smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCO)CC1 ZINC000011483813 342841132 /nfs/dbraw/zinc/84/11/32/342841132.db2.gz IXZPISWXBDZRCR-UHFFFAOYSA-N 2 1 243.351 -0.489 20 0 BBADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)CCO)CC1 ZINC000011483813 342841131 /nfs/dbraw/zinc/84/11/31/342841131.db2.gz IXZPISWXBDZRCR-UHFFFAOYSA-N 2 1 243.351 -0.489 20 0 BBADMP Cc1[nH+]ccn1CC(=O)N1CC[NH2+]CC1 ZINC000019478027 180229915 /nfs/dbraw/zinc/22/99/15/180229915.db2.gz SAEMYLXVWBGVQU-UHFFFAOYSA-N 2 1 208.265 -0.377 20 0 BBADMP C[NH+](C)CCCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000019504428 386230404 /nfs/dbraw/zinc/23/04/04/386230404.db2.gz APGPZIAYVJSIOB-QMMMGPOBSA-N 2 1 217.338 -0.283 20 0 BBADMP C[NH+](C)CCCNC(=O)[C@H]1CSC[NH2+]1 ZINC000019504429 385266758 /nfs/dbraw/zinc/26/67/58/385266758.db2.gz APGPZIAYVJSIOB-MRVPVSSYSA-N 2 1 217.338 -0.283 20 0 BBADMP C[NH+](C)CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000019506412 385270915 /nfs/dbraw/zinc/27/09/15/385270915.db2.gz ZTFVNBMPRFEDAI-ZETCQYMHSA-N 2 1 203.311 -0.673 20 0 BBADMP C[NH+](C)CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000019506414 385269026 /nfs/dbraw/zinc/26/90/26/385269026.db2.gz ZTFVNBMPRFEDAI-SSDOTTSWSA-N 2 1 203.311 -0.673 20 0 BBADMP C[N@@H+](CCC[NH3+])CCN1CCOCC1 ZINC000019840666 487586913 /nfs/dbraw/zinc/58/69/13/487586913.db2.gz OOGPDSBUYANLLS-UHFFFAOYSA-N 2 1 201.314 -0.401 20 0 BBADMP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC000019843097 385332439 /nfs/dbraw/zinc/33/24/39/385332439.db2.gz UCSVWHPUATVGGK-VIFPVBQESA-N 2 1 211.309 -0.064 20 0 BBADMP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC000019843097 385332434 /nfs/dbraw/zinc/33/24/34/385332434.db2.gz UCSVWHPUATVGGK-VIFPVBQESA-N 2 1 211.309 -0.064 20 0 BBADMP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC000019843099 385332533 /nfs/dbraw/zinc/33/25/33/385332533.db2.gz UCSVWHPUATVGGK-SECBINFHSA-N 2 1 211.309 -0.064 20 0 BBADMP [NH3+]C[C@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC000019843099 385332530 /nfs/dbraw/zinc/33/25/30/385332530.db2.gz UCSVWHPUATVGGK-SECBINFHSA-N 2 1 211.309 -0.064 20 0 BBADMP [NH3+]C[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000019843442 386787060 /nfs/dbraw/zinc/78/70/60/386787060.db2.gz NHLTVVWOUCVWBB-LBPRGKRZSA-N 2 1 227.352 -0.011 20 0 BBADMP [NH3+]C[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000019843443 386787421 /nfs/dbraw/zinc/78/74/21/386787421.db2.gz NHLTVVWOUCVWBB-GFCCVEGCSA-N 2 1 227.352 -0.011 20 0 BBADMP C[NH+]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000019965444 173067220 /nfs/dbraw/zinc/06/72/20/173067220.db2.gz SGPMJJYWFXUUBP-LLVKDONJSA-N 2 1 241.335 -0.471 20 0 BBADMP C[NH+]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000019965445 173066887 /nfs/dbraw/zinc/06/68/87/173066887.db2.gz SGPMJJYWFXUUBP-NSHDSACASA-N 2 1 241.335 -0.471 20 0 BBADMP C[C@@H](C[NH+]1CCOCC1)N1CC[NH2+]CC1 ZINC000020179835 357313112 /nfs/dbraw/zinc/31/31/12/357313112.db2.gz OEJZNFGIFZYNSM-NSHDSACASA-N 2 1 213.325 -0.388 20 0 BBADMP C[C@H](C[NH+]1CCOCC1)N1CC[NH2+]CC1 ZINC000020179837 357313637 /nfs/dbraw/zinc/31/36/37/357313637.db2.gz OEJZNFGIFZYNSM-LLVKDONJSA-N 2 1 213.325 -0.388 20 0 BBADMP C[NH+]1CCC([NH2+]CCOCCO)CC1 ZINC000020198529 347413044 /nfs/dbraw/zinc/41/30/44/347413044.db2.gz ZLUQDVBYWVDIQM-UHFFFAOYSA-N 2 1 202.298 -0.321 20 0 BBADMP C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000020217822 173012075 /nfs/dbraw/zinc/01/20/75/173012075.db2.gz ZXIGMKRNIFWUKD-JTQLQIEISA-N 2 1 211.309 -0.098 20 0 BBADMP C[N@H+]1CCCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000020217823 173013900 /nfs/dbraw/zinc/01/39/00/173013900.db2.gz ZXIGMKRNIFWUKD-SNVBAGLBSA-N 2 1 211.309 -0.098 20 0 BBADMP CC[NH+]1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000020269870 385195916 /nfs/dbraw/zinc/19/59/16/385195916.db2.gz NXYDDJHKQIDHRO-UHFFFAOYSA-N 2 1 240.351 -0.944 20 0 BBADMP C[NH+]1CCN(C(=O)CCN2CC[NH2+]CC2)CC1 ZINC000020270022 173067882 /nfs/dbraw/zinc/06/78/82/173067882.db2.gz OBFBSPNRFOVVMB-UHFFFAOYSA-N 2 1 240.351 -0.944 20 0 BBADMP COCCCNC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000020420008 487575487 /nfs/dbraw/zinc/57/54/87/487575487.db2.gz NEECFLQNGASCMX-SNVBAGLBSA-N 2 1 231.340 -0.192 20 0 BBADMP COCCCNC(=O)[C@@H](C)[N@H+](C)CCC[NH3+] ZINC000020420008 487575485 /nfs/dbraw/zinc/57/54/85/487575485.db2.gz NEECFLQNGASCMX-SNVBAGLBSA-N 2 1 231.340 -0.192 20 0 BBADMP COCCCNC(=O)[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000020420009 487575637 /nfs/dbraw/zinc/57/56/37/487575637.db2.gz NEECFLQNGASCMX-JTQLQIEISA-N 2 1 231.340 -0.192 20 0 BBADMP COCCCNC(=O)[C@H](C)[N@H+](C)CCC[NH3+] ZINC000020420009 487575634 /nfs/dbraw/zinc/57/56/34/487575634.db2.gz NEECFLQNGASCMX-JTQLQIEISA-N 2 1 231.340 -0.192 20 0 BBADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000020420028 371280666 /nfs/dbraw/zinc/28/06/66/371280666.db2.gz AHJBGOWXDUUAHQ-MRVPVSSYSA-N 2 1 230.312 -0.499 20 0 BBADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCC[NH3+] ZINC000020420028 371280660 /nfs/dbraw/zinc/28/06/60/371280660.db2.gz AHJBGOWXDUUAHQ-MRVPVSSYSA-N 2 1 230.312 -0.499 20 0 BBADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000020420029 371280309 /nfs/dbraw/zinc/28/03/09/371280309.db2.gz AHJBGOWXDUUAHQ-QMMMGPOBSA-N 2 1 230.312 -0.499 20 0 BBADMP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCC[NH3+] ZINC000020420029 371280303 /nfs/dbraw/zinc/28/03/03/371280303.db2.gz AHJBGOWXDUUAHQ-QMMMGPOBSA-N 2 1 230.312 -0.499 20 0 BBADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000020420034 371280999 /nfs/dbraw/zinc/28/09/99/371280999.db2.gz GKSIOSLTMPOQET-SSDOTTSWSA-N 2 1 216.285 -0.889 20 0 BBADMP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCC[NH3+] ZINC000020420034 371280995 /nfs/dbraw/zinc/28/09/95/371280995.db2.gz GKSIOSLTMPOQET-SSDOTTSWSA-N 2 1 216.285 -0.889 20 0 BBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000020420035 371281020 /nfs/dbraw/zinc/28/10/20/371281020.db2.gz GKSIOSLTMPOQET-ZETCQYMHSA-N 2 1 216.285 -0.889 20 0 BBADMP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCC[NH3+] ZINC000020420035 371281016 /nfs/dbraw/zinc/28/10/16/371281016.db2.gz GKSIOSLTMPOQET-ZETCQYMHSA-N 2 1 216.285 -0.889 20 0 BBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000020434387 343305955 /nfs/dbraw/zinc/30/59/55/343305955.db2.gz GXIKQGHXZNNABY-MXWKQRLJSA-N 2 1 241.335 -0.690 20 0 BBADMP C[N@H+]1CCCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000020521353 173011329 /nfs/dbraw/zinc/01/13/29/173011329.db2.gz USWTTYGCEZOTAM-UHFFFAOYSA-N 2 1 240.351 -0.944 20 0 BBADMP CC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000022143464 342789683 /nfs/dbraw/zinc/78/96/83/342789683.db2.gz WWSVIUZYMZMLRI-UHFFFAOYSA-N 2 1 226.324 -0.351 20 0 BBADMP [NH3+][C@@H]1CCN(CCC[NH+]2CCOCC2)C1 ZINC000031992601 342796038 /nfs/dbraw/zinc/79/60/38/342796038.db2.gz MDKWJUZDIMSVCP-LLVKDONJSA-N 2 1 213.325 -0.258 20 0 BBADMP [NH3+][C@H]1CCN(CCC[NH+]2CCOCC2)C1 ZINC000031992603 342795977 /nfs/dbraw/zinc/79/59/77/342795977.db2.gz MDKWJUZDIMSVCP-NSHDSACASA-N 2 1 213.325 -0.258 20 0 BBADMP O=C([C@@H]1CSC[NH2+]1)N1CC[NH2+]CC1 ZINC000032021136 372136403 /nfs/dbraw/zinc/13/64/03/372136403.db2.gz XEQGWRDHMPBTHU-ZETCQYMHSA-N 2 1 201.295 -0.919 20 0 BBADMP O=C([C@H]1CSC[NH2+]1)N1CC[NH2+]CC1 ZINC000032021137 343228791 /nfs/dbraw/zinc/22/87/91/343228791.db2.gz XEQGWRDHMPBTHU-SSDOTTSWSA-N 2 1 201.295 -0.919 20 0 BBADMP [NH3+]C1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000032021269 181343669 /nfs/dbraw/zinc/34/36/69/181343669.db2.gz LPFPKXTZFFDDRA-MRVPVSSYSA-N 2 1 215.322 -0.401 20 0 BBADMP C[NH+](C)CCNC(=S)N1CC[NH+](C)CC1 ZINC000035082021 645923006 /nfs/dbraw/zinc/92/30/06/645923006.db2.gz BBAWVNMXKAHCOP-UHFFFAOYSA-N 2 1 230.381 -0.330 20 0 BBADMP [NH3+]CCCCCC(=O)N1CC[NH+](CCO)CC1 ZINC000035609640 181373517 /nfs/dbraw/zinc/37/35/17/181373517.db2.gz VJFMRZWMBIQIJQ-UHFFFAOYSA-N 2 1 243.351 -0.358 20 0 BBADMP O=C([C@@H]1CSC[NH2+]1)N1CCC[NH2+]CC1 ZINC000035738383 342757953 /nfs/dbraw/zinc/75/79/53/342757953.db2.gz YBNLVFFWFZJJMO-QMMMGPOBSA-N 2 1 215.322 -0.529 20 0 BBADMP O=C([C@H]1CSC[NH2+]1)N1CCC[NH2+]CC1 ZINC000035738384 342758045 /nfs/dbraw/zinc/75/80/45/342758045.db2.gz YBNLVFFWFZJJMO-MRVPVSSYSA-N 2 1 215.322 -0.529 20 0 BBADMP CC(C)[NH+]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000036190102 384319385 /nfs/dbraw/zinc/31/93/85/384319385.db2.gz WDAJMRQSOADLSR-QWRGUYRKSA-N 2 1 241.335 -0.738 20 0 BBADMP CC(C)[NH+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000036190104 187799986 /nfs/dbraw/zinc/79/99/86/187799986.db2.gz WDAJMRQSOADLSR-WDEREUQCSA-N 2 1 241.335 -0.738 20 0 BBADMP CC(C)[NH+]1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000036190107 344332107 /nfs/dbraw/zinc/33/21/07/344332107.db2.gz WDAJMRQSOADLSR-MNOVXSKESA-N 2 1 241.335 -0.738 20 0 BBADMP CC(C)[NH+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000036190110 191052843 /nfs/dbraw/zinc/05/28/43/191052843.db2.gz WDAJMRQSOADLSR-GHMZBOCLSA-N 2 1 241.335 -0.738 20 0 BBADMP C[N@@H+](CCN1C(=O)CCC1=O)C1CC[NH2+]CC1 ZINC000036300348 342809071 /nfs/dbraw/zinc/80/90/71/342809071.db2.gz LXMJLPQTJJTILT-UHFFFAOYSA-N 2 1 239.319 -0.181 20 0 BBADMP C[N@H+](CCN1C(=O)CCC1=O)C1CC[NH2+]CC1 ZINC000036300348 342809070 /nfs/dbraw/zinc/80/90/70/342809070.db2.gz LXMJLPQTJJTILT-UHFFFAOYSA-N 2 1 239.319 -0.181 20 0 BBADMP CNC(=O)NC(=O)CC[N@@H+](C)C1CC[NH2+]CC1 ZINC000036300350 173285927 /nfs/dbraw/zinc/28/59/27/173285927.db2.gz GGXHHNOKXVKHSV-UHFFFAOYSA-N 2 1 242.323 -0.484 20 0 BBADMP CC[C@H]([NH3+])C(=O)NCCC[NH+]1CCOCC1 ZINC000036871587 387558005 /nfs/dbraw/zinc/55/80/05/387558005.db2.gz VVBVWFRFPUSCOC-JTQLQIEISA-N 2 1 229.324 -0.438 20 0 BBADMP CC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCOCC1 ZINC000036871588 387557559 /nfs/dbraw/zinc/55/75/59/387557559.db2.gz VVBVWFRFPUSCOC-SNVBAGLBSA-N 2 1 229.324 -0.438 20 0 BBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000036907014 342994092 /nfs/dbraw/zinc/99/40/92/342994092.db2.gz GXIKQGHXZNNABY-VWYCJHECSA-N 2 1 241.335 -0.690 20 0 BBADMP [NH3+]C[C@@H]1CC[N@@H+](CCCN2CCOCC2)C1 ZINC000036964092 387558684 /nfs/dbraw/zinc/55/86/84/387558684.db2.gz SNNAXVJAHFWIQO-LBPRGKRZSA-N 2 1 227.352 -0.011 20 0 BBADMP [NH3+]C[C@H]1CC[N@@H+](CCCN2CCOCC2)C1 ZINC000036964093 385235355 /nfs/dbraw/zinc/23/53/55/385235355.db2.gz SNNAXVJAHFWIQO-GFCCVEGCSA-N 2 1 227.352 -0.011 20 0 BBADMP C[NH2+]CC(=O)NCCC[NH+]1CCOCC1 ZINC000036964107 173329559 /nfs/dbraw/zinc/32/95/59/173329559.db2.gz BVOPSKVOEYHJRY-UHFFFAOYSA-N 2 1 215.297 -0.956 20 0 BBADMP C[NH2+]CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037023873 173331849 /nfs/dbraw/zinc/33/18/49/173331849.db2.gz XJPRSTSLSDBNDD-NXEZZACHSA-N 2 1 211.309 -0.051 20 0 BBADMP C[NH2+]CC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037023875 173333097 /nfs/dbraw/zinc/33/30/97/173333097.db2.gz XJPRSTSLSDBNDD-VHSXEESVSA-N 2 1 211.309 -0.051 20 0 BBADMP Cc1[nH+]ccn1CC(=O)N(C)CCC[NH3+] ZINC000037050490 398300526 /nfs/dbraw/zinc/30/05/26/398300526.db2.gz OCLHVZKSAANSNY-UHFFFAOYSA-N 2 1 210.281 -0.001 20 0 BBADMP C[NH+]1CCC(NC(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000037267595 342926776 /nfs/dbraw/zinc/92/67/76/342926776.db2.gz GIQZILUAYYBWLW-VIFPVBQESA-N 2 1 229.349 -0.141 20 0 BBADMP C[NH+]1CCC(NC(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000037267597 342926755 /nfs/dbraw/zinc/92/67/55/342926755.db2.gz GIQZILUAYYBWLW-SECBINFHSA-N 2 1 229.349 -0.141 20 0 BBADMP C[NH2+]CCN(C)CC[NH+]1CCOCC1 ZINC000037269484 173353160 /nfs/dbraw/zinc/35/31/60/173353160.db2.gz URCOOOFZKYOLEZ-UHFFFAOYSA-N 2 1 201.314 -0.530 20 0 BBADMP O=C(NCCC[NH+]1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000037389631 182169719 /nfs/dbraw/zinc/16/97/19/182169719.db2.gz PCQPMKFXQRYCQP-LLVKDONJSA-N 2 1 241.335 -0.423 20 0 BBADMP O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000037389633 182168266 /nfs/dbraw/zinc/16/82/66/182168266.db2.gz PCQPMKFXQRYCQP-NSHDSACASA-N 2 1 241.335 -0.423 20 0 BBADMP C[NH+]1CCN(C(=O)COC2CC[NH2+]CC2)CC1 ZINC000037390678 398316912 /nfs/dbraw/zinc/31/69/12/398316912.db2.gz GUAHZYPAMOWMAR-UHFFFAOYSA-N 2 1 241.335 -0.471 20 0 BBADMP [NH3+]CCC(=O)NCCC[NH+]1CCOCC1 ZINC000037393577 181367770 /nfs/dbraw/zinc/36/77/70/181367770.db2.gz DNQCLOBKJXPQRC-UHFFFAOYSA-N 2 1 215.297 -0.826 20 0 BBADMP CC(C)[C@H]([NH3+])C(=O)NCCC[NH+]1CCOCC1 ZINC000037393607 188325026 /nfs/dbraw/zinc/32/50/26/188325026.db2.gz GMGXIBJKIGNFOA-NSHDSACASA-N 2 1 243.351 -0.192 20 0 BBADMP CC(C)[C@@H]([NH3+])C(=O)NCCC[NH+]1CCOCC1 ZINC000037393608 387563391 /nfs/dbraw/zinc/56/33/91/387563391.db2.gz GMGXIBJKIGNFOA-LLVKDONJSA-N 2 1 243.351 -0.192 20 0 BBADMP [NH3+]CCCC(=O)NCCC[NH+]1CCOCC1 ZINC000037393611 181371574 /nfs/dbraw/zinc/37/15/74/181371574.db2.gz PUVJTUCPSJWUPQ-UHFFFAOYSA-N 2 1 229.324 -0.436 20 0 BBADMP C[C@H]([NH3+])CC(=O)NCCC[NH+]1CCOCC1 ZINC000037476116 346696366 /nfs/dbraw/zinc/69/63/66/346696366.db2.gz FNOJEABMXHDQEW-JTQLQIEISA-N 2 1 229.324 -0.438 20 0 BBADMP C[C@@H]([NH3+])CC(=O)NCCC[NH+]1CCOCC1 ZINC000037476117 385293830 /nfs/dbraw/zinc/29/38/30/385293830.db2.gz FNOJEABMXHDQEW-SNVBAGLBSA-N 2 1 229.324 -0.438 20 0 BBADMP C[N@H+]1CCCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000037476915 173011731 /nfs/dbraw/zinc/01/17/31/173011731.db2.gz VISLHTOKAQBUEU-UHFFFAOYSA-N 2 1 211.309 -0.098 20 0 BBADMP CC(C)[NH2+]CC(=O)N1CC[NH+](CCO)CC1 ZINC000037477137 488186796 /nfs/dbraw/zinc/18/67/96/488186796.db2.gz TYKBMAZKMZGSOM-UHFFFAOYSA-N 2 1 229.324 -0.879 20 0 BBADMP C[NH2+]CCCC(=O)N1CC[NH+](CCO)CC1 ZINC000037477704 173343653 /nfs/dbraw/zinc/34/36/53/173343653.db2.gz MODXCUUNLIFTHU-UHFFFAOYSA-N 2 1 229.324 -0.878 20 0 BBADMP C[NH+]1CCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000037478032 173067659 /nfs/dbraw/zinc/06/76/59/173067659.db2.gz JFLGRBRZEAIPSD-UHFFFAOYSA-N 2 1 211.309 -0.098 20 0 BBADMP C[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000037482544 176291477 /nfs/dbraw/zinc/29/14/77/176291477.db2.gz ZLNOTIUNWPFPPO-LLVKDONJSA-N 2 1 213.325 -0.388 20 0 BBADMP C[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000037482544 176291476 /nfs/dbraw/zinc/29/14/76/176291476.db2.gz ZLNOTIUNWPFPPO-LLVKDONJSA-N 2 1 213.325 -0.388 20 0 BBADMP C[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000037482545 177250930 /nfs/dbraw/zinc/25/09/30/177250930.db2.gz ZLNOTIUNWPFPPO-NSHDSACASA-N 2 1 213.325 -0.388 20 0 BBADMP C[C@H]1C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000037482545 177250929 /nfs/dbraw/zinc/25/09/29/177250929.db2.gz ZLNOTIUNWPFPPO-NSHDSACASA-N 2 1 213.325 -0.388 20 0 BBADMP C[C@@H]1COCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000037482585 176335484 /nfs/dbraw/zinc/33/54/84/176335484.db2.gz AGLNAKHFTDTYEY-LLVKDONJSA-N 2 1 213.325 -0.388 20 0 BBADMP C[C@@H]1COCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000037482585 176335483 /nfs/dbraw/zinc/33/54/83/176335483.db2.gz AGLNAKHFTDTYEY-LLVKDONJSA-N 2 1 213.325 -0.388 20 0 BBADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000037484876 173145863 /nfs/dbraw/zinc/14/58/63/173145863.db2.gz XPAMOADRKUVGPW-BDAKNGLRSA-N 2 1 229.349 -0.283 20 0 BBADMP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000037484876 173145861 /nfs/dbraw/zinc/14/58/61/173145861.db2.gz XPAMOADRKUVGPW-BDAKNGLRSA-N 2 1 229.349 -0.283 20 0 BBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000037484877 173116331 /nfs/dbraw/zinc/11/63/31/173116331.db2.gz XPAMOADRKUVGPW-IUCAKERBSA-N 2 1 229.349 -0.283 20 0 BBADMP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000037484877 173116330 /nfs/dbraw/zinc/11/63/30/173116330.db2.gz XPAMOADRKUVGPW-IUCAKERBSA-N 2 1 229.349 -0.283 20 0 BBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CSCN2)C1 ZINC000037484877 173116329 /nfs/dbraw/zinc/11/63/29/173116329.db2.gz XPAMOADRKUVGPW-IUCAKERBSA-N 2 1 229.349 -0.283 20 0 BBADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000037484878 173145504 /nfs/dbraw/zinc/14/55/04/173145504.db2.gz KOORCHOBTFNSLO-ZJUUUORDSA-N 2 1 211.309 -0.194 20 0 BBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000037484879 173114489 /nfs/dbraw/zinc/11/44/89/173114489.db2.gz KOORCHOBTFNSLO-UWVGGRQHSA-N 2 1 211.309 -0.194 20 0 BBADMP C[N@H+]1CC[C@H](CNC(=O)C[NH2+]C2CC2)C1 ZINC000037484926 358073214 /nfs/dbraw/zinc/07/32/14/358073214.db2.gz WDUMQEPJPSAGNG-SECBINFHSA-N 2 1 211.309 -0.194 20 0 BBADMP C[N@H+]1CC[C@@H](CNC(=O)C[NH2+]C2CC2)C1 ZINC000037484927 358072529 /nfs/dbraw/zinc/07/25/29/358072529.db2.gz WDUMQEPJPSAGNG-VIFPVBQESA-N 2 1 211.309 -0.194 20 0 BBADMP [NH3+]CCC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037485357 181367781 /nfs/dbraw/zinc/36/77/81/181367781.db2.gz CRKOMXACROPLEU-SECBINFHSA-N 2 1 211.309 -0.064 20 0 BBADMP [NH3+]CCC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037485358 181367869 /nfs/dbraw/zinc/36/78/69/181367869.db2.gz CRKOMXACROPLEU-VIFPVBQESA-N 2 1 211.309 -0.064 20 0 BBADMP C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037485359 342938009 /nfs/dbraw/zinc/93/80/09/342938009.db2.gz JRWVFUCAPOZWQX-IUCAKERBSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037485360 342937942 /nfs/dbraw/zinc/93/79/42/342937942.db2.gz JRWVFUCAPOZWQX-BDAKNGLRSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037485361 342937990 /nfs/dbraw/zinc/93/79/90/342937990.db2.gz JRWVFUCAPOZWQX-DTWKUNHWSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037485362 342938034 /nfs/dbraw/zinc/93/80/34/342938034.db2.gz JRWVFUCAPOZWQX-RKDXNWHRSA-N 2 1 211.309 -0.066 20 0 BBADMP C[NH2+]CC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037485365 173330615 /nfs/dbraw/zinc/33/06/15/173330615.db2.gz HKKSKAFVSCQWHI-VIFPVBQESA-N 2 1 211.309 -0.194 20 0 BBADMP C[NH2+]CC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037485366 173329895 /nfs/dbraw/zinc/32/98/95/173329895.db2.gz HKKSKAFVSCQWHI-SECBINFHSA-N 2 1 211.309 -0.194 20 0 BBADMP CCC[N@@H+](CC(=O)NC(N)=O)C1CC[NH2+]CC1 ZINC000037539263 169093876 /nfs/dbraw/zinc/09/38/76/169093876.db2.gz JEROWOSGHOBJQE-UHFFFAOYSA-N 2 1 242.323 -0.355 20 0 BBADMP CCC[N@H+](CC(=O)NC(N)=O)C1CC[NH2+]CC1 ZINC000037539263 169093875 /nfs/dbraw/zinc/09/38/75/169093875.db2.gz JEROWOSGHOBJQE-UHFFFAOYSA-N 2 1 242.323 -0.355 20 0 BBADMP O=C(C[NH2+]C1CC1)NCCC[NH+]1CCOCC1 ZINC000037609158 358083369 /nfs/dbraw/zinc/08/33/69/358083369.db2.gz CZSLLTZSIGJESU-UHFFFAOYSA-N 2 1 241.335 -0.423 20 0 BBADMP CC(C)[NH2+]CC(=O)NCCC[NH+]1CCOCC1 ZINC000037609802 487560164 /nfs/dbraw/zinc/56/01/64/487560164.db2.gz DROFBLRHKHBIRD-UHFFFAOYSA-N 2 1 243.351 -0.177 20 0 BBADMP C[NH2+]CCCC(=O)NCCC[NH+]1CCOCC1 ZINC000037610722 173343930 /nfs/dbraw/zinc/34/39/30/173343930.db2.gz LMUJUJMYMDGPNT-UHFFFAOYSA-N 2 1 243.351 -0.176 20 0 BBADMP O=C(CC[NH2+]C1CC1)N1CC[NH+](CCO)CC1 ZINC000037612204 358083276 /nfs/dbraw/zinc/08/32/76/358083276.db2.gz KLGKPCADUNOUCB-UHFFFAOYSA-N 2 1 241.335 -0.735 20 0 BBADMP O=C(C[NH2+]CC1CC1)N1CC[NH+](CCO)CC1 ZINC000037612205 344552653 /nfs/dbraw/zinc/55/26/53/344552653.db2.gz CJLTVZPUFOORAZ-UHFFFAOYSA-N 2 1 241.335 -0.878 20 0 BBADMP CC(C)[NH2+]CCC(=O)N1CC[NH+](CCO)CC1 ZINC000037618303 167099801 /nfs/dbraw/zinc/09/98/01/167099801.db2.gz COKZKLKUACKWMR-UHFFFAOYSA-N 2 1 243.351 -0.489 20 0 BBADMP O=C([C@@H]1CSC[NH2+]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812569 344590674 /nfs/dbraw/zinc/59/06/74/344590674.db2.gz PMKSUOBZDPXDFK-ZJUUUORDSA-N 2 1 241.360 -0.045 20 0 BBADMP O=C([C@@H]1CSCN1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812569 344590668 /nfs/dbraw/zinc/59/06/68/344590668.db2.gz PMKSUOBZDPXDFK-ZJUUUORDSA-N 2 1 241.360 -0.045 20 0 BBADMP O=C([C@@H]1CSC[NH2+]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000037812570 344590910 /nfs/dbraw/zinc/59/09/10/344590910.db2.gz PMKSUOBZDPXDFK-UWVGGRQHSA-N 2 1 241.360 -0.045 20 0 BBADMP O=C([C@@H]1CSCN1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000037812570 344590905 /nfs/dbraw/zinc/59/09/05/344590905.db2.gz PMKSUOBZDPXDFK-UWVGGRQHSA-N 2 1 241.360 -0.045 20 0 BBADMP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812633 344590963 /nfs/dbraw/zinc/59/09/63/344590963.db2.gz RCZFMOCBPZKDKE-VWYCJHECSA-N 2 1 239.319 -0.984 20 0 BBADMP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000037812634 344590637 /nfs/dbraw/zinc/59/06/37/344590637.db2.gz RCZFMOCBPZKDKE-DCAQKATOSA-N 2 1 239.319 -0.984 20 0 BBADMP C[NH2+]CC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000037812741 173326565 /nfs/dbraw/zinc/32/65/65/173326565.db2.gz GSXZKCIMEXDZLC-SNVBAGLBSA-N 2 1 211.309 -0.098 20 0 BBADMP C[NH2+]CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000037812741 173326564 /nfs/dbraw/zinc/32/65/64/173326564.db2.gz GSXZKCIMEXDZLC-SNVBAGLBSA-N 2 1 211.309 -0.098 20 0 BBADMP C[NH2+]CC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000037812742 173326461 /nfs/dbraw/zinc/32/64/61/173326461.db2.gz GSXZKCIMEXDZLC-JTQLQIEISA-N 2 1 211.309 -0.098 20 0 BBADMP C[NH2+]CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000037812742 173326459 /nfs/dbraw/zinc/32/64/59/173326459.db2.gz GSXZKCIMEXDZLC-JTQLQIEISA-N 2 1 211.309 -0.098 20 0 BBADMP C[C@H]([NH3+])C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000037816800 342953652 /nfs/dbraw/zinc/95/36/52/342953652.db2.gz TUSRBNYVOFWFJC-VIFPVBQESA-N 2 1 211.309 -0.112 20 0 BBADMP C[C@@H]([NH3+])C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000037816801 342953584 /nfs/dbraw/zinc/95/35/84/342953584.db2.gz TUSRBNYVOFWFJC-SECBINFHSA-N 2 1 211.309 -0.112 20 0 BBADMP COCC[N@H+]1CCCN(C(=O)C[NH3+])CC1 ZINC000037826848 174307089 /nfs/dbraw/zinc/30/70/89/174307089.db2.gz WIOWTYLRMWWTES-UHFFFAOYSA-N 2 1 215.297 -0.874 20 0 BBADMP COCC[N@H+]1CCCN(C(=O)CC[NH3+])CC1 ZINC000037826856 358095058 /nfs/dbraw/zinc/09/50/58/358095058.db2.gz OJIOBCNCVRPGFZ-UHFFFAOYSA-N 2 1 229.324 -0.484 20 0 BBADMP COCC[N@H+]1CCCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000037826861 174306800 /nfs/dbraw/zinc/30/68/00/174306800.db2.gz NOHZCSXWFARZCP-JTQLQIEISA-N 2 1 229.324 -0.486 20 0 BBADMP COCC[N@H+]1CCCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000037826862 174306364 /nfs/dbraw/zinc/30/63/64/174306364.db2.gz NOHZCSXWFARZCP-SNVBAGLBSA-N 2 1 229.324 -0.486 20 0 BBADMP COCC[N@H+]1CCCN(C(=O)CCC[NH3+])CC1 ZINC000037826870 174307233 /nfs/dbraw/zinc/30/72/33/174307233.db2.gz AYVIDWFHEGHLPT-UHFFFAOYSA-N 2 1 243.351 -0.094 20 0 BBADMP C[NH2+]CC(=O)N1CCC[N@@H+](CCOC)CC1 ZINC000037826873 173326448 /nfs/dbraw/zinc/32/64/48/173326448.db2.gz XWPZSROZNARAFW-UHFFFAOYSA-N 2 1 229.324 -0.614 20 0 BBADMP CC[C@H]([NH3+])C(=O)N1CCC[N@@H+](CCOC)CC1 ZINC000037826879 388648042 /nfs/dbraw/zinc/64/80/42/388648042.db2.gz FKQNMKJDLJLQMO-NSHDSACASA-N 2 1 243.351 -0.096 20 0 BBADMP CC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](CCOC)CC1 ZINC000037826880 398334778 /nfs/dbraw/zinc/33/47/78/398334778.db2.gz FKQNMKJDLJLQMO-LLVKDONJSA-N 2 1 243.351 -0.096 20 0 BBADMP COCC[N@H+]1CCCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000037826885 174307208 /nfs/dbraw/zinc/30/72/08/174307208.db2.gz XWKGUBWTXUCYSO-NSHDSACASA-N 2 1 243.351 -0.096 20 0 BBADMP COCC[N@H+]1CCCN(C(=O)C[C@@H](C)[NH3+])CC1 ZINC000037826886 174307325 /nfs/dbraw/zinc/30/73/25/174307325.db2.gz XWKGUBWTXUCYSO-LLVKDONJSA-N 2 1 243.351 -0.096 20 0 BBADMP C[NH+]1CCC([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC000037887414 323376010 /nfs/dbraw/zinc/37/60/10/323376010.db2.gz FSVJNUMFQCTAGO-LBPRGKRZSA-N 2 1 238.335 -0.072 20 0 BBADMP C[NH+]1CCC([NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC000037887415 323375994 /nfs/dbraw/zinc/37/59/94/323375994.db2.gz FSVJNUMFQCTAGO-GFCCVEGCSA-N 2 1 238.335 -0.072 20 0 BBADMP NC(=O)CC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037904968 343002430 /nfs/dbraw/zinc/00/24/30/343002430.db2.gz AVJXOACIQBPOOW-SECBINFHSA-N 2 1 211.309 -0.064 20 0 BBADMP NC(=O)CC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037904969 358097557 /nfs/dbraw/zinc/09/75/57/358097557.db2.gz AVJXOACIQBPOOW-VIFPVBQESA-N 2 1 211.309 -0.064 20 0 BBADMP C[N@H+](CC(=O)N1CC[NH2+]CC1)CC1CC1 ZINC000037925609 343008929 /nfs/dbraw/zinc/00/89/29/343008929.db2.gz MMBRULPHDUGVEF-UHFFFAOYSA-N 2 1 211.309 -0.240 20 0 BBADMP CN(CC(=O)N1CCNCC1)Cc1cccnc1 ZINC000038031034 350300185 /nfs/dbraw/zinc/30/01/85/350300185.db2.gz DLLLHEKEBNHBPY-UHFFFAOYSA-N 2 1 248.330 -0.055 20 0 BBADMP CN(CC(=O)N1CCNCC1)Cc1ccncc1 ZINC000038031038 350300226 /nfs/dbraw/zinc/30/02/26/350300226.db2.gz CFUMBIFQNKAGFG-UHFFFAOYSA-N 2 1 248.330 -0.055 20 0 BBADMP CN(CC(=O)N1CCNCC1)Cc1ccccn1 ZINC000038031084 350300213 /nfs/dbraw/zinc/30/02/13/350300213.db2.gz IQGCMVQAJDZJCX-UHFFFAOYSA-N 2 1 248.330 -0.055 20 0 BBADMP COCCC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031394 174215533 /nfs/dbraw/zinc/21/55/33/174215533.db2.gz RGXKFMHSQFYJHQ-UHFFFAOYSA-N 2 1 229.324 -0.614 20 0 BBADMP CCOCC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031446 170388603 /nfs/dbraw/zinc/38/86/03/170388603.db2.gz ALWONAVIOMPPOB-UHFFFAOYSA-N 2 1 229.324 -0.614 20 0 BBADMP CCOCC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031446 170388602 /nfs/dbraw/zinc/38/86/02/170388602.db2.gz ALWONAVIOMPPOB-UHFFFAOYSA-N 2 1 229.324 -0.614 20 0 BBADMP C[C@@H](CNC(=O)[C@@H]1CSC[NH2+]1)[NH+](C)C ZINC000038089216 712807000 /nfs/dbraw/zinc/80/70/00/712807000.db2.gz NLVYDDVGRYBTPE-YUMQZZPRSA-N 2 1 217.338 -0.285 20 0 BBADMP C[C@H](CNC(=O)[C@@H]1CSC[NH2+]1)[NH+](C)C ZINC000038089217 712807048 /nfs/dbraw/zinc/80/70/48/712807048.db2.gz NLVYDDVGRYBTPE-SFYZADRCSA-N 2 1 217.338 -0.285 20 0 BBADMP C[C@@H](CNC(=O)[C@H]1CSC[NH2+]1)[NH+](C)C ZINC000038089218 712806602 /nfs/dbraw/zinc/80/66/02/712806602.db2.gz NLVYDDVGRYBTPE-JGVFFNPUSA-N 2 1 217.338 -0.285 20 0 BBADMP C[C@H](CNC(=O)[C@H]1CSC[NH2+]1)[NH+](C)C ZINC000038089219 712807087 /nfs/dbraw/zinc/80/70/87/712807087.db2.gz NLVYDDVGRYBTPE-HTQZYQBOSA-N 2 1 217.338 -0.285 20 0 BBADMP CC[NH+]1CCN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000040630832 169985786 /nfs/dbraw/zinc/98/57/86/169985786.db2.gz KXHKGXUMLXOPNI-WDEREUQCSA-N 2 1 241.335 -0.473 20 0 BBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000040631109 358244126 /nfs/dbraw/zinc/24/41/26/358244126.db2.gz CUCRVGYTRVEFJN-WDEREUQCSA-N 2 1 241.335 -0.473 20 0 BBADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000040673623 173044671 /nfs/dbraw/zinc/04/46/71/173044671.db2.gz LIFQPHRHZKMUQR-UWVGGRQHSA-N 2 1 211.309 -0.051 20 0 BBADMP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000040673624 173021460 /nfs/dbraw/zinc/02/14/60/173021460.db2.gz LIFQPHRHZKMUQR-ZJUUUORDSA-N 2 1 211.309 -0.051 20 0 BBADMP C[N@H+]1CCC[C@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000040673687 410884997 /nfs/dbraw/zinc/88/49/97/410884997.db2.gz ZUZVLBZMZPWEKG-NSHDSACASA-N 2 1 240.351 -0.898 20 0 BBADMP C[N@H+]1CCC[C@@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000040673688 410886637 /nfs/dbraw/zinc/88/66/37/410886637.db2.gz ZUZVLBZMZPWEKG-LLVKDONJSA-N 2 1 240.351 -0.898 20 0 BBADMP C[N@H+]1CCC[C@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000040673735 173045349 /nfs/dbraw/zinc/04/53/49/173045349.db2.gz AQPBSCQFYNEHAI-JTQLQIEISA-N 2 1 211.309 -0.051 20 0 BBADMP C[N@H+]1CCC[C@@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000040673736 173021240 /nfs/dbraw/zinc/02/12/40/173021240.db2.gz AQPBSCQFYNEHAI-SNVBAGLBSA-N 2 1 211.309 -0.051 20 0 BBADMP CC[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000040808844 384166472 /nfs/dbraw/zinc/16/64/72/384166472.db2.gz BNSPDROBNZADAF-NSHDSACASA-N 2 1 242.367 -0.523 20 0 BBADMP CC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000040808846 387584699 /nfs/dbraw/zinc/58/46/99/387584699.db2.gz BNSPDROBNZADAF-LLVKDONJSA-N 2 1 242.367 -0.523 20 0 BBADMP CC(C)C[C@@H](CNC(=O)C[NH3+])[NH+]1CCOCC1 ZINC000040824563 188084164 /nfs/dbraw/zinc/08/41/64/188084164.db2.gz PPDWVGFUZWOWLW-NSHDSACASA-N 2 1 243.351 -0.192 20 0 BBADMP CC(C)C[C@H](CNC(=O)C[NH3+])[NH+]1CCOCC1 ZINC000040824565 358502786 /nfs/dbraw/zinc/50/27/86/358502786.db2.gz PPDWVGFUZWOWLW-LLVKDONJSA-N 2 1 243.351 -0.192 20 0 BBADMP [NH3+]CCCCNC(=O)[C@H]1CSC[NH2+]1 ZINC000040832438 358246365 /nfs/dbraw/zinc/24/63/65/358246365.db2.gz SEWWHGRDFMUSIQ-SSDOTTSWSA-N 2 1 203.311 -0.496 20 0 BBADMP [NH3+]CCCCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000040832439 410112734 /nfs/dbraw/zinc/11/27/34/410112734.db2.gz SEWWHGRDFMUSIQ-ZETCQYMHSA-N 2 1 203.311 -0.496 20 0 BBADMP OCC[NH+]1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000040863823 641537624 /nfs/dbraw/zinc/53/76/24/641537624.db2.gz MRZKYDYCVQGTIH-UHFFFAOYSA-N 2 1 237.303 -0.312 20 0 BBADMP CC(C)([NH3+])C(=O)NCCC[NH+]1CCOCC1 ZINC000040920513 635425076 /nfs/dbraw/zinc/42/50/76/635425076.db2.gz PEUWTKJUFPQXJI-UHFFFAOYSA-N 2 1 229.324 -0.438 20 0 BBADMP COCC[N@H+]1CCCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000040924194 343411480 /nfs/dbraw/zinc/41/14/80/343411480.db2.gz WGJVXRMWGVTIPB-UHFFFAOYSA-N 2 1 243.351 -0.096 20 0 BBADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCOC2)CCO1 ZINC000041059162 386662053 /nfs/dbraw/zinc/66/20/53/386662053.db2.gz LGMDLAXZXJXKPL-VHSXEESVSA-N 2 1 200.282 -0.318 20 0 BBADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCOC2)CCO1 ZINC000041059162 386662046 /nfs/dbraw/zinc/66/20/46/386662046.db2.gz LGMDLAXZXJXKPL-VHSXEESVSA-N 2 1 200.282 -0.318 20 0 BBADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCOC2)CCO1 ZINC000041059163 387984707 /nfs/dbraw/zinc/98/47/07/387984707.db2.gz LGMDLAXZXJXKPL-NXEZZACHSA-N 2 1 200.282 -0.318 20 0 BBADMP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCOC2)CCO1 ZINC000041059163 387984702 /nfs/dbraw/zinc/98/47/02/387984702.db2.gz LGMDLAXZXJXKPL-NXEZZACHSA-N 2 1 200.282 -0.318 20 0 BBADMP C[NH+]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000042165311 173066477 /nfs/dbraw/zinc/06/64/77/173066477.db2.gz SHFZNNZVTLCYNN-JTQLQIEISA-N 2 1 211.309 -0.098 20 0 BBADMP C[NH+]1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000042165312 173066904 /nfs/dbraw/zinc/06/69/04/173066904.db2.gz SHFZNNZVTLCYNN-SNVBAGLBSA-N 2 1 211.309 -0.098 20 0 BBADMP O=C(C[C@H]1CCC[NH2+]1)N1CC[NH+](CCO)CC1 ZINC000042166056 182027418 /nfs/dbraw/zinc/02/74/18/182027418.db2.gz YLQKMDATRMQEOD-LLVKDONJSA-N 2 1 241.335 -0.735 20 0 BBADMP O=C(C[C@@H]1CCC[NH2+]1)N1CC[NH+](CCO)CC1 ZINC000042166057 182018356 /nfs/dbraw/zinc/01/83/56/182018356.db2.gz YLQKMDATRMQEOD-NSHDSACASA-N 2 1 241.335 -0.735 20 0 BBADMP Cn1cc(C[N@@H+](C)CCN2CC[NH2+]CC2)cn1 ZINC000042317572 358346675 /nfs/dbraw/zinc/34/66/75/358346675.db2.gz MLYWSPJRBZKQSQ-UHFFFAOYSA-N 2 1 237.351 -0.243 20 0 BBADMP Cn1cc(C[N@H+](C)CCN2CC[NH2+]CC2)cn1 ZINC000042317572 358346674 /nfs/dbraw/zinc/34/66/74/358346674.db2.gz MLYWSPJRBZKQSQ-UHFFFAOYSA-N 2 1 237.351 -0.243 20 0 BBADMP COC[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000042319044 487729120 /nfs/dbraw/zinc/72/91/20/487729120.db2.gz KEWNESYNXSLPBG-NSHDSACASA-N 2 1 215.341 -0.142 20 0 BBADMP COC[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000042319048 487729302 /nfs/dbraw/zinc/72/93/02/487729302.db2.gz KEWNESYNXSLPBG-LLVKDONJSA-N 2 1 215.341 -0.142 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)C ZINC000042458864 637259090 /nfs/dbraw/zinc/25/90/90/637259090.db2.gz KUKNCJATPOMNAB-JTQLQIEISA-N 2 1 204.314 -0.077 20 0 BBADMP COCC[N@H+](C)C[C@@H](O)C[NH2+]C(C)C ZINC000042458864 637259087 /nfs/dbraw/zinc/25/90/87/637259087.db2.gz KUKNCJATPOMNAB-JTQLQIEISA-N 2 1 204.314 -0.077 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+]C(C)C ZINC000042458866 637259371 /nfs/dbraw/zinc/25/93/71/637259371.db2.gz KUKNCJATPOMNAB-SNVBAGLBSA-N 2 1 204.314 -0.077 20 0 BBADMP COCC[N@H+](C)C[C@H](O)C[NH2+]C(C)C ZINC000042458866 637259366 /nfs/dbraw/zinc/25/93/66/637259366.db2.gz KUKNCJATPOMNAB-SNVBAGLBSA-N 2 1 204.314 -0.077 20 0 BBADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H]1CCCCO1 ZINC000042463869 362001812 /nfs/dbraw/zinc/00/18/12/362001812.db2.gz BWIDRLLHYIVGJH-ZJUUUORDSA-N 2 1 202.298 -0.193 20 0 BBADMP C[N@H+](C[C@H](O)C[NH3+])C[C@@H]1CCCCO1 ZINC000042463869 362001807 /nfs/dbraw/zinc/00/18/07/362001807.db2.gz BWIDRLLHYIVGJH-ZJUUUORDSA-N 2 1 202.298 -0.193 20 0 BBADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@H]1CCCCO1 ZINC000042463871 342998442 /nfs/dbraw/zinc/99/84/42/342998442.db2.gz BWIDRLLHYIVGJH-NXEZZACHSA-N 2 1 202.298 -0.193 20 0 BBADMP C[N@H+](C[C@H](O)C[NH3+])C[C@H]1CCCCO1 ZINC000042463871 342998441 /nfs/dbraw/zinc/99/84/41/342998441.db2.gz BWIDRLLHYIVGJH-NXEZZACHSA-N 2 1 202.298 -0.193 20 0 BBADMP COC[C@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000042518349 352623331 /nfs/dbraw/zinc/62/33/31/352623331.db2.gz NNGVJEORGUFBOY-JTQLQIEISA-N 2 1 229.324 -0.615 20 0 BBADMP COC[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000042518350 386685072 /nfs/dbraw/zinc/68/50/72/386685072.db2.gz NNGVJEORGUFBOY-SNVBAGLBSA-N 2 1 229.324 -0.615 20 0 BBADMP C[C@@H](Cn1cccn1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000042539759 358525860 /nfs/dbraw/zinc/52/58/60/358525860.db2.gz VGYICQBLMYJEMU-QWRGUYRKSA-N 2 1 226.324 -0.216 20 0 BBADMP C[C@H](Cn1cccn1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000042539762 358525461 /nfs/dbraw/zinc/52/54/61/358525461.db2.gz VGYICQBLMYJEMU-MNOVXSKESA-N 2 1 226.324 -0.216 20 0 BBADMP C[C@@H](Cn1cccn1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000042539765 358525959 /nfs/dbraw/zinc/52/59/59/358525959.db2.gz VGYICQBLMYJEMU-WDEREUQCSA-N 2 1 226.324 -0.216 20 0 BBADMP C[C@H](Cn1cccn1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000042539768 358526059 /nfs/dbraw/zinc/52/60/59/358526059.db2.gz VGYICQBLMYJEMU-GHMZBOCLSA-N 2 1 226.324 -0.216 20 0 BBADMP CC[N@@H+](CCN1CC[NH2+]CC1)CC(=O)N(C)C ZINC000043499867 411119270 /nfs/dbraw/zinc/11/92/70/411119270.db2.gz ZBFVNPQGKMLRSH-UHFFFAOYSA-N 2 1 242.367 -0.698 20 0 BBADMP CC[N@H+](CCN1CC[NH2+]CC1)CC(=O)N(C)C ZINC000043499867 411119268 /nfs/dbraw/zinc/11/92/68/411119268.db2.gz ZBFVNPQGKMLRSH-UHFFFAOYSA-N 2 1 242.367 -0.698 20 0 BBADMP CCCNC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000043499870 411119399 /nfs/dbraw/zinc/11/93/99/411119399.db2.gz XHPLPBBWDDDELV-UHFFFAOYSA-N 2 1 242.367 -0.650 20 0 BBADMP CCCNC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000043499870 411119396 /nfs/dbraw/zinc/11/93/96/411119396.db2.gz XHPLPBBWDDDELV-UHFFFAOYSA-N 2 1 242.367 -0.650 20 0 BBADMP CCNC(=O)C[N@@H+](CC)CCN1CC[NH2+]CC1 ZINC000043499878 170056221 /nfs/dbraw/zinc/05/62/21/170056221.db2.gz PGNOLHVAWYMRAW-UHFFFAOYSA-N 2 1 242.367 -0.650 20 0 BBADMP CCNC(=O)C[N@H+](CC)CCN1CC[NH2+]CC1 ZINC000043499878 170056220 /nfs/dbraw/zinc/05/62/20/170056220.db2.gz PGNOLHVAWYMRAW-UHFFFAOYSA-N 2 1 242.367 -0.650 20 0 BBADMP CCC[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NC ZINC000043499889 169160075 /nfs/dbraw/zinc/16/00/75/169160075.db2.gz KWXWSGZBBUSYAB-UHFFFAOYSA-N 2 1 242.367 -0.650 20 0 BBADMP NC(=O)[C@@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000043499892 384645557 /nfs/dbraw/zinc/64/55/57/384645557.db2.gz SKRGYWFNUBFVAM-NSHDSACASA-N 2 1 240.351 -0.769 20 0 BBADMP NC(=O)[C@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000043499893 384645665 /nfs/dbraw/zinc/64/56/65/384645665.db2.gz SKRGYWFNUBFVAM-LLVKDONJSA-N 2 1 240.351 -0.769 20 0 BBADMP CC(C)[N@@H+](CCN1CC[NH2+]CC1)CC(N)=O ZINC000043499924 358376170 /nfs/dbraw/zinc/37/61/70/358376170.db2.gz VQOHYAUFZJTFLA-UHFFFAOYSA-N 2 1 228.340 -0.913 20 0 BBADMP CC(C)NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000043499926 358376430 /nfs/dbraw/zinc/37/64/30/358376430.db2.gz PBCOOLCCAZTLSE-UHFFFAOYSA-N 2 1 242.367 -0.652 20 0 BBADMP CC(C)NC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000043499926 358376426 /nfs/dbraw/zinc/37/64/26/358376426.db2.gz PBCOOLCCAZTLSE-UHFFFAOYSA-N 2 1 242.367 -0.652 20 0 BBADMP CCCC[N@@H+](CCN1CC[NH2+]CC1)CC(N)=O ZINC000043499931 387653150 /nfs/dbraw/zinc/65/31/50/387653150.db2.gz AEERSTCJJMWINA-UHFFFAOYSA-N 2 1 242.367 -0.521 20 0 BBADMP CC(C)C[N@@H+](CCN1CC[NH2+]CC1)CC(N)=O ZINC000043499934 352638374 /nfs/dbraw/zinc/63/83/74/352638374.db2.gz BOOLLEOGADPTKG-UHFFFAOYSA-N 2 1 242.367 -0.665 20 0 BBADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NC1CC1 ZINC000043499937 358377132 /nfs/dbraw/zinc/37/71/32/358377132.db2.gz KDWNZSSJNCYULC-UHFFFAOYSA-N 2 1 240.351 -0.898 20 0 BBADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NC1CC1 ZINC000043499937 358377129 /nfs/dbraw/zinc/37/71/29/358377129.db2.gz KDWNZSSJNCYULC-UHFFFAOYSA-N 2 1 240.351 -0.898 20 0 BBADMP C[NH2+]CCC(=O)NCCC[NH+]1CCOCC1 ZINC000043599996 173339991 /nfs/dbraw/zinc/33/99/91/173339991.db2.gz JWJFTUYVAVSHKN-UHFFFAOYSA-N 2 1 229.324 -0.566 20 0 BBADMP C[NH2+]CCC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000043605139 173339642 /nfs/dbraw/zinc/33/96/42/173339642.db2.gz NDQPEQJKEGAZFV-SNVBAGLBSA-N 2 1 211.309 -0.098 20 0 BBADMP C[NH2+]CCC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000043605140 173339457 /nfs/dbraw/zinc/33/94/57/173339457.db2.gz NDQPEQJKEGAZFV-JTQLQIEISA-N 2 1 211.309 -0.098 20 0 BBADMP C[NH2+]CCC(=O)N1CC[NH+](C2CC2)CC1 ZINC000043605430 173339235 /nfs/dbraw/zinc/33/92/35/173339235.db2.gz VAMINDWXARINCE-UHFFFAOYSA-N 2 1 211.309 -0.098 20 0 BBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043707722 384647954 /nfs/dbraw/zinc/64/79/54/384647954.db2.gz AMKBVVKOKRKWDV-MNOVXSKESA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043707723 384649063 /nfs/dbraw/zinc/64/90/63/384649063.db2.gz AMKBVVKOKRKWDV-QWRGUYRKSA-N 2 1 241.335 -0.425 20 0 BBADMP CCN1CCN(C(=O)[C@@H]2CNCCO2)CC1 ZINC000043707754 352641846 /nfs/dbraw/zinc/64/18/46/352641846.db2.gz GMRZCQGVCDXCLR-JTQLQIEISA-N 2 1 227.308 -0.861 20 0 BBADMP CCN1CCN(C(=O)[C@H]2CNCCO2)CC1 ZINC000043707755 352641614 /nfs/dbraw/zinc/64/16/14/352641614.db2.gz GMRZCQGVCDXCLR-SNVBAGLBSA-N 2 1 227.308 -0.861 20 0 BBADMP C[N@H+]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000043707837 173011104 /nfs/dbraw/zinc/01/11/04/173011104.db2.gz WRBIUEBKGOJYEC-JTQLQIEISA-N 2 1 227.308 -0.861 20 0 BBADMP C[N@H+]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000043707838 173014768 /nfs/dbraw/zinc/01/47/68/173014768.db2.gz WRBIUEBKGOJYEC-SNVBAGLBSA-N 2 1 227.308 -0.861 20 0 BBADMP CC(C)[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000043708184 188042593 /nfs/dbraw/zinc/04/25/93/188042593.db2.gz ZSURYMFJKCLCEB-LLVKDONJSA-N 2 1 241.335 -0.473 20 0 BBADMP C[C@@H](Cn1ccnc1)NC(=O)[C@@H]1CNCCO1 ZINC000043708261 352641385 /nfs/dbraw/zinc/64/13/85/352641385.db2.gz WAMZAZKUKCLDRZ-UWVGGRQHSA-N 2 1 238.291 -0.624 20 0 BBADMP C[C@H](Cn1ccnc1)NC(=O)[C@@H]1CNCCO1 ZINC000043708262 352641564 /nfs/dbraw/zinc/64/15/64/352641564.db2.gz WAMZAZKUKCLDRZ-ZJUUUORDSA-N 2 1 238.291 -0.624 20 0 BBADMP C[C@@H](Cn1ccnc1)NC(=O)[C@H]1CNCCO1 ZINC000043708263 352642006 /nfs/dbraw/zinc/64/20/06/352642006.db2.gz WAMZAZKUKCLDRZ-VHSXEESVSA-N 2 1 238.291 -0.624 20 0 BBADMP C[C@H](Cn1ccnc1)NC(=O)[C@H]1CNCCO1 ZINC000043708264 352641839 /nfs/dbraw/zinc/64/18/39/352641839.db2.gz WAMZAZKUKCLDRZ-NXEZZACHSA-N 2 1 238.291 -0.624 20 0 BBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000043709221 384649927 /nfs/dbraw/zinc/64/99/27/384649927.db2.gz QZJRKEOBWBDGEO-MNOVXSKESA-N 2 1 241.335 -0.567 20 0 BBADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000043709222 384648581 /nfs/dbraw/zinc/64/85/81/384648581.db2.gz QZJRKEOBWBDGEO-QWRGUYRKSA-N 2 1 241.335 -0.567 20 0 BBADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000043709227 173145131 /nfs/dbraw/zinc/14/51/31/173145131.db2.gz NIGITFQNEIZJFQ-ZJUUUORDSA-N 2 1 227.308 -0.957 20 0 BBADMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000043800459 352639444 /nfs/dbraw/zinc/63/94/44/352639444.db2.gz KOLFBWSSODPGSY-QWRGUYRKSA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000043800461 352639124 /nfs/dbraw/zinc/63/91/24/352639124.db2.gz KOLFBWSSODPGSY-MNOVXSKESA-N 2 1 241.335 -0.425 20 0 BBADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000043800495 173046781 /nfs/dbraw/zinc/04/67/81/173046781.db2.gz NNVZCIBRBWQRQI-UWVGGRQHSA-N 2 1 227.308 -0.815 20 0 BBADMP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000043800497 173020321 /nfs/dbraw/zinc/02/03/21/173020321.db2.gz NNVZCIBRBWQRQI-ZJUUUORDSA-N 2 1 227.308 -0.815 20 0 BBADMP [NH3+]C[C@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000044529796 386724210 /nfs/dbraw/zinc/72/42/10/386724210.db2.gz KANPTYOKGXQKMC-SNVBAGLBSA-N 2 1 239.319 -0.194 20 0 BBADMP [NH3+]C[C@@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000044529798 386722159 /nfs/dbraw/zinc/72/21/59/386722159.db2.gz KANPTYOKGXQKMC-JTQLQIEISA-N 2 1 239.319 -0.194 20 0 BBADMP CNC(=O)NC(=O)CC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044529804 173286227 /nfs/dbraw/zinc/28/62/27/173286227.db2.gz OWPGEZADSKJMRN-SECBINFHSA-N 2 1 242.323 -0.497 20 0 BBADMP CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044529806 173286361 /nfs/dbraw/zinc/28/63/61/173286361.db2.gz OWPGEZADSKJMRN-VIFPVBQESA-N 2 1 242.323 -0.497 20 0 BBADMP NC(=O)NC(=O)CC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044529816 386723987 /nfs/dbraw/zinc/72/39/87/386723987.db2.gz JZDQINFFJZIMQJ-MRVPVSSYSA-N 2 1 228.296 -0.758 20 0 BBADMP NC(=O)NC(=O)CC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044529818 386723035 /nfs/dbraw/zinc/72/30/35/386723035.db2.gz JZDQINFFJZIMQJ-QMMMGPOBSA-N 2 1 228.296 -0.758 20 0 BBADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531358 352654810 /nfs/dbraw/zinc/65/48/10/352654810.db2.gz NLJQYAHDORVIGG-JGVFFNPUSA-N 2 1 228.296 -0.760 20 0 BBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531358 352654807 /nfs/dbraw/zinc/65/48/07/352654807.db2.gz NLJQYAHDORVIGG-JGVFFNPUSA-N 2 1 228.296 -0.760 20 0 BBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531360 352654857 /nfs/dbraw/zinc/65/48/57/352654857.db2.gz NLJQYAHDORVIGG-HTQZYQBOSA-N 2 1 228.296 -0.760 20 0 BBADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531360 352654855 /nfs/dbraw/zinc/65/48/55/352654855.db2.gz NLJQYAHDORVIGG-HTQZYQBOSA-N 2 1 228.296 -0.760 20 0 BBADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000044539022 411137555 /nfs/dbraw/zinc/13/75/55/411137555.db2.gz WQKUTXYDDQANCM-MNOVXSKESA-N 2 1 241.335 -0.567 20 0 BBADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000044539024 411137417 /nfs/dbraw/zinc/13/74/17/411137417.db2.gz WQKUTXYDDQANCM-QWRGUYRKSA-N 2 1 241.335 -0.567 20 0 BBADMP CC[NH2+]CC(=O)NCCC[NH+]1CCOCC1 ZINC000044646914 640446114 /nfs/dbraw/zinc/44/61/14/640446114.db2.gz BCLOIAPWXIWSEQ-UHFFFAOYSA-N 2 1 229.324 -0.566 20 0 BBADMP CC[NH2+]CC(=O)N1CCC[N@@H+](CCOC)CC1 ZINC000044650684 640448488 /nfs/dbraw/zinc/44/84/88/640448488.db2.gz JYOJIFSWUYMIGZ-UHFFFAOYSA-N 2 1 243.351 -0.223 20 0 BBADMP CC[NH2+]CC(=O)NCCC[NH+]1CCN(C)CC1 ZINC000044651261 640447958 /nfs/dbraw/zinc/44/79/58/640447958.db2.gz MTGAABNRTNLATG-UHFFFAOYSA-N 2 1 242.367 -0.650 20 0 BBADMP CCOC[C@@H](C)NC[C@H](O)C[NH+](C)C ZINC000044723370 385219192 /nfs/dbraw/zinc/21/91/92/385219192.db2.gz VRTZJAAATIQWPL-ZJUUUORDSA-N 2 1 204.314 -0.077 20 0 BBADMP CCOC[C@H](C)NC[C@H](O)C[NH+](C)C ZINC000044723373 385219428 /nfs/dbraw/zinc/21/94/28/385219428.db2.gz VRTZJAAATIQWPL-UWVGGRQHSA-N 2 1 204.314 -0.077 20 0 BBADMP CCOC[C@@H](C)NC[C@@H](O)C[NH+](C)C ZINC000044723376 385218150 /nfs/dbraw/zinc/21/81/50/385218150.db2.gz VRTZJAAATIQWPL-NXEZZACHSA-N 2 1 204.314 -0.077 20 0 BBADMP CCOC[C@H](C)NC[C@@H](O)C[NH+](C)C ZINC000044723379 385219106 /nfs/dbraw/zinc/21/91/06/385219106.db2.gz VRTZJAAATIQWPL-VHSXEESVSA-N 2 1 204.314 -0.077 20 0 BBADMP COCCOCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000044725593 174355637 /nfs/dbraw/zinc/35/56/37/174355637.db2.gz XFIAQHKLAVNLSX-SNVBAGLBSA-N 2 1 202.298 -0.070 20 0 BBADMP COCCOCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000044725594 174355264 /nfs/dbraw/zinc/35/52/64/174355264.db2.gz XFIAQHKLAVNLSX-JTQLQIEISA-N 2 1 202.298 -0.070 20 0 BBADMP C[NH2+]CCC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044726713 173341364 /nfs/dbraw/zinc/34/13/64/173341364.db2.gz GLUJJOXOWBBKGZ-SECBINFHSA-N 2 1 211.309 -0.051 20 0 BBADMP C[NH2+]CCC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044726714 173341475 /nfs/dbraw/zinc/34/14/75/173341475.db2.gz GLUJJOXOWBBKGZ-VIFPVBQESA-N 2 1 211.309 -0.051 20 0 BBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[NH2+]CCO1 ZINC000044726715 182334737 /nfs/dbraw/zinc/33/47/37/182334737.db2.gz HEUAHGLLRXVARH-ONGXEEELSA-N 2 1 239.319 -0.672 20 0 BBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[NH2+]CCO1 ZINC000044726716 182303268 /nfs/dbraw/zinc/30/32/68/182303268.db2.gz HEUAHGLLRXVARH-KOLCDFICSA-N 2 1 239.319 -0.672 20 0 BBADMP CC[NH2+]CC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044726717 640461122 /nfs/dbraw/zinc/46/11/22/640461122.db2.gz RGLHJHKJAOLGNG-SECBINFHSA-N 2 1 211.309 -0.051 20 0 BBADMP CC[NH2+]CC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044726718 640462855 /nfs/dbraw/zinc/46/28/55/640462855.db2.gz RGLHJHKJAOLGNG-VIFPVBQESA-N 2 1 211.309 -0.051 20 0 BBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000044726812 182303179 /nfs/dbraw/zinc/30/31/79/182303179.db2.gz CPLACDYLIFCCHG-MIMYLULJSA-N 2 1 239.319 -0.938 20 0 BBADMP CC(C)(C[NH3+])C(=O)NCCC[NH+]1CCOCC1 ZINC000044751574 187394817 /nfs/dbraw/zinc/39/48/17/187394817.db2.gz BABGJGFRCACOOT-UHFFFAOYSA-N 2 1 243.351 -0.190 20 0 BBADMP CC(C)[C@@H](C[NH3+])C(=O)N1CC[NH+](C)CC1 ZINC000044795623 167395377 /nfs/dbraw/zinc/39/53/77/167395377.db2.gz YHGIUUZAQZLCSA-SNVBAGLBSA-N 2 1 213.325 -0.009 20 0 BBADMP CC(C)[C@H](C[NH3+])C(=O)N1CC[NH+](C)CC1 ZINC000044795626 188153186 /nfs/dbraw/zinc/15/31/86/188153186.db2.gz YHGIUUZAQZLCSA-JTQLQIEISA-N 2 1 213.325 -0.009 20 0 BBADMP C[C@@H](C[NH3+])C(=O)NCCC[NH+]1CCOCC1 ZINC000044800283 352657421 /nfs/dbraw/zinc/65/74/21/352657421.db2.gz FXYLXDHAFITKGA-JTQLQIEISA-N 2 1 229.324 -0.580 20 0 BBADMP C[C@H](C[NH3+])C(=O)NCCC[NH+]1CCOCC1 ZINC000044800286 352657058 /nfs/dbraw/zinc/65/70/58/352657058.db2.gz FXYLXDHAFITKGA-SNVBAGLBSA-N 2 1 229.324 -0.580 20 0 BBADMP C[C@@H](C[NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000044804892 344548480 /nfs/dbraw/zinc/54/84/80/344548480.db2.gz QLUBPBAZPLQCAE-VIFPVBQESA-N 2 1 211.309 -0.112 20 0 BBADMP C[C@H](C[NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000044804894 344548532 /nfs/dbraw/zinc/54/85/32/344548532.db2.gz QLUBPBAZPLQCAE-SECBINFHSA-N 2 1 211.309 -0.112 20 0 BBADMP C[C@@H](C[NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044808508 344548627 /nfs/dbraw/zinc/54/86/27/344548627.db2.gz ASLXGTJZILVGPC-DTWKUNHWSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044808509 344549100 /nfs/dbraw/zinc/54/91/00/344549100.db2.gz ASLXGTJZILVGPC-RKDXNWHRSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@@H](C[NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044808510 344549085 /nfs/dbraw/zinc/54/90/85/344549085.db2.gz ASLXGTJZILVGPC-IUCAKERBSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@H](C[NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044808511 344549199 /nfs/dbraw/zinc/54/91/99/344549199.db2.gz ASLXGTJZILVGPC-BDAKNGLRSA-N 2 1 211.309 -0.066 20 0 BBADMP CN(C)C(=O)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000044992174 411142941 /nfs/dbraw/zinc/14/29/41/411142941.db2.gz DNWSBPCHJXUCLG-NSHDSACASA-N 2 1 243.351 -0.489 20 0 BBADMP CN(C)C(=O)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000044992176 411142965 /nfs/dbraw/zinc/14/29/65/411142965.db2.gz DNWSBPCHJXUCLG-LLVKDONJSA-N 2 1 243.351 -0.489 20 0 BBADMP COCC[C@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000045044489 387704668 /nfs/dbraw/zinc/70/46/68/387704668.db2.gz JBFHVSRQNUYVKO-NSHDSACASA-N 2 1 243.351 -0.225 20 0 BBADMP COCC[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000045044491 174377982 /nfs/dbraw/zinc/37/79/82/174377982.db2.gz JBFHVSRQNUYVKO-LLVKDONJSA-N 2 1 243.351 -0.225 20 0 BBADMP CC[NH+]1CCN(C(=O)C[NH2+]CCOC)CC1 ZINC000045919747 343011611 /nfs/dbraw/zinc/01/16/11/343011611.db2.gz JMCZSCFUBHWXIA-UHFFFAOYSA-N 2 1 229.324 -0.614 20 0 BBADMP CC(C)OCC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000049260903 386605088 /nfs/dbraw/zinc/60/50/88/386605088.db2.gz DXCCMDOOVJCTOU-UHFFFAOYSA-N 2 1 243.351 -0.225 20 0 BBADMP CC(C)OCC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000049260903 386605081 /nfs/dbraw/zinc/60/50/81/386605081.db2.gz DXCCMDOOVJCTOU-UHFFFAOYSA-N 2 1 243.351 -0.225 20 0 BBADMP C[C@@H](CN1CCOCC1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000049509032 411240190 /nfs/dbraw/zinc/24/01/90/411240190.db2.gz DYWRDUYWKOQZLU-NWDGAFQWSA-N 2 1 227.352 -0.012 20 0 BBADMP C[C@H](CN1CCOCC1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000049509034 411241044 /nfs/dbraw/zinc/24/10/44/411241044.db2.gz DYWRDUYWKOQZLU-VXGBXAGGSA-N 2 1 227.352 -0.012 20 0 BBADMP Cc1[nH+]ccn1CC[NH+](CCO)CCO ZINC000050103433 180250650 /nfs/dbraw/zinc/25/06/50/180250650.db2.gz LQVBZVCAOFVHMS-UHFFFAOYSA-N 2 1 213.281 -0.522 20 0 BBADMP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000050247031 643662599 /nfs/dbraw/zinc/66/25/99/643662599.db2.gz QCSQAMIBAZHCIP-JTQLQIEISA-N 2 1 227.308 -0.874 20 0 BBADMP [NH3+]C[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000050247031 643662595 /nfs/dbraw/zinc/66/25/95/643662595.db2.gz QCSQAMIBAZHCIP-JTQLQIEISA-N 2 1 227.308 -0.874 20 0 BBADMP [NH3+]C[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000050247032 643662694 /nfs/dbraw/zinc/66/26/94/643662694.db2.gz QCSQAMIBAZHCIP-SNVBAGLBSA-N 2 1 227.308 -0.874 20 0 BBADMP [NH3+]C[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000050247032 643662690 /nfs/dbraw/zinc/66/26/90/643662690.db2.gz QCSQAMIBAZHCIP-SNVBAGLBSA-N 2 1 227.308 -0.874 20 0 BBADMP COCCCNC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050247269 411256547 /nfs/dbraw/zinc/25/65/47/411256547.db2.gz ZWYBCUPPLJFEPI-SNVBAGLBSA-N 2 1 229.324 -0.580 20 0 BBADMP COCCCNC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050247269 411256543 /nfs/dbraw/zinc/25/65/43/411256543.db2.gz ZWYBCUPPLJFEPI-SNVBAGLBSA-N 2 1 229.324 -0.580 20 0 BBADMP COCCCNC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000050247271 411256012 /nfs/dbraw/zinc/25/60/12/411256012.db2.gz ZWYBCUPPLJFEPI-JTQLQIEISA-N 2 1 229.324 -0.580 20 0 BBADMP COCCCNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000050247271 411256006 /nfs/dbraw/zinc/25/60/06/411256006.db2.gz ZWYBCUPPLJFEPI-JTQLQIEISA-N 2 1 229.324 -0.580 20 0 BBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050247740 173286107 /nfs/dbraw/zinc/28/61/07/173286107.db2.gz UMAKDFKRKJXZNJ-MRVPVSSYSA-N 2 1 228.296 -0.887 20 0 BBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000050247741 173286690 /nfs/dbraw/zinc/28/66/90/173286690.db2.gz UMAKDFKRKJXZNJ-QMMMGPOBSA-N 2 1 228.296 -0.887 20 0 BBADMP [NH3+]C[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000050249059 411256406 /nfs/dbraw/zinc/25/64/06/411256406.db2.gz BSDUPSGKFWVMTR-SNVBAGLBSA-N 2 1 211.309 -0.111 20 0 BBADMP [NH3+]C[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC000050249059 411256403 /nfs/dbraw/zinc/25/64/03/411256403.db2.gz BSDUPSGKFWVMTR-SNVBAGLBSA-N 2 1 211.309 -0.111 20 0 BBADMP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000050249061 411256514 /nfs/dbraw/zinc/25/65/14/411256514.db2.gz BSDUPSGKFWVMTR-JTQLQIEISA-N 2 1 211.309 -0.111 20 0 BBADMP [NH3+]C[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC000050249061 411256510 /nfs/dbraw/zinc/25/65/10/411256510.db2.gz BSDUPSGKFWVMTR-JTQLQIEISA-N 2 1 211.309 -0.111 20 0 BBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050249176 173288412 /nfs/dbraw/zinc/28/84/12/173288412.db2.gz CTXQBRQNCRJKOX-JGVFFNPUSA-N 2 1 228.296 -0.889 20 0 BBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050249176 173288411 /nfs/dbraw/zinc/28/84/11/173288411.db2.gz CTXQBRQNCRJKOX-JGVFFNPUSA-N 2 1 228.296 -0.889 20 0 BBADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050249177 173288452 /nfs/dbraw/zinc/28/84/52/173288452.db2.gz CTXQBRQNCRJKOX-HTQZYQBOSA-N 2 1 228.296 -0.889 20 0 BBADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050249177 173288451 /nfs/dbraw/zinc/28/84/51/173288451.db2.gz 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ZINC000050249223 358722148 /nfs/dbraw/zinc/72/21/48/358722148.db2.gz ZLKYNZNFYDJRDP-WDEREUQCSA-N 2 1 243.351 -0.192 20 0 BBADMP COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050249224 358721881 /nfs/dbraw/zinc/72/18/81/358721881.db2.gz ZLKYNZNFYDJRDP-GHMZBOCLSA-N 2 1 243.351 -0.192 20 0 BBADMP COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050249224 358721880 /nfs/dbraw/zinc/72/18/80/358721880.db2.gz ZLKYNZNFYDJRDP-GHMZBOCLSA-N 2 1 243.351 -0.192 20 0 BBADMP CN(C(=O)C[N@H+]1CC[C@H](C[NH3+])C1)C1CC1 ZINC000050249374 172310305 /nfs/dbraw/zinc/31/03/05/172310305.db2.gz DLLBLCOTRNDQAP-SECBINFHSA-N 2 1 211.309 -0.112 20 0 BBADMP CN(C(=O)C[N@@H+]1CC[C@H](C[NH3+])C1)C1CC1 ZINC000050249374 172310303 /nfs/dbraw/zinc/31/03/03/172310303.db2.gz DLLBLCOTRNDQAP-SECBINFHSA-N 2 1 211.309 -0.112 20 0 BBADMP CN(C(=O)C[N@H+]1CC[C@@H](C[NH3+])C1)C1CC1 ZINC000050249376 172310048 /nfs/dbraw/zinc/31/00/48/172310048.db2.gz DLLBLCOTRNDQAP-VIFPVBQESA-N 2 1 211.309 -0.112 20 0 BBADMP CN(C(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1)C1CC1 ZINC000050249376 172310046 /nfs/dbraw/zinc/31/00/46/172310046.db2.gz DLLBLCOTRNDQAP-VIFPVBQESA-N 2 1 211.309 -0.112 20 0 BBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050456719 343022051 /nfs/dbraw/zinc/02/20/51/343022051.db2.gz GLXAUUMUJCZXLF-BBBLOLIVSA-N 2 1 211.309 -0.066 20 0 BBADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050456721 350342309 /nfs/dbraw/zinc/34/23/09/350342309.db2.gz GLXAUUMUJCZXLF-AEJSXWLSSA-N 2 1 211.309 -0.066 20 0 BBADMP [NH3+][C@@H]1C[C@@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000050458282 343022009 /nfs/dbraw/zinc/02/20/09/343022009.db2.gz SRJZPXMVTMMXOL-VHSXEESVSA-N 2 1 227.308 -0.828 20 0 BBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000050459348 343022014 /nfs/dbraw/zinc/02/20/14/343022014.db2.gz VMFHQEZJFIHHDR-BBBLOLIVSA-N 2 1 211.309 -0.208 20 0 BBADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000050459349 343615021 /nfs/dbraw/zinc/61/50/21/343615021.db2.gz VMFHQEZJFIHHDR-AEJSXWLSSA-N 2 1 211.309 -0.208 20 0 BBADMP COCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000050463538 343022328 /nfs/dbraw/zinc/02/23/28/343022328.db2.gz UMXULYHIRFBQGP-MNOVXSKESA-N 2 1 241.335 -0.486 20 0 BBADMP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000050463552 350343353 /nfs/dbraw/zinc/34/33/53/350343353.db2.gz ZDMVZVADGBFQOJ-VHSXEESVSA-N 2 1 209.293 -0.360 20 0 BBADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000050464447 350343654 /nfs/dbraw/zinc/34/36/54/350343654.db2.gz MFBKBKLOIFNRQZ-BBBLOLIVSA-N 2 1 211.309 -0.066 20 0 BBADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000050465356 350343633 /nfs/dbraw/zinc/34/36/33/350343633.db2.gz KVPQNGYAFMSFHN-BBBLOLIVSA-N 2 1 211.309 -0.208 20 0 BBADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000050465357 350343657 /nfs/dbraw/zinc/34/36/57/350343657.db2.gz KVPQNGYAFMSFHN-AEJSXWLSSA-N 2 1 211.309 -0.208 20 0 BBADMP COC[C@@H](O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000051284375 631426312 /nfs/dbraw/zinc/42/63/12/631426312.db2.gz YKJJTZWXXLMKDE-VIFPVBQESA-N 2 1 204.314 -0.090 20 0 BBADMP COC[C@H](O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000051284377 632487453 /nfs/dbraw/zinc/48/74/53/632487453.db2.gz YKJJTZWXXLMKDE-SECBINFHSA-N 2 1 204.314 -0.090 20 0 BBADMP CNC(=O)[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000051889733 173298988 /nfs/dbraw/zinc/29/89/88/173298988.db2.gz BAZYJZBOGDHKIN-ZJUUUORDSA-N 2 1 211.309 -0.194 20 0 BBADMP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000051889733 173298987 /nfs/dbraw/zinc/29/89/87/173298987.db2.gz BAZYJZBOGDHKIN-ZJUUUORDSA-N 2 1 211.309 -0.194 20 0 BBADMP CNC(=O)[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000051889735 173306958 /nfs/dbraw/zinc/30/69/58/173306958.db2.gz BAZYJZBOGDHKIN-NXEZZACHSA-N 2 1 211.309 -0.194 20 0 BBADMP CNC(=O)[C@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000051889735 173306957 /nfs/dbraw/zinc/30/69/57/173306957.db2.gz BAZYJZBOGDHKIN-NXEZZACHSA-N 2 1 211.309 -0.194 20 0 BBADMP NC(=O)[C@@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000051889741 181267314 /nfs/dbraw/zinc/26/73/14/181267314.db2.gz DVOTYZSTHLZQHQ-ZJUUUORDSA-N 2 1 211.309 -0.064 20 0 BBADMP NC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000051889741 181267309 /nfs/dbraw/zinc/26/73/09/181267309.db2.gz DVOTYZSTHLZQHQ-ZJUUUORDSA-N 2 1 211.309 -0.064 20 0 BBADMP NC(=O)[C@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000051889743 181279045 /nfs/dbraw/zinc/27/90/45/181279045.db2.gz DVOTYZSTHLZQHQ-NXEZZACHSA-N 2 1 211.309 -0.064 20 0 BBADMP NC(=O)[C@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000051889743 181279043 /nfs/dbraw/zinc/27/90/43/181279043.db2.gz DVOTYZSTHLZQHQ-NXEZZACHSA-N 2 1 211.309 -0.064 20 0 BBADMP NC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958529 350871969 /nfs/dbraw/zinc/87/19/69/350871969.db2.gz QBSWOUMPPQYMBK-UHFFFAOYSA-N 2 1 241.335 -0.484 20 0 BBADMP CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000052019600 632778902 /nfs/dbraw/zinc/77/89/02/632778902.db2.gz GRVVYIOSPFAPAJ-UHFFFAOYSA-N 2 1 200.286 -0.548 20 0 BBADMP CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000052041547 632780259 /nfs/dbraw/zinc/78/02/59/632780259.db2.gz JRLJFQFHVOSVOC-UHFFFAOYSA-N 2 1 214.313 -0.157 20 0 BBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC1CC1 ZINC000052041551 632051368 /nfs/dbraw/zinc/05/13/68/632051368.db2.gz GZWYBWKADNCQPJ-UHFFFAOYSA-N 2 1 226.324 -0.015 20 0 BBADMP COCC[C@@H]([NH3+])C(=O)N1CC[NH+](C(C)C)CC1 ZINC000052791609 174392406 /nfs/dbraw/zinc/39/24/06/174392406.db2.gz QFPGRQSIFLURBS-LLVKDONJSA-N 2 1 243.351 -0.097 20 0 BBADMP COCC[C@H]([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000052809128 632497483 /nfs/dbraw/zinc/49/74/83/632497483.db2.gz ARHWFGBMPMDTHX-NSHDSACASA-N 2 1 241.335 -0.343 20 0 BBADMP COCC[C@@H]([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000052809129 632499042 /nfs/dbraw/zinc/49/90/42/632499042.db2.gz ARHWFGBMPMDTHX-LLVKDONJSA-N 2 1 241.335 -0.343 20 0 BBADMP COCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000052809603 632498724 /nfs/dbraw/zinc/49/87/24/632498724.db2.gz VCFPRMVURZALBT-VHSXEESVSA-N 2 1 229.324 -0.439 20 0 BBADMP COCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000052809604 632498568 /nfs/dbraw/zinc/49/85/68/632498568.db2.gz VCFPRMVURZALBT-NXEZZACHSA-N 2 1 229.324 -0.439 20 0 BBADMP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000053298526 176286995 /nfs/dbraw/zinc/28/69/95/176286995.db2.gz WFNNJTSCRCXWGH-LLVKDONJSA-N 2 1 241.335 -0.471 20 0 BBADMP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000053298530 177247141 /nfs/dbraw/zinc/24/71/41/177247141.db2.gz WFNNJTSCRCXWGH-NSHDSACASA-N 2 1 241.335 -0.471 20 0 BBADMP C[C@@H]1COCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298626 176335630 /nfs/dbraw/zinc/33/56/30/176335630.db2.gz WGDNKINYSXOIDW-LLVKDONJSA-N 2 1 241.335 -0.471 20 0 BBADMP COCC[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000053298751 174275931 /nfs/dbraw/zinc/27/59/31/174275931.db2.gz FZYANTTVRTXRKB-UHFFFAOYSA-N 2 1 229.324 -0.614 20 0 BBADMP C[NH2+][C@@H](C)C(=O)NCCC[NH+]1CCOCC1 ZINC000054071940 348874822 /nfs/dbraw/zinc/87/48/22/348874822.db2.gz DTQXCFSCXWVWJF-JTQLQIEISA-N 2 1 229.324 -0.567 20 0 BBADMP C[NH2+][C@@H](C)C(=O)N1CCC[N@@H+](CCOC)CC1 ZINC000054075577 348877914 /nfs/dbraw/zinc/87/79/14/348877914.db2.gz UMLITPLHTLSPJV-NSHDSACASA-N 2 1 243.351 -0.225 20 0 BBADMP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000054076771 385594859 /nfs/dbraw/zinc/59/48/59/385594859.db2.gz AJSBHTGZCVYKQG-DTWKUNHWSA-N 2 1 211.309 -0.053 20 0 BBADMP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000054076773 385594387 /nfs/dbraw/zinc/59/43/87/385594387.db2.gz AJSBHTGZCVYKQG-IUCAKERBSA-N 2 1 211.309 -0.053 20 0 BBADMP CC(C)[N@@H+](C)CCNC(=O)CN1CC[NH2+]CC1 ZINC000054109024 411239926 /nfs/dbraw/zinc/23/99/26/411239926.db2.gz CUNZOAPXFHKYFS-UHFFFAOYSA-N 2 1 242.367 -0.652 20 0 BBADMP CC[N@@H+](C)CCNC(=O)C1(C[NH3+])CCOCC1 ZINC000054128920 386110248 /nfs/dbraw/zinc/11/02/48/386110248.db2.gz JQISSJCMDKQAGO-UHFFFAOYSA-N 2 1 243.351 -0.190 20 0 BBADMP CC[N@@H+](C)CCNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000054132926 358854601 /nfs/dbraw/zinc/85/46/01/358854601.db2.gz TUAYFZCYQFSKQU-VHSXEESVSA-N 2 1 229.324 -0.569 20 0 BBADMP CC[N@@H+](C)CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000054133041 397903547 /nfs/dbraw/zinc/90/35/47/397903547.db2.gz BNQCZEYGPRYPDZ-VIFPVBQESA-N 2 1 215.297 -0.957 20 0 BBADMP CC[N@@H+](C)CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000054133044 397903841 /nfs/dbraw/zinc/90/38/41/397903841.db2.gz BNQCZEYGPRYPDZ-SECBINFHSA-N 2 1 215.297 -0.957 20 0 BBADMP CC[N@@H+](C)CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000054133095 397903391 /nfs/dbraw/zinc/90/33/91/397903391.db2.gz CVVODDXKMDOYIY-QMMMGPOBSA-N 2 1 217.338 -0.283 20 0 BBADMP CC[N@H+](C)CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000054133095 397903388 /nfs/dbraw/zinc/90/33/88/397903388.db2.gz CVVODDXKMDOYIY-QMMMGPOBSA-N 2 1 217.338 -0.283 20 0 BBADMP CC[N@@H+](C)CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000054133099 397903296 /nfs/dbraw/zinc/90/32/96/397903296.db2.gz CVVODDXKMDOYIY-MRVPVSSYSA-N 2 1 217.338 -0.283 20 0 BBADMP CC[N@H+](C)CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000054133099 397903295 /nfs/dbraw/zinc/90/32/95/397903295.db2.gz CVVODDXKMDOYIY-MRVPVSSYSA-N 2 1 217.338 -0.283 20 0 BBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[N@@H+](C)C(C)C)C1 ZINC000054133377 348892424 /nfs/dbraw/zinc/89/24/24/348892424.db2.gz AWTVBCFVOIGHRN-WDEREUQCSA-N 2 1 243.351 -0.180 20 0 BBADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000054133458 386109843 /nfs/dbraw/zinc/10/98/43/386109843.db2.gz RENZEHFYJXBOBT-JTQLQIEISA-N 2 1 229.324 -0.569 20 0 BBADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000054133461 386110163 /nfs/dbraw/zinc/11/01/63/386110163.db2.gz RENZEHFYJXBOBT-SNVBAGLBSA-N 2 1 229.324 -0.569 20 0 BBADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000054133628 386109882 /nfs/dbraw/zinc/10/98/82/386109882.db2.gz BDZVUCINRBXAIT-UWVGGRQHSA-N 2 1 229.324 -0.834 20 0 BBADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000054133631 386111374 /nfs/dbraw/zinc/11/13/74/386111374.db2.gz BDZVUCINRBXAIT-VHSXEESVSA-N 2 1 229.324 -0.834 20 0 BBADMP C[C@@H](C[NH3+])C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000054341249 385570354 /nfs/dbraw/zinc/57/03/54/385570354.db2.gz DWIOXRBYDCNLBK-VHSXEESVSA-N 2 1 211.309 -0.112 20 0 BBADMP C[C@H](C[NH3+])C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000054341251 385570109 /nfs/dbraw/zinc/57/01/09/385570109.db2.gz DWIOXRBYDCNLBK-NXEZZACHSA-N 2 1 211.309 -0.112 20 0 BBADMP COCC[N@H+]1CCCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000054342243 349006996 /nfs/dbraw/zinc/00/69/96/349006996.db2.gz TVQSKYBKNXOJFQ-NSHDSACASA-N 2 1 243.351 -0.238 20 0 BBADMP COCC[N@H+]1CCCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000054342246 349006909 /nfs/dbraw/zinc/00/69/09/349006909.db2.gz TVQSKYBKNXOJFQ-LLVKDONJSA-N 2 1 243.351 -0.238 20 0 BBADMP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000059931375 386487500 /nfs/dbraw/zinc/48/75/00/386487500.db2.gz VLTJZGXVOPPDHL-JTQLQIEISA-N 2 1 211.309 -0.051 20 0 BBADMP C[N@@H+](CCNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000059931379 386487472 /nfs/dbraw/zinc/48/74/72/386487472.db2.gz VLTJZGXVOPPDHL-SNVBAGLBSA-N 2 1 211.309 -0.051 20 0 BBADMP C[N@@H+](CCNC(=O)[C@@H]1CSC[NH2+]1)C1CC1 ZINC000059931386 386487036 /nfs/dbraw/zinc/48/70/36/386487036.db2.gz ICCMRVJEWADOGN-VIFPVBQESA-N 2 1 229.349 -0.141 20 0 BBADMP C[N@H+](CCNC(=O)[C@@H]1CSC[NH2+]1)C1CC1 ZINC000059931386 386487031 /nfs/dbraw/zinc/48/70/31/386487031.db2.gz ICCMRVJEWADOGN-VIFPVBQESA-N 2 1 229.349 -0.141 20 0 BBADMP C[N@@H+](CCNC(=O)[C@H]1CSC[NH2+]1)C1CC1 ZINC000059931389 386487165 /nfs/dbraw/zinc/48/71/65/386487165.db2.gz ICCMRVJEWADOGN-SECBINFHSA-N 2 1 229.349 -0.141 20 0 BBADMP C[N@H+](CCNC(=O)[C@H]1CSC[NH2+]1)C1CC1 ZINC000059931389 386487161 /nfs/dbraw/zinc/48/71/61/386487161.db2.gz ICCMRVJEWADOGN-SECBINFHSA-N 2 1 229.349 -0.141 20 0 BBADMP C[C@@H](O)C[NH+](C)CCOCC[N@@H+](C)C[C@H](C)O ZINC000060086501 358921084 /nfs/dbraw/zinc/92/10/84/358921084.db2.gz YNCUAQMDYAMPMX-TXEJJXNPSA-N 2 1 248.367 -0.372 20 0 BBADMP C[C@@H](O)C[NH+](C)CCOCC[N@H+](C)C[C@H](C)O ZINC000060086501 358921080 /nfs/dbraw/zinc/92/10/80/358921080.db2.gz YNCUAQMDYAMPMX-TXEJJXNPSA-N 2 1 248.367 -0.372 20 0 BBADMP C[C@@H](O)C[N@@H+](C)CCOCC[NH+](C)C[C@H](C)O ZINC000060086501 358921077 /nfs/dbraw/zinc/92/10/77/358921077.db2.gz YNCUAQMDYAMPMX-TXEJJXNPSA-N 2 1 248.367 -0.372 20 0 BBADMP C[C@@H](O)C[NH+](C)CCOCC[N@H+](C)C[C@@H](C)O ZINC000060086505 358921063 /nfs/dbraw/zinc/92/10/63/358921063.db2.gz YNCUAQMDYAMPMX-VXGBXAGGSA-N 2 1 248.367 -0.372 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000061374603 343725021 /nfs/dbraw/zinc/72/50/21/343725021.db2.gz LDYNYZFSCYYMHN-BDAKNGLRSA-N 2 1 215.297 -0.972 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)CC[NH3+] ZINC000061379859 174276966 /nfs/dbraw/zinc/27/69/66/174276966.db2.gz SGALAMZSZUJDOY-UHFFFAOYSA-N 2 1 203.286 -0.970 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)C(C)(C)C[NH3+] ZINC000061379869 358933019 /nfs/dbraw/zinc/93/30/19/358933019.db2.gz LVNGBIRAMKHRQL-UHFFFAOYSA-N 2 1 231.340 -0.334 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@H](C[NH3+])C(C)C ZINC000061379887 174277714 /nfs/dbraw/zinc/27/77/14/174277714.db2.gz MDCYBOGJAZFSKL-LLVKDONJSA-N 2 1 245.367 -0.088 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@@H](C[NH3+])C(C)C ZINC000061379890 174277976 /nfs/dbraw/zinc/27/79/76/174277976.db2.gz MDCYBOGJAZFSKL-NSHDSACASA-N 2 1 245.367 -0.088 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@@H](C)C[NH3+] ZINC000061379898 174277992 /nfs/dbraw/zinc/27/79/92/174277992.db2.gz QBXGKVZQBSSDHL-VIFPVBQESA-N 2 1 217.313 -0.724 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@H](C)C[NH3+] ZINC000061379901 174277767 /nfs/dbraw/zinc/27/77/67/174277767.db2.gz QBXGKVZQBSSDHL-SECBINFHSA-N 2 1 217.313 -0.724 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)C(C)(C)[NH3+] ZINC000061380437 174275997 /nfs/dbraw/zinc/27/59/97/174275997.db2.gz IDMUASXLDFFQAN-UHFFFAOYSA-N 2 1 217.313 -0.582 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000061380448 174277819 /nfs/dbraw/zinc/27/78/19/174277819.db2.gz GRPWEEGSYKWJSE-JTQLQIEISA-N 2 1 229.324 -0.567 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@H](C)[NH3+] ZINC000061380467 174278032 /nfs/dbraw/zinc/27/80/32/174278032.db2.gz VKYDHRNQKJMNPD-QMMMGPOBSA-N 2 1 203.286 -0.972 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])C(C)C ZINC000061380474 174277588 /nfs/dbraw/zinc/27/75/88/174277588.db2.gz DPWUZEKOFMUZMJ-JTQLQIEISA-N 2 1 231.340 -0.336 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000061380478 174276841 /nfs/dbraw/zinc/27/68/41/174276841.db2.gz LJEPGPCWHQGLLU-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000061380481 174277883 /nfs/dbraw/zinc/27/78/83/174277883.db2.gz LJEPGPCWHQGLLU-LLVKDONJSA-N 2 1 243.351 -0.177 20 0 BBADMP C[NH2+]CCC(=O)NCC[N@@H+](C)CCOC ZINC000061380485 173340078 /nfs/dbraw/zinc/34/00/78/173340078.db2.gz AHCZRHHYYNHZHS-UHFFFAOYSA-N 2 1 217.313 -0.710 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@@H](C)[NH3+] ZINC000061380487 134393275 /nfs/dbraw/zinc/39/32/75/134393275.db2.gz VKYDHRNQKJMNPD-MRVPVSSYSA-N 2 1 203.286 -0.972 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000061380521 174277808 /nfs/dbraw/zinc/27/78/08/174277808.db2.gz QRVDAUIRVWJIRA-VIFPVBQESA-N 2 1 247.364 -0.657 20 0 BBADMP COCC[N@H+](C)CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000061380521 174277806 /nfs/dbraw/zinc/27/78/06/174277806.db2.gz QRVDAUIRVWJIRA-VIFPVBQESA-N 2 1 247.364 -0.657 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000061380522 174276920 /nfs/dbraw/zinc/27/69/20/174276920.db2.gz QRVDAUIRVWJIRA-SECBINFHSA-N 2 1 247.364 -0.657 20 0 BBADMP COCC[N@H+](C)CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000061380522 174276918 /nfs/dbraw/zinc/27/69/18/174276918.db2.gz QRVDAUIRVWJIRA-SECBINFHSA-N 2 1 247.364 -0.657 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000061380527 174277594 /nfs/dbraw/zinc/27/75/94/174277594.db2.gz GRPWEEGSYKWJSE-SNVBAGLBSA-N 2 1 229.324 -0.567 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)C1CC[NH2+]CC1 ZINC000061380530 174276331 /nfs/dbraw/zinc/27/63/31/174276331.db2.gz CDVGRNSSKMMIMS-UHFFFAOYSA-N 2 1 243.351 -0.320 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000061380533 174277094 /nfs/dbraw/zinc/27/70/94/174277094.db2.gz MWCCDXSYCFLOFM-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000061380535 174277320 /nfs/dbraw/zinc/27/73/20/174277320.db2.gz MWCCDXSYCFLOFM-LLVKDONJSA-N 2 1 243.351 -0.177 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000061380538 174277973 /nfs/dbraw/zinc/27/79/73/174277973.db2.gz OFUVKZSDGQEKAB-LLVKDONJSA-N 2 1 243.351 -0.320 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)C[NH2+]CC1CC1 ZINC000061380543 174276546 /nfs/dbraw/zinc/27/65/46/174276546.db2.gz JZKORGXHXPDTNR-UHFFFAOYSA-N 2 1 243.351 -0.320 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])C(C)C ZINC000061380546 358933175 /nfs/dbraw/zinc/93/31/75/358933175.db2.gz DPWUZEKOFMUZMJ-SNVBAGLBSA-N 2 1 231.340 -0.336 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)CCC[NH3+] ZINC000061380606 174277660 /nfs/dbraw/zinc/27/76/60/174277660.db2.gz RBKSJTQFFJAMPQ-UHFFFAOYSA-N 2 1 217.313 -0.580 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)C1([NH3+])CCCC1 ZINC000061380645 174275973 /nfs/dbraw/zinc/27/59/73/174275973.db2.gz GAFUBMSTKASRGL-UHFFFAOYSA-N 2 1 243.351 -0.048 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)CC[NH2+]C1CC1 ZINC000061380652 349367579 /nfs/dbraw/zinc/36/75/79/349367579.db2.gz FEFKWEFUGYEQJO-UHFFFAOYSA-N 2 1 243.351 -0.177 20 0 BBADMP CC[C@H]([NH3+])C(=O)NCC[N@@H+](C)CCOC ZINC000061380698 134393529 /nfs/dbraw/zinc/39/35/29/134393529.db2.gz YXBQNZANZGKVOA-VIFPVBQESA-N 2 1 217.313 -0.582 20 0 BBADMP CC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)CCOC ZINC000061380702 488092696 /nfs/dbraw/zinc/09/26/96/488092696.db2.gz YXBQNZANZGKVOA-SECBINFHSA-N 2 1 217.313 -0.582 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)C[NH2+]C(C)C ZINC000061380708 487473820 /nfs/dbraw/zinc/47/38/20/487473820.db2.gz JETLMRUGNOZNDU-UHFFFAOYSA-N 2 1 231.340 -0.321 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)C[NH2+]C1CC1 ZINC000061380710 411157828 /nfs/dbraw/zinc/15/78/28/411157828.db2.gz RFRZUQOSHKELHH-UHFFFAOYSA-N 2 1 229.324 -0.567 20 0 BBADMP C[NH2+]CCCC(=O)NCC[N@@H+](C)CCOC ZINC000061380715 173343610 /nfs/dbraw/zinc/34/36/10/173343610.db2.gz XHSZLPDCVIMULD-UHFFFAOYSA-N 2 1 231.340 -0.320 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)C[C@H](C)[NH3+] ZINC000061380717 488092867 /nfs/dbraw/zinc/09/28/67/488092867.db2.gz ISPSYDLGYLFJDC-VIFPVBQESA-N 2 1 217.313 -0.582 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)C[C@@H](C)[NH3+] ZINC000061380719 488092856 /nfs/dbraw/zinc/09/28/56/488092856.db2.gz ISPSYDLGYLFJDC-SECBINFHSA-N 2 1 217.313 -0.582 20 0 BBADMP C[NH2+][C@@H](C)C(=O)NCC[N@@H+](C)CCOC ZINC000061380745 384756440 /nfs/dbraw/zinc/75/64/40/384756440.db2.gz JNNQUGPUTNWBDV-VIFPVBQESA-N 2 1 217.313 -0.711 20 0 BBADMP C(C[N@H+]1CCCOCC1)N1CC[NH2+]CC1 ZINC000061918684 191000874 /nfs/dbraw/zinc/00/08/74/191000874.db2.gz UQYXXHWZKMNWKE-UHFFFAOYSA-N 2 1 213.325 -0.386 20 0 BBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000062010152 536740606 /nfs/dbraw/zinc/74/06/06/536740606.db2.gz BHFFDEHZZMESLJ-WDEREUQCSA-N 2 1 241.335 -0.426 20 0 BBADMP C[N@@H+](CCNC(=O)[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000062010161 386491028 /nfs/dbraw/zinc/49/10/28/386491028.db2.gz QNHQKIBDKPGLLD-JTQLQIEISA-N 2 1 227.308 -0.815 20 0 BBADMP C[N@@H+](CCNC(=O)[C@H]1C[NH2+]CCO1)C1CC1 ZINC000062010162 386489780 /nfs/dbraw/zinc/48/97/80/386489780.db2.gz QNHQKIBDKPGLLD-SNVBAGLBSA-N 2 1 227.308 -0.815 20 0 BBADMP C[N@@H+](CCNC(=O)CN1CC[NH2+]CC1)C1CC1 ZINC000062010190 411277779 /nfs/dbraw/zinc/27/77/79/411277779.db2.gz OZEFKSALLGREHE-UHFFFAOYSA-N 2 1 240.351 -0.898 20 0 BBADMP C[N@@H+](CCNC(=O)C[NH2+]C1CC1)C1CC1 ZINC000062010202 349436855 /nfs/dbraw/zinc/43/68/55/349436855.db2.gz UOCWOAAUHDCDBF-UHFFFAOYSA-N 2 1 211.309 -0.051 20 0 BBADMP COCCC[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000062031649 349615057 /nfs/dbraw/zinc/61/50/57/349615057.db2.gz GNNCLWPKQNMWKS-UHFFFAOYSA-N 2 1 243.351 -0.223 20 0 BBADMP COCCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000062031655 350537207 /nfs/dbraw/zinc/53/72/07/350537207.db2.gz VECVVCKHHOPKNW-UHFFFAOYSA-N 2 1 215.341 -0.140 20 0 BBADMP O=C1CC[N@@H+](CC2CC[NH2+]CC2)CCN1 ZINC000062100573 182740042 /nfs/dbraw/zinc/74/00/42/182740042.db2.gz HGHUDZFTNUCMSC-UHFFFAOYSA-N 2 1 211.309 -0.192 20 0 BBADMP C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000062112569 173011609 /nfs/dbraw/zinc/01/16/09/173011609.db2.gz KHJXJBSKXNLECK-SNVBAGLBSA-N 2 1 211.309 -0.240 20 0 BBADMP C[N@H+]1CCCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000062112570 173013418 /nfs/dbraw/zinc/01/34/18/173013418.db2.gz KHJXJBSKXNLECK-JTQLQIEISA-N 2 1 211.309 -0.240 20 0 BBADMP O=C(NCCC[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000062112681 182168951 /nfs/dbraw/zinc/16/89/51/182168951.db2.gz WKXGNFBXFAKDKQ-LLVKDONJSA-N 2 1 241.335 -0.566 20 0 BBADMP O=C(NCCC[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000062112682 182169030 /nfs/dbraw/zinc/16/90/30/182169030.db2.gz WKXGNFBXFAKDKQ-NSHDSACASA-N 2 1 241.335 -0.566 20 0 BBADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062114225 173144874 /nfs/dbraw/zinc/14/48/74/173144874.db2.gz JTRMXBZHIDOGPS-NXEZZACHSA-N 2 1 211.309 -0.336 20 0 BBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062114226 173114766 /nfs/dbraw/zinc/11/47/66/173114766.db2.gz JTRMXBZHIDOGPS-VHSXEESVSA-N 2 1 211.309 -0.336 20 0 BBADMP O=C([C@@H]1CC[NH2+]C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000062114959 386502211 /nfs/dbraw/zinc/50/22/11/386502211.db2.gz ZQMWCKOJXCZEGG-GHMZBOCLSA-N 2 1 223.320 -0.098 20 0 BBADMP O=C([C@@H]1CC[NH2+]C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000062114960 386502114 /nfs/dbraw/zinc/50/21/14/386502114.db2.gz ZQMWCKOJXCZEGG-MNOVXSKESA-N 2 1 223.320 -0.098 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000062116962 174276904 /nfs/dbraw/zinc/27/69/04/174276904.db2.gz XSEZZQXJHSMZJM-SNVBAGLBSA-N 2 1 229.324 -0.710 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000062116963 174277682 /nfs/dbraw/zinc/27/76/82/174277682.db2.gz XSEZZQXJHSMZJM-JTQLQIEISA-N 2 1 229.324 -0.710 20 0 BBADMP C[N@@H+](CCNC(=O)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000062117022 386568878 /nfs/dbraw/zinc/56/88/78/386568878.db2.gz DIRKSHUTDDFPLD-SECBINFHSA-N 2 1 211.309 -0.194 20 0 BBADMP C[N@@H+](CCNC(=O)[C@H]1CC[NH2+]C1)C1CC1 ZINC000062117023 386568226 /nfs/dbraw/zinc/56/82/26/386568226.db2.gz DIRKSHUTDDFPLD-VIFPVBQESA-N 2 1 211.309 -0.194 20 0 BBADMP C[NH+]1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062887203 173071930 /nfs/dbraw/zinc/07/19/30/173071930.db2.gz ONJWKNNNICEWOL-NSHDSACASA-N 2 1 211.309 -0.240 20 0 BBADMP C[NH+]1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000062887205 173071444 /nfs/dbraw/zinc/07/14/44/173071444.db2.gz ONJWKNNNICEWOL-LLVKDONJSA-N 2 1 211.309 -0.240 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062904685 174278042 /nfs/dbraw/zinc/27/80/42/174278042.db2.gz SPUXQCHHUFMUOH-LBPRGKRZSA-N 2 1 243.351 -0.320 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062904688 174277890 /nfs/dbraw/zinc/27/78/90/174277890.db2.gz SPUXQCHHUFMUOH-GFCCVEGCSA-N 2 1 243.351 -0.320 20 0 BBADMP C[NH2+]CC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062942893 386648565 /nfs/dbraw/zinc/64/85/65/386648565.db2.gz VBUCDKYMLKEYBR-SNVBAGLBSA-N 2 1 211.309 -0.098 20 0 BBADMP C[NH2+]CC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000062942894 386647308 /nfs/dbraw/zinc/64/73/08/386647308.db2.gz VBUCDKYMLKEYBR-JTQLQIEISA-N 2 1 211.309 -0.098 20 0 BBADMP COC[C@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178265 386541988 /nfs/dbraw/zinc/54/19/88/386541988.db2.gz DPYPIZYTGKQPTF-QWRGUYRKSA-N 2 1 243.351 -0.192 20 0 BBADMP COC[C@@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178268 386541808 /nfs/dbraw/zinc/54/18/08/386541808.db2.gz DPYPIZYTGKQPTF-MNOVXSKESA-N 2 1 243.351 -0.192 20 0 BBADMP COCC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179621 174306680 /nfs/dbraw/zinc/30/66/80/174306680.db2.gz SIXCOMSOPKEHCX-JTQLQIEISA-N 2 1 229.324 -0.580 20 0 BBADMP COCC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179626 174306778 /nfs/dbraw/zinc/30/67/78/174306778.db2.gz SIXCOMSOPKEHCX-SNVBAGLBSA-N 2 1 229.324 -0.580 20 0 BBADMP COCCC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179864 411347636 /nfs/dbraw/zinc/34/76/36/411347636.db2.gz WDDLQCDPYZNEOZ-NSHDSACASA-N 2 1 243.351 -0.190 20 0 BBADMP COCCC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179867 411347469 /nfs/dbraw/zinc/34/74/69/411347469.db2.gz WDDLQCDPYZNEOZ-LLVKDONJSA-N 2 1 243.351 -0.190 20 0 BBADMP CC(C)(O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180099 386541093 /nfs/dbraw/zinc/54/10/93/386541093.db2.gz KATLAYZGJHTNDN-JTQLQIEISA-N 2 1 243.351 -0.456 20 0 BBADMP CC(C)(O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063180100 188223982 /nfs/dbraw/zinc/22/39/82/188223982.db2.gz KATLAYZGJHTNDN-SNVBAGLBSA-N 2 1 243.351 -0.456 20 0 BBADMP CC[C@H](O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180104 641146467 /nfs/dbraw/zinc/14/64/67/641146467.db2.gz IGXIOXYIODNASG-QWRGUYRKSA-N 2 1 243.351 -0.456 20 0 BBADMP C[C@H](O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180107 641145975 /nfs/dbraw/zinc/14/59/75/641145975.db2.gz WQTMCTRXSQSJAS-UWVGGRQHSA-N 2 1 229.324 -0.846 20 0 BBADMP C[C@@H](O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180109 641146090 /nfs/dbraw/zinc/14/60/90/641146090.db2.gz WQTMCTRXSQSJAS-ZJUUUORDSA-N 2 1 229.324 -0.846 20 0 BBADMP CCOCC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180217 170397964 /nfs/dbraw/zinc/39/79/64/170397964.db2.gz JLVCSMLFJVRDNY-NSHDSACASA-N 2 1 243.351 -0.190 20 0 BBADMP CCOCC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063180219 170398168 /nfs/dbraw/zinc/39/81/68/170398168.db2.gz JLVCSMLFJVRDNY-LLVKDONJSA-N 2 1 243.351 -0.190 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)NC(N)=O ZINC000063195123 386553585 /nfs/dbraw/zinc/55/35/85/386553585.db2.gz KRCGGXPAMMLEKY-IUCAKERBSA-N 2 1 242.323 -0.227 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)NC(N)=O ZINC000063195123 386553582 /nfs/dbraw/zinc/55/35/82/386553582.db2.gz KRCGGXPAMMLEKY-IUCAKERBSA-N 2 1 242.323 -0.227 20 0 BBADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)NC(N)=O ZINC000063195124 386552769 /nfs/dbraw/zinc/55/27/69/386552769.db2.gz KRCGGXPAMMLEKY-BDAKNGLRSA-N 2 1 242.323 -0.227 20 0 BBADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)NC(N)=O ZINC000063195124 386552765 /nfs/dbraw/zinc/55/27/65/386552765.db2.gz KRCGGXPAMMLEKY-BDAKNGLRSA-N 2 1 242.323 -0.227 20 0 BBADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)NC(N)=O ZINC000063195125 386553162 /nfs/dbraw/zinc/55/31/62/386553162.db2.gz KRCGGXPAMMLEKY-DTWKUNHWSA-N 2 1 242.323 -0.227 20 0 BBADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)NC(N)=O ZINC000063195125 386553160 /nfs/dbraw/zinc/55/31/60/386553160.db2.gz KRCGGXPAMMLEKY-DTWKUNHWSA-N 2 1 242.323 -0.227 20 0 BBADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)NC(N)=O ZINC000063195126 386553343 /nfs/dbraw/zinc/55/33/43/386553343.db2.gz KRCGGXPAMMLEKY-RKDXNWHRSA-N 2 1 242.323 -0.227 20 0 BBADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)NC(N)=O ZINC000063195126 386553340 /nfs/dbraw/zinc/55/33/40/386553340.db2.gz KRCGGXPAMMLEKY-RKDXNWHRSA-N 2 1 242.323 -0.227 20 0 BBADMP C=CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000066244931 643164730 /nfs/dbraw/zinc/16/47/30/643164730.db2.gz VOMIOCIYVGPZRL-UHFFFAOYSA-N 2 1 226.324 -0.201 20 0 BBADMP COCCNC(=[NH2+])NCCC[N@@H+](C)CCOC ZINC000066245514 632861637 /nfs/dbraw/zinc/86/16/37/632861637.db2.gz PGWGBCFMTYHFOE-UHFFFAOYSA-N 2 1 246.355 -0.495 20 0 BBADMP CNC(NCCC[N@@H+](C)CCOC)=[NH+]C ZINC000066245521 632861791 /nfs/dbraw/zinc/86/17/91/632861791.db2.gz HLCJUEWHCSPWLI-UHFFFAOYSA-N 2 1 216.329 -0.251 20 0 BBADMP COCCNC(=[NH2+])NCC[N@@H+](C)C(C)C ZINC000066246563 643165447 /nfs/dbraw/zinc/16/54/47/643165447.db2.gz MCBOVNYGKGFFDI-UHFFFAOYSA-N 2 1 216.329 -0.123 20 0 BBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(C)(C)C[NH3+] ZINC000068805580 173077109 /nfs/dbraw/zinc/07/71/09/173077109.db2.gz JONUVJUDDFHOAG-SNVBAGLBSA-N 2 1 242.367 -0.667 20 0 BBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(C)(C)C[NH3+] ZINC000068805584 173073829 /nfs/dbraw/zinc/07/38/29/173073829.db2.gz JONUVJUDDFHOAG-JTQLQIEISA-N 2 1 242.367 -0.667 20 0 BBADMP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000068807398 187272471 /nfs/dbraw/zinc/27/24/71/187272471.db2.gz DMOSOBNMKNJMOO-MNOVXSKESA-N 2 1 242.367 -0.668 20 0 BBADMP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000068807404 384927067 /nfs/dbraw/zinc/92/70/67/384927067.db2.gz DMOSOBNMKNJMOO-GHMZBOCLSA-N 2 1 242.367 -0.668 20 0 BBADMP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000068807406 188301481 /nfs/dbraw/zinc/30/14/81/188301481.db2.gz DMOSOBNMKNJMOO-QWRGUYRKSA-N 2 1 242.367 -0.668 20 0 BBADMP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000068807409 384927354 /nfs/dbraw/zinc/92/73/54/384927354.db2.gz DMOSOBNMKNJMOO-WDEREUQCSA-N 2 1 242.367 -0.668 20 0 BBADMP CCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000068807476 350288586 /nfs/dbraw/zinc/28/85/86/350288586.db2.gz DBNBHHCRIUIARX-MNOVXSKESA-N 2 1 242.367 -0.524 20 0 BBADMP CCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000068807479 387108672 /nfs/dbraw/zinc/10/86/72/387108672.db2.gz DBNBHHCRIUIARX-GHMZBOCLSA-N 2 1 242.367 -0.524 20 0 BBADMP CCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000068807485 387107613 /nfs/dbraw/zinc/10/76/13/387107613.db2.gz DBNBHHCRIUIARX-QWRGUYRKSA-N 2 1 242.367 -0.524 20 0 BBADMP CCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000068807488 387107932 /nfs/dbraw/zinc/10/79/32/387107932.db2.gz DBNBHHCRIUIARX-WDEREUQCSA-N 2 1 242.367 -0.524 20 0 BBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C[NH2+]C1CC1 ZINC000068807492 349936398 /nfs/dbraw/zinc/93/63/98/349936398.db2.gz GVTBJUNPHAYMCJ-LLVKDONJSA-N 2 1 240.351 -0.900 20 0 BBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000068807558 173075563 /nfs/dbraw/zinc/07/55/63/173075563.db2.gz LAKFYQQMXMSDRK-MNOVXSKESA-N 2 1 240.351 -0.900 20 0 BBADMP CC(C)[NH2+]CC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000068807947 490131295 /nfs/dbraw/zinc/13/12/95/490131295.db2.gz VTSHQMXTSSSQJT-LLVKDONJSA-N 2 1 242.367 -0.654 20 0 BBADMP CC(C)[NH2+]CC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000068807949 490131752 /nfs/dbraw/zinc/13/17/52/490131752.db2.gz VTSHQMXTSSSQJT-NSHDSACASA-N 2 1 242.367 -0.654 20 0 BBADMP CNC(=O)CCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000068819982 411416293 /nfs/dbraw/zinc/41/62/93/411416293.db2.gz URQQWNRJKXNBAS-UHFFFAOYSA-N 2 1 242.367 -0.650 20 0 BBADMP COC[C@@H](O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000068892312 643433231 /nfs/dbraw/zinc/43/32/31/643433231.db2.gz NJJIZFYMELGRCO-JTQLQIEISA-N 2 1 202.298 -0.323 20 0 BBADMP COC[C@H](O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000068892313 643432307 /nfs/dbraw/zinc/43/23/07/643432307.db2.gz NJJIZFYMELGRCO-SNVBAGLBSA-N 2 1 202.298 -0.323 20 0 BBADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H](O)COC)C1 ZINC000068892318 642806718 /nfs/dbraw/zinc/80/67/18/642806718.db2.gz COBKLAOLFBTIMP-QWRGUYRKSA-N 2 1 216.325 -0.075 20 0 BBADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H](O)COC)C1 ZINC000068892319 642807775 /nfs/dbraw/zinc/80/77/75/642807775.db2.gz COBKLAOLFBTIMP-MNOVXSKESA-N 2 1 216.325 -0.075 20 0 BBADMP COC[C@H](O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000068892326 642807455 /nfs/dbraw/zinc/80/74/55/642807455.db2.gz GXWLXIFWJVFUFW-NXEZZACHSA-N 2 1 202.298 -0.336 20 0 BBADMP COC[C@@H](O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000068892327 643433077 /nfs/dbraw/zinc/43/30/77/643433077.db2.gz GXWLXIFWJVFUFW-ZJUUUORDSA-N 2 1 202.298 -0.336 20 0 BBADMP CCOC[C@H](O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000068953533 643437472 /nfs/dbraw/zinc/43/74/72/643437472.db2.gz HTQKYNJLUDTBTO-NXEZZACHSA-N 2 1 202.298 -0.336 20 0 BBADMP CCOC[C@@H](O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000068953535 643436702 /nfs/dbraw/zinc/43/67/02/643436702.db2.gz HTQKYNJLUDTBTO-ZJUUUORDSA-N 2 1 202.298 -0.336 20 0 BBADMP CCOC[C@H](O)C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000068953568 643437679 /nfs/dbraw/zinc/43/76/79/643437679.db2.gz OSMQDHRPHYJMTK-GHMZBOCLSA-N 2 1 216.325 -0.075 20 0 BBADMP CCOC[C@@H](O)C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000068953571 643437560 /nfs/dbraw/zinc/43/75/60/643437560.db2.gz OSMQDHRPHYJMTK-MNOVXSKESA-N 2 1 216.325 -0.075 20 0 BBADMP CCOC[C@H](O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000069280104 642846032 /nfs/dbraw/zinc/84/60/32/642846032.db2.gz NWKLDOCZWYCVMX-GFCCVEGCSA-N 2 1 245.367 -0.779 20 0 BBADMP CCOC[C@@H](O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000069280109 642846011 /nfs/dbraw/zinc/84/60/11/642846011.db2.gz NWKLDOCZWYCVMX-LBPRGKRZSA-N 2 1 245.367 -0.779 20 0 BBADMP C[N@@H+](CCN1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000069606414 388852160 /nfs/dbraw/zinc/85/21/60/388852160.db2.gz NTFZYMASMWHGGY-LLVKDONJSA-N 2 1 213.325 -0.388 20 0 BBADMP C[N@@H+](CCN1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000069606415 388851181 /nfs/dbraw/zinc/85/11/81/388851181.db2.gz NTFZYMASMWHGGY-NSHDSACASA-N 2 1 213.325 -0.388 20 0 BBADMP NC(=O)NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069626348 349951087 /nfs/dbraw/zinc/95/10/87/349951087.db2.gz IOZJYRUOOIAEQZ-MRVPVSSYSA-N 2 1 228.296 -0.758 20 0 BBADMP NC(=O)NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069626350 349951033 /nfs/dbraw/zinc/95/10/33/349951033.db2.gz IOZJYRUOOIAEQZ-QMMMGPOBSA-N 2 1 228.296 -0.758 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)CCCC[NH3+] ZINC000069734273 349956327 /nfs/dbraw/zinc/95/63/27/349956327.db2.gz QZLVFWRRGVTMIU-UHFFFAOYSA-N 2 1 231.340 -0.190 20 0 BBADMP C[NH2+]CCN(C)C(=O)[C@@H]1CSC[NH2+]1 ZINC000069803182 349960804 /nfs/dbraw/zinc/96/08/04/349960804.db2.gz IPFZXBHOLOXUMA-ZETCQYMHSA-N 2 1 203.311 -0.673 20 0 BBADMP C[NH2+]CCN(C)C(=O)[C@H]1CSC[NH2+]1 ZINC000069803184 349960766 /nfs/dbraw/zinc/96/07/66/349960766.db2.gz IPFZXBHOLOXUMA-SSDOTTSWSA-N 2 1 203.311 -0.673 20 0 BBADMP C[C@H]([NH3+])CCC(=O)N1CC[NH+](CCO)CC1 ZINC000069839133 398249369 /nfs/dbraw/zinc/24/93/69/398249369.db2.gz OPISWGKMTHPNDX-JTQLQIEISA-N 2 1 229.324 -0.750 20 0 BBADMP C[C@@H]([NH3+])CCC(=O)N1CC[NH+](CCO)CC1 ZINC000069839134 398249362 /nfs/dbraw/zinc/24/93/62/398249362.db2.gz OPISWGKMTHPNDX-SNVBAGLBSA-N 2 1 229.324 -0.750 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)CC[C@H](C)[NH3+] ZINC000069840245 174277494 /nfs/dbraw/zinc/27/74/94/174277494.db2.gz BSAYIAZCKIPZQT-JTQLQIEISA-N 2 1 231.340 -0.192 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)CC[C@@H](C)[NH3+] ZINC000069840246 174277979 /nfs/dbraw/zinc/27/79/79/174277979.db2.gz BSAYIAZCKIPZQT-SNVBAGLBSA-N 2 1 231.340 -0.192 20 0 BBADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074299 387044362 /nfs/dbraw/zinc/04/43/62/387044362.db2.gz XARKYGPWPNDGMH-DTWKUNHWSA-N 2 1 242.323 -0.369 20 0 BBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074300 176568783 /nfs/dbraw/zinc/56/87/83/176568783.db2.gz XARKYGPWPNDGMH-RKDXNWHRSA-N 2 1 242.323 -0.369 20 0 BBADMP CC(C)([NH3+])CCC(=O)N1CC[NH+](CCO)CC1 ZINC000070086631 487538755 /nfs/dbraw/zinc/53/87/55/487538755.db2.gz KYJNPQWNKGVSGN-UHFFFAOYSA-N 2 1 243.351 -0.360 20 0 BBADMP NC(=O)NC(=O)CC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000070149446 398220846 /nfs/dbraw/zinc/22/08/46/398220846.db2.gz KMZZMJUZWHBNRD-VIFPVBQESA-N 2 1 242.323 -0.225 20 0 BBADMP NC(=O)NC(=O)CC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070149447 398221109 /nfs/dbraw/zinc/22/11/09/398221109.db2.gz KMZZMJUZWHBNRD-SECBINFHSA-N 2 1 242.323 -0.225 20 0 BBADMP NC(=O)NC(=O)CC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070170517 387046200 /nfs/dbraw/zinc/04/62/00/387046200.db2.gz INQWDNKPNAEBBR-SECBINFHSA-N 2 1 242.323 -0.368 20 0 BBADMP NC(=O)NC(=O)CC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070170518 387047007 /nfs/dbraw/zinc/04/70/07/387047007.db2.gz INQWDNKPNAEBBR-VIFPVBQESA-N 2 1 242.323 -0.368 20 0 BBADMP CNC(=O)NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070170950 173286751 /nfs/dbraw/zinc/28/67/51/173286751.db2.gz OBQORFHTNAYPMP-SECBINFHSA-N 2 1 242.323 -0.497 20 0 BBADMP CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070170951 173287066 /nfs/dbraw/zinc/28/70/66/173287066.db2.gz OBQORFHTNAYPMP-VIFPVBQESA-N 2 1 242.323 -0.497 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000070173761 387046043 /nfs/dbraw/zinc/04/60/43/387046043.db2.gz BBTYZRXNSBKKOS-DTWKUNHWSA-N 2 1 242.323 -0.369 20 0 BBADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000070173762 387046005 /nfs/dbraw/zinc/04/60/05/387046005.db2.gz BBTYZRXNSBKKOS-RKDXNWHRSA-N 2 1 242.323 -0.369 20 0 BBADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000070173763 387046662 /nfs/dbraw/zinc/04/66/62/387046662.db2.gz BBTYZRXNSBKKOS-IUCAKERBSA-N 2 1 242.323 -0.369 20 0 BBADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000070173764 387047154 /nfs/dbraw/zinc/04/71/54/387047154.db2.gz BBTYZRXNSBKKOS-BDAKNGLRSA-N 2 1 242.323 -0.369 20 0 BBADMP C[C@@H]1CCC[N@@H+](CCC(=O)NC(N)=O)[C@@H]1C[NH3+] ZINC000070177587 176096122 /nfs/dbraw/zinc/09/61/22/176096122.db2.gz JSANIZKXGOYKHH-RKDXNWHRSA-N 2 1 242.323 -0.369 20 0 BBADMP C[C@@H]1CCC[N@H+](CCC(=O)NC(N)=O)[C@@H]1C[NH3+] ZINC000070177587 176096121 /nfs/dbraw/zinc/09/61/21/176096121.db2.gz JSANIZKXGOYKHH-RKDXNWHRSA-N 2 1 242.323 -0.369 20 0 BBADMP C[C@H]1CCC[N@@H+](CCC(=O)NC(N)=O)[C@@H]1C[NH3+] ZINC000070177588 177098047 /nfs/dbraw/zinc/09/80/47/177098047.db2.gz JSANIZKXGOYKHH-DTWKUNHWSA-N 2 1 242.323 -0.369 20 0 BBADMP C[C@H]1CCC[N@H+](CCC(=O)NC(N)=O)[C@@H]1C[NH3+] ZINC000070177588 177098046 /nfs/dbraw/zinc/09/80/46/177098046.db2.gz JSANIZKXGOYKHH-DTWKUNHWSA-N 2 1 242.323 -0.369 20 0 BBADMP [NH3+]CCCCC(=O)NCCC[NH+]1CCOCC1 ZINC000070201655 349976178 /nfs/dbraw/zinc/97/61/78/349976178.db2.gz DJULZLOHZBAOED-UHFFFAOYSA-N 2 1 243.351 -0.046 20 0 BBADMP C[C@H]([NH3+])CCC(=O)NCCC[NH+]1CCOCC1 ZINC000070314928 387062864 /nfs/dbraw/zinc/06/28/64/387062864.db2.gz ZDVXRHGOEIFEEL-NSHDSACASA-N 2 1 243.351 -0.048 20 0 BBADMP C[C@@H]([NH3+])CCC(=O)NCCC[NH+]1CCOCC1 ZINC000070314929 387063457 /nfs/dbraw/zinc/06/34/57/387063457.db2.gz ZDVXRHGOEIFEEL-LLVKDONJSA-N 2 1 243.351 -0.048 20 0 BBADMP COCCOCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000070481636 411170201 /nfs/dbraw/zinc/17/02/01/411170201.db2.gz HJTVOYUWNDJZCM-UHFFFAOYSA-N 2 1 245.367 -0.514 20 0 BBADMP CN1CC[C@H]([N@H+]2CCC[C@H](C[NH3+])C2)C1=O ZINC000070583831 361570035 /nfs/dbraw/zinc/57/00/35/361570035.db2.gz YRCAOPSBFCNJGF-ZJUUUORDSA-N 2 1 211.309 -0.112 20 0 BBADMP CN1CC[C@H]([N@@H+]2CCC[C@H](C[NH3+])C2)C1=O ZINC000070583831 361570032 /nfs/dbraw/zinc/57/00/32/361570032.db2.gz YRCAOPSBFCNJGF-ZJUUUORDSA-N 2 1 211.309 -0.112 20 0 BBADMP CN1CC[C@@H]([N@H+]2CCC[C@H](C[NH3+])C2)C1=O ZINC000070583832 361570248 /nfs/dbraw/zinc/57/02/48/361570248.db2.gz YRCAOPSBFCNJGF-NXEZZACHSA-N 2 1 211.309 -0.112 20 0 BBADMP CN1CC[C@@H]([N@@H+]2CCC[C@H](C[NH3+])C2)C1=O ZINC000070583832 361570247 /nfs/dbraw/zinc/57/02/47/361570247.db2.gz YRCAOPSBFCNJGF-NXEZZACHSA-N 2 1 211.309 -0.112 20 0 BBADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000070583847 350032673 /nfs/dbraw/zinc/03/26/73/350032673.db2.gz DNZZAUZUJOHCRI-VHSXEESVSA-N 2 1 211.309 -0.242 20 0 BBADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000070583847 350032670 /nfs/dbraw/zinc/03/26/70/350032670.db2.gz DNZZAUZUJOHCRI-VHSXEESVSA-N 2 1 211.309 -0.242 20 0 BBADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000070583848 350032778 /nfs/dbraw/zinc/03/27/78/350032778.db2.gz DNZZAUZUJOHCRI-NXEZZACHSA-N 2 1 211.309 -0.242 20 0 BBADMP C[NH2+]C[C@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000070583848 350032775 /nfs/dbraw/zinc/03/27/75/350032775.db2.gz DNZZAUZUJOHCRI-NXEZZACHSA-N 2 1 211.309 -0.242 20 0 BBADMP C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000070584348 188113438 /nfs/dbraw/zinc/11/34/38/188113438.db2.gz GFHBDBLGXGABGC-LLVKDONJSA-N 2 1 213.325 -0.388 20 0 BBADMP C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000070584349 383935814 /nfs/dbraw/zinc/93/58/14/383935814.db2.gz GFHBDBLGXGABGC-NSHDSACASA-N 2 1 213.325 -0.388 20 0 BBADMP C[C@@H](C[NH+]1CCOCC1)N1CC[C@H]([NH3+])C1 ZINC000070586150 350032790 /nfs/dbraw/zinc/03/27/90/350032790.db2.gz UMXIPKZOCDAREP-QWRGUYRKSA-N 2 1 213.325 -0.260 20 0 BBADMP C[C@H](C[NH+]1CCOCC1)N1CC[C@H]([NH3+])C1 ZINC000070586151 350032837 /nfs/dbraw/zinc/03/28/37/350032837.db2.gz UMXIPKZOCDAREP-MNOVXSKESA-N 2 1 213.325 -0.260 20 0 BBADMP COC[C@@H](O)C[NH2+]CCn1cc[nH+]c1C ZINC000070590422 350026249 /nfs/dbraw/zinc/02/62/49/350026249.db2.gz LBLLWKLMRSPFKB-JTQLQIEISA-N 2 1 213.281 -0.212 20 0 BBADMP COC[C@H](O)C[NH2+]CCn1cc[nH+]c1C ZINC000070590423 350026641 /nfs/dbraw/zinc/02/66/41/350026641.db2.gz LBLLWKLMRSPFKB-SNVBAGLBSA-N 2 1 213.281 -0.212 20 0 BBADMP COC[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000070590432 350026469 /nfs/dbraw/zinc/02/64/69/350026469.db2.gz YUEGUYSZQRJWOG-WDEREUQCSA-N 2 1 232.324 -0.960 20 0 BBADMP COC[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000070590433 350026401 /nfs/dbraw/zinc/02/64/01/350026401.db2.gz YUEGUYSZQRJWOG-QWRGUYRKSA-N 2 1 232.324 -0.960 20 0 BBADMP COC[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000070590434 350026277 /nfs/dbraw/zinc/02/62/77/350026277.db2.gz YUEGUYSZQRJWOG-GHMZBOCLSA-N 2 1 232.324 -0.960 20 0 BBADMP COC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000070590435 350026693 /nfs/dbraw/zinc/02/66/93/350026693.db2.gz YUEGUYSZQRJWOG-MNOVXSKESA-N 2 1 232.324 -0.960 20 0 BBADMP CC[C@@H](COC)[NH2+]C[C@H](O)C[NH+](C)C ZINC000070625568 343336058 /nfs/dbraw/zinc/33/60/58/343336058.db2.gz OZJXPROGDRLJOL-UWVGGRQHSA-N 2 1 204.314 -0.077 20 0 BBADMP CC[C@H](COC)[NH2+]C[C@H](O)C[NH+](C)C ZINC000070625569 343335885 /nfs/dbraw/zinc/33/58/85/343335885.db2.gz OZJXPROGDRLJOL-ZJUUUORDSA-N 2 1 204.314 -0.077 20 0 BBADMP CC[C@@H](COC)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000070625570 350555191 /nfs/dbraw/zinc/55/51/91/350555191.db2.gz OZJXPROGDRLJOL-VHSXEESVSA-N 2 1 204.314 -0.077 20 0 BBADMP CC[C@H](COC)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000070625571 343335823 /nfs/dbraw/zinc/33/58/23/343335823.db2.gz OZJXPROGDRLJOL-NXEZZACHSA-N 2 1 204.314 -0.077 20 0 BBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCOC1 ZINC000070800405 350059202 /nfs/dbraw/zinc/05/92/02/350059202.db2.gz XSJTWUSQVWMZFK-LBPRGKRZSA-N 2 1 227.352 -0.140 20 0 BBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H]1CCOC1 ZINC000070800407 350059606 /nfs/dbraw/zinc/05/96/06/350059606.db2.gz XSJTWUSQVWMZFK-GFCCVEGCSA-N 2 1 227.352 -0.140 20 0 BBADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(C)(C)O ZINC000070800563 411183563 /nfs/dbraw/zinc/18/35/63/411183563.db2.gz PXUJXKWMLKYBAS-UHFFFAOYSA-N 2 1 215.341 -0.406 20 0 BBADMP CC[C@H](O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000070800569 643069588 /nfs/dbraw/zinc/06/95/88/643069588.db2.gz DXEOJROTABSEOK-NSHDSACASA-N 2 1 215.341 -0.406 20 0 BBADMP C[C@H](O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000070800573 643070214 /nfs/dbraw/zinc/07/02/14/643070214.db2.gz JULZICFJBALQEM-JTQLQIEISA-N 2 1 201.314 -0.796 20 0 BBADMP C[C@@H](O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000070800574 643069780 /nfs/dbraw/zinc/06/97/80/643069780.db2.gz JULZICFJBALQEM-SNVBAGLBSA-N 2 1 201.314 -0.796 20 0 BBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000070800584 411183580 /nfs/dbraw/zinc/18/35/80/411183580.db2.gz JREIDFOPCAMOKQ-JTQLQIEISA-N 2 1 228.340 -0.913 20 0 BBADMP CC[C@H](C(N)=O)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000070800587 411183776 /nfs/dbraw/zinc/18/37/76/411183776.db2.gz JREIDFOPCAMOKQ-SNVBAGLBSA-N 2 1 228.340 -0.913 20 0 BBADMP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)C1CC1 ZINC000070886185 643079657 /nfs/dbraw/zinc/07/96/57/643079657.db2.gz NUFKYBHUDUJZQC-ZJUUUORDSA-N 2 1 202.298 -0.731 20 0 BBADMP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)C1CC1 ZINC000070886189 643078455 /nfs/dbraw/zinc/07/84/55/643078455.db2.gz NUFKYBHUDUJZQC-UWVGGRQHSA-N 2 1 202.298 -0.731 20 0 BBADMP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)C1CC1 ZINC000070886195 643080378 /nfs/dbraw/zinc/08/03/78/643080378.db2.gz NUFKYBHUDUJZQC-NXEZZACHSA-N 2 1 202.298 -0.731 20 0 BBADMP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)C1CC1 ZINC000070886203 643079194 /nfs/dbraw/zinc/07/91/94/643079194.db2.gz NUFKYBHUDUJZQC-VHSXEESVSA-N 2 1 202.298 -0.731 20 0 BBADMP C[NH2+]C[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000071146590 173370443 /nfs/dbraw/zinc/37/04/43/173370443.db2.gz YYYIJHKIVASDRS-JTQLQIEISA-N 2 1 239.319 -0.323 20 0 BBADMP C[NH2+]C[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC000071146590 173370442 /nfs/dbraw/zinc/37/04/42/173370442.db2.gz YYYIJHKIVASDRS-JTQLQIEISA-N 2 1 239.319 -0.323 20 0 BBADMP C[NH2+]C[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000071146592 173382004 /nfs/dbraw/zinc/38/20/04/173382004.db2.gz YYYIJHKIVASDRS-SNVBAGLBSA-N 2 1 239.319 -0.323 20 0 BBADMP C[NH2+]C[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC000071146592 173382003 /nfs/dbraw/zinc/38/20/03/173382003.db2.gz YYYIJHKIVASDRS-SNVBAGLBSA-N 2 1 239.319 -0.323 20 0 BBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000071146599 173369936 /nfs/dbraw/zinc/36/99/36/173369936.db2.gz CMLKVOGGZIZDSQ-VIFPVBQESA-N 2 1 242.323 -0.627 20 0 BBADMP Cn1nccc1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071149095 411334976 /nfs/dbraw/zinc/33/49/76/411334976.db2.gz OHSDUDBXMIGHDX-UHFFFAOYSA-N 2 1 237.351 -0.243 20 0 BBADMP Cn1nccc1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071149095 411334970 /nfs/dbraw/zinc/33/49/70/411334970.db2.gz OHSDUDBXMIGHDX-UHFFFAOYSA-N 2 1 237.351 -0.243 20 0 BBADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cnccn1 ZINC000071150149 350089210 /nfs/dbraw/zinc/08/92/10/350089210.db2.gz PHBQDEINXDRLOK-UHFFFAOYSA-N 2 1 235.335 -0.186 20 0 BBADMP C[N@H+](CCN1CC[NH2+]CC1)Cc1cnccn1 ZINC000071150149 350089208 /nfs/dbraw/zinc/08/92/08/350089208.db2.gz PHBQDEINXDRLOK-UHFFFAOYSA-N 2 1 235.335 -0.186 20 0 BBADMP COC(=O)[C@@H](C)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150581 387094949 /nfs/dbraw/zinc/09/49/49/387094949.db2.gz QLOXJKXPOPBXSW-NSHDSACASA-N 2 1 243.351 -0.368 20 0 BBADMP COC(=O)[C@H](C)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150583 187359335 /nfs/dbraw/zinc/35/93/35/187359335.db2.gz QLOXJKXPOPBXSW-LLVKDONJSA-N 2 1 243.351 -0.368 20 0 BBADMP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150697 411337289 /nfs/dbraw/zinc/33/72/89/411337289.db2.gz LVHFMLLRRCMSLC-NSHDSACASA-N 2 1 242.367 -0.700 20 0 BBADMP C[C@@H](C(=O)N(C)C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150697 411337286 /nfs/dbraw/zinc/33/72/86/411337286.db2.gz LVHFMLLRRCMSLC-NSHDSACASA-N 2 1 242.367 -0.700 20 0 BBADMP C[C@H](C(=O)N(C)C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150699 411336940 /nfs/dbraw/zinc/33/69/40/411336940.db2.gz LVHFMLLRRCMSLC-LLVKDONJSA-N 2 1 242.367 -0.700 20 0 BBADMP C[C@H](C(=O)N(C)C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150699 411336937 /nfs/dbraw/zinc/33/69/37/411336937.db2.gz LVHFMLLRRCMSLC-LLVKDONJSA-N 2 1 242.367 -0.700 20 0 BBADMP CN(C)C(=O)CC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150885 384662061 /nfs/dbraw/zinc/66/20/61/384662061.db2.gz OZTQHRBUCDRETO-UHFFFAOYSA-N 2 1 242.367 -0.698 20 0 BBADMP C[N@@H+](CCn1cccn1)CCN1CC[NH2+]CC1 ZINC000071150907 387093966 /nfs/dbraw/zinc/09/39/66/387093966.db2.gz MDTRKZVELSUTDQ-UHFFFAOYSA-N 2 1 237.351 -0.280 20 0 BBADMP CN1CC[C@H]([N@@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000071184675 411357202 /nfs/dbraw/zinc/35/72/02/411357202.db2.gz AKNIZCKFBVZAMV-NSHDSACASA-N 2 1 240.351 -0.946 20 0 BBADMP CN1CC[C@@H]([N@@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000071184676 411356583 /nfs/dbraw/zinc/35/65/83/411356583.db2.gz AKNIZCKFBVZAMV-LLVKDONJSA-N 2 1 240.351 -0.946 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH+](C)C)C1 ZINC000073154229 368796713 /nfs/dbraw/zinc/79/67/13/368796713.db2.gz RWONRISGRHZXIV-NSHDSACASA-N 2 1 243.351 -0.225 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH+](C)C)C1 ZINC000073154229 368796711 /nfs/dbraw/zinc/79/67/11/368796711.db2.gz RWONRISGRHZXIV-NSHDSACASA-N 2 1 243.351 -0.225 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH+](C)C)C1 ZINC000073154231 368796487 /nfs/dbraw/zinc/79/64/87/368796487.db2.gz RWONRISGRHZXIV-LLVKDONJSA-N 2 1 243.351 -0.225 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH+](C)C)C1 ZINC000073154231 368796485 /nfs/dbraw/zinc/79/64/85/368796485.db2.gz RWONRISGRHZXIV-LLVKDONJSA-N 2 1 243.351 -0.225 20 0 BBADMP CC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000073644122 368811772 /nfs/dbraw/zinc/81/17/72/368811772.db2.gz OEUDGAUDTMTTKE-NSHDSACASA-N 2 1 243.351 -0.225 20 0 BBADMP CC[NH+](C)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000073644122 368811768 /nfs/dbraw/zinc/81/17/68/368811768.db2.gz OEUDGAUDTMTTKE-NSHDSACASA-N 2 1 243.351 -0.225 20 0 BBADMP CC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000073644122 368811764 /nfs/dbraw/zinc/81/17/64/368811764.db2.gz OEUDGAUDTMTTKE-NSHDSACASA-N 2 1 243.351 -0.225 20 0 BBADMP CC[N@H+](C)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000073644122 368811759 /nfs/dbraw/zinc/81/17/59/368811759.db2.gz OEUDGAUDTMTTKE-NSHDSACASA-N 2 1 243.351 -0.225 20 0 BBADMP CC[NH+](C)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000073644124 368812391 /nfs/dbraw/zinc/81/23/91/368812391.db2.gz OEUDGAUDTMTTKE-LLVKDONJSA-N 2 1 243.351 -0.225 20 0 BBADMP CC[NH+](C)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000073644124 368812386 /nfs/dbraw/zinc/81/23/86/368812386.db2.gz OEUDGAUDTMTTKE-LLVKDONJSA-N 2 1 243.351 -0.225 20 0 BBADMP CC[N@@H+](C)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000073644124 368812380 /nfs/dbraw/zinc/81/23/80/368812380.db2.gz OEUDGAUDTMTTKE-LLVKDONJSA-N 2 1 243.351 -0.225 20 0 BBADMP CC[N@H+](C)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000073644124 368812375 /nfs/dbraw/zinc/81/23/75/368812375.db2.gz OEUDGAUDTMTTKE-LLVKDONJSA-N 2 1 243.351 -0.225 20 0 BBADMP C[NH+](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC000074693881 643092965 /nfs/dbraw/zinc/09/29/65/643092965.db2.gz PXKWKBITEJPPOD-UHFFFAOYSA-N 2 1 229.324 -0.614 20 0 BBADMP C[NH+](C)CCCNC(=O)CC[NH+]1CCOCC1 ZINC000074693883 643094446 /nfs/dbraw/zinc/09/44/46/643094446.db2.gz OJPFNABZJJFKFM-UHFFFAOYSA-N 2 1 243.351 -0.223 20 0 BBADMP C[N@@H+](CCS(N)(=O)=O)CC1CC[NH+](C)CC1 ZINC000077282172 711464477 /nfs/dbraw/zinc/46/44/77/711464477.db2.gz QQPYHOYRRBERCV-UHFFFAOYSA-N 2 1 249.380 -0.452 20 0 BBADMP COC[C@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000078441463 370564739 /nfs/dbraw/zinc/56/47/39/370564739.db2.gz VWALFNPDEPHDOU-KXUCPTDWSA-N 2 1 200.282 -0.855 20 0 BBADMP COC[C@@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000078441465 370564078 /nfs/dbraw/zinc/56/40/78/370564078.db2.gz VWALFNPDEPHDOU-AEJSXWLSSA-N 2 1 200.282 -0.855 20 0 BBADMP CCOC[C@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000078642977 370583550 /nfs/dbraw/zinc/58/35/50/370583550.db2.gz SBYGLOSIXNTVRE-OUAUKWLOSA-N 2 1 214.309 -0.465 20 0 BBADMP CCOC[C@@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000078642980 370583611 /nfs/dbraw/zinc/58/36/11/370583611.db2.gz SBYGLOSIXNTVRE-AXFHLTTASA-N 2 1 214.309 -0.465 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079521204 487641386 /nfs/dbraw/zinc/64/13/86/487641386.db2.gz PUPMJLPKOIWWBA-LBPRGKRZSA-N 2 1 243.351 -0.177 20 0 BBADMP COC[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000081134984 345463529 /nfs/dbraw/zinc/46/35/29/345463529.db2.gz KBZCITJRGYNQAB-LBPRGKRZSA-N 2 1 243.351 -0.761 20 0 BBADMP COC[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000081134984 345463527 /nfs/dbraw/zinc/46/35/27/345463527.db2.gz KBZCITJRGYNQAB-LBPRGKRZSA-N 2 1 243.351 -0.761 20 0 BBADMP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081229994 345468000 /nfs/dbraw/zinc/46/80/00/345468000.db2.gz CRGZJBMYMFWHGP-JTQLQIEISA-N 2 1 243.351 -0.227 20 0 BBADMP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081229994 345467997 /nfs/dbraw/zinc/46/79/97/345467997.db2.gz CRGZJBMYMFWHGP-JTQLQIEISA-N 2 1 243.351 -0.227 20 0 BBADMP C[NH+](C)C(C)(C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081229995 345468184 /nfs/dbraw/zinc/46/81/84/345468184.db2.gz CRGZJBMYMFWHGP-SNVBAGLBSA-N 2 1 243.351 -0.227 20 0 BBADMP C[NH+](C)C(C)(C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081229995 345468181 /nfs/dbraw/zinc/46/81/81/345468181.db2.gz CRGZJBMYMFWHGP-SNVBAGLBSA-N 2 1 243.351 -0.227 20 0 BBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CCCC2)C1 ZINC000081234391 345468143 /nfs/dbraw/zinc/46/81/43/345468143.db2.gz OZFAJUXEUFXGGU-NSHDSACASA-N 2 1 241.335 -0.471 20 0 BBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CCCC2)C1 ZINC000081234391 345468141 /nfs/dbraw/zinc/46/81/41/345468141.db2.gz OZFAJUXEUFXGGU-NSHDSACASA-N 2 1 241.335 -0.471 20 0 BBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCCC2)C1 ZINC000081234392 345468048 /nfs/dbraw/zinc/46/80/48/345468048.db2.gz OZFAJUXEUFXGGU-LLVKDONJSA-N 2 1 241.335 -0.471 20 0 BBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCCC2)C1 ZINC000081234392 345468047 /nfs/dbraw/zinc/46/80/47/345468047.db2.gz OZFAJUXEUFXGGU-LLVKDONJSA-N 2 1 241.335 -0.471 20 0 BBADMP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081397101 345472418 /nfs/dbraw/zinc/47/24/18/345472418.db2.gz BOALFNXYKOFFFL-QWRGUYRKSA-N 2 1 243.351 -0.227 20 0 BBADMP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081397101 345472415 /nfs/dbraw/zinc/47/24/15/345472415.db2.gz BOALFNXYKOFFFL-QWRGUYRKSA-N 2 1 243.351 -0.227 20 0 BBADMP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081397102 345472658 /nfs/dbraw/zinc/47/26/58/345472658.db2.gz BOALFNXYKOFFFL-MNOVXSKESA-N 2 1 243.351 -0.227 20 0 BBADMP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081397102 345472657 /nfs/dbraw/zinc/47/26/57/345472657.db2.gz BOALFNXYKOFFFL-MNOVXSKESA-N 2 1 243.351 -0.227 20 0 BBADMP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081397104 345472620 /nfs/dbraw/zinc/47/26/20/345472620.db2.gz BOALFNXYKOFFFL-WDEREUQCSA-N 2 1 243.351 -0.227 20 0 BBADMP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081397104 345472619 /nfs/dbraw/zinc/47/26/19/345472619.db2.gz BOALFNXYKOFFFL-WDEREUQCSA-N 2 1 243.351 -0.227 20 0 BBADMP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081397106 359600776 /nfs/dbraw/zinc/60/07/76/359600776.db2.gz BOALFNXYKOFFFL-GHMZBOCLSA-N 2 1 243.351 -0.227 20 0 BBADMP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081397106 359600774 /nfs/dbraw/zinc/60/07/74/359600774.db2.gz BOALFNXYKOFFFL-GHMZBOCLSA-N 2 1 243.351 -0.227 20 0 BBADMP CC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081397270 388574349 /nfs/dbraw/zinc/57/43/49/388574349.db2.gz FRUKWWJVBQHLKC-JTQLQIEISA-N 2 1 229.324 -0.615 20 0 BBADMP CC[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081397270 388574347 /nfs/dbraw/zinc/57/43/47/388574347.db2.gz FRUKWWJVBQHLKC-JTQLQIEISA-N 2 1 229.324 -0.615 20 0 BBADMP CC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000081397270 388574345 /nfs/dbraw/zinc/57/43/45/388574345.db2.gz FRUKWWJVBQHLKC-JTQLQIEISA-N 2 1 229.324 -0.615 20 0 BBADMP CC[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000081397270 388574344 /nfs/dbraw/zinc/57/43/44/388574344.db2.gz FRUKWWJVBQHLKC-JTQLQIEISA-N 2 1 229.324 -0.615 20 0 BBADMP CC[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081397271 388574433 /nfs/dbraw/zinc/57/44/33/388574433.db2.gz FRUKWWJVBQHLKC-SNVBAGLBSA-N 2 1 229.324 -0.615 20 0 BBADMP CC[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081397271 388574430 /nfs/dbraw/zinc/57/44/30/388574430.db2.gz FRUKWWJVBQHLKC-SNVBAGLBSA-N 2 1 229.324 -0.615 20 0 BBADMP CC[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000081397271 388574428 /nfs/dbraw/zinc/57/44/28/388574428.db2.gz FRUKWWJVBQHLKC-SNVBAGLBSA-N 2 1 229.324 -0.615 20 0 BBADMP CC[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000081397271 388574426 /nfs/dbraw/zinc/57/44/26/388574426.db2.gz FRUKWWJVBQHLKC-SNVBAGLBSA-N 2 1 229.324 -0.615 20 0 BBADMP C[C@@H](CNC(=O)C[NH3+])C[NH+]1CCOCC1 ZINC000082254595 388017160 /nfs/dbraw/zinc/01/71/60/388017160.db2.gz XIIRNRWHYMBBCN-VIFPVBQESA-N 2 1 215.297 -0.970 20 0 BBADMP C[C@H](CNC(=O)C[NH3+])C[NH+]1CCOCC1 ZINC000082254596 388017916 /nfs/dbraw/zinc/01/79/16/388017916.db2.gz XIIRNRWHYMBBCN-SECBINFHSA-N 2 1 215.297 -0.970 20 0 BBADMP C[C@@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000082255819 347319083 /nfs/dbraw/zinc/31/90/83/347319083.db2.gz MYNGSKPMMSHUOE-VHSXEESVSA-N 2 1 229.324 -0.582 20 0 BBADMP C[C@H](CNC(=O)[C@@H](C)[NH3+])C[NH+]1CCOCC1 ZINC000082255820 347319166 /nfs/dbraw/zinc/31/91/66/347319166.db2.gz MYNGSKPMMSHUOE-NXEZZACHSA-N 2 1 229.324 -0.582 20 0 BBADMP C[C@@H](CNC(=O)[C@H](C)[NH3+])C[NH+]1CCOCC1 ZINC000082255821 347319261 /nfs/dbraw/zinc/31/92/61/347319261.db2.gz MYNGSKPMMSHUOE-UWVGGRQHSA-N 2 1 229.324 -0.582 20 0 BBADMP C[C@H](CNC(=O)[C@H](C)[NH3+])C[NH+]1CCOCC1 ZINC000082255822 347319106 /nfs/dbraw/zinc/31/91/06/347319106.db2.gz MYNGSKPMMSHUOE-ZJUUUORDSA-N 2 1 229.324 -0.582 20 0 BBADMP CCN1CC[NH+](CCCNC(=O)[C@@H](C)[NH3+])CC1 ZINC000082255903 388019235 /nfs/dbraw/zinc/01/92/35/388019235.db2.gz XTKJIIBMARGJDH-LLVKDONJSA-N 2 1 242.367 -0.523 20 0 BBADMP CCN1CC[NH+](CCCNC(=O)[C@H](C)[NH3+])CC1 ZINC000082255904 388018816 /nfs/dbraw/zinc/01/88/16/388018816.db2.gz XTKJIIBMARGJDH-NSHDSACASA-N 2 1 242.367 -0.523 20 0 BBADMP C[C@@H](CNC(=O)CC[NH3+])C[NH+]1CCOCC1 ZINC000082256161 135431259 /nfs/dbraw/zinc/43/12/59/135431259.db2.gz BYTZUSOZPXJGGR-JTQLQIEISA-N 2 1 229.324 -0.580 20 0 BBADMP C[C@H](CNC(=O)CC[NH3+])C[NH+]1CCOCC1 ZINC000082256162 388019829 /nfs/dbraw/zinc/01/98/29/388019829.db2.gz BYTZUSOZPXJGGR-SNVBAGLBSA-N 2 1 229.324 -0.580 20 0 BBADMP CCN1CC[NH+](CCCNC(=O)CC[NH3+])CC1 ZINC000082256198 385549275 /nfs/dbraw/zinc/54/92/75/385549275.db2.gz LICOVMWUHMOQND-UHFFFAOYSA-N 2 1 242.367 -0.521 20 0 BBADMP C[NH2+]CC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000082256347 388019456 /nfs/dbraw/zinc/01/94/56/388019456.db2.gz LFAWYYWVXCZRLI-JTQLQIEISA-N 2 1 229.324 -0.710 20 0 BBADMP C[NH2+]CC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000082256348 388019088 /nfs/dbraw/zinc/01/90/88/388019088.db2.gz LFAWYYWVXCZRLI-SNVBAGLBSA-N 2 1 229.324 -0.710 20 0 BBADMP CCN1CC[NH+](CCCNC(=O)C[NH2+]C)CC1 ZINC000082256388 385549959 /nfs/dbraw/zinc/54/99/59/385549959.db2.gz FYGZNGGGAILSSO-UHFFFAOYSA-N 2 1 242.367 -0.650 20 0 BBADMP C[C@@H](CNC(=O)CCC[NH3+])C[NH+]1CCOCC1 ZINC000082257067 347319305 /nfs/dbraw/zinc/31/93/05/347319305.db2.gz DSRAISMHAAIEOT-NSHDSACASA-N 2 1 243.351 -0.190 20 0 BBADMP C[C@H](CNC(=O)CCC[NH3+])C[NH+]1CCOCC1 ZINC000082257068 347319096 /nfs/dbraw/zinc/31/90/96/347319096.db2.gz DSRAISMHAAIEOT-LLVKDONJSA-N 2 1 243.351 -0.190 20 0 BBADMP C[C@@H](CNC(=O)C(C)(C)[NH3+])C[NH+]1CCOCC1 ZINC000082257215 388019222 /nfs/dbraw/zinc/01/92/22/388019222.db2.gz QKZXTFYMIYVORJ-JTQLQIEISA-N 2 1 243.351 -0.192 20 0 BBADMP C[C@H](CNC(=O)C(C)(C)[NH3+])C[NH+]1CCOCC1 ZINC000082257216 388019660 /nfs/dbraw/zinc/01/96/60/388019660.db2.gz QKZXTFYMIYVORJ-SNVBAGLBSA-N 2 1 243.351 -0.192 20 0 BBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000082303467 384222666 /nfs/dbraw/zinc/22/26/66/384222666.db2.gz HHXKTSHMUGGPPR-SNVBAGLBSA-N 2 1 211.309 -0.288 20 0 BBADMP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000082303467 384222663 /nfs/dbraw/zinc/22/26/63/384222663.db2.gz HHXKTSHMUGGPPR-SNVBAGLBSA-N 2 1 211.309 -0.288 20 0 BBADMP C[N@H+]1CC[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000082303468 384223715 /nfs/dbraw/zinc/22/37/15/384223715.db2.gz HHXKTSHMUGGPPR-JTQLQIEISA-N 2 1 211.309 -0.288 20 0 BBADMP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000082303468 384223709 /nfs/dbraw/zinc/22/37/09/384223709.db2.gz HHXKTSHMUGGPPR-JTQLQIEISA-N 2 1 211.309 -0.288 20 0 BBADMP CNC(=[NH2+])NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000082393530 343440661 /nfs/dbraw/zinc/44/06/61/343440661.db2.gz NDULMFGQAYCHDX-RKDXNWHRSA-N 2 1 212.297 -0.407 20 0 BBADMP CNC(=[NH2+])NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000082393531 173210366 /nfs/dbraw/zinc/21/03/66/173210366.db2.gz NDULMFGQAYCHDX-BDAKNGLRSA-N 2 1 212.297 -0.407 20 0 BBADMP CCNC(=[NH2+])NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000082431902 643312823 /nfs/dbraw/zinc/31/28/23/643312823.db2.gz DRMLCNNUIAQYMZ-NXEZZACHSA-N 2 1 226.324 -0.017 20 0 BBADMP CCNC(=[NH2+])NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000082431904 643313617 /nfs/dbraw/zinc/31/36/17/643313617.db2.gz DRMLCNNUIAQYMZ-ZJUUUORDSA-N 2 1 226.324 -0.017 20 0 BBADMP C[C@@H]1C(=O)NCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000082475498 384230742 /nfs/dbraw/zinc/23/07/42/384230742.db2.gz KKRQPLKNANXNCP-SECBINFHSA-N 2 1 211.309 -0.194 20 0 BBADMP C[C@H]1C(=O)NCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000082475499 384231102 /nfs/dbraw/zinc/23/11/02/384231102.db2.gz KKRQPLKNANXNCP-VIFPVBQESA-N 2 1 211.309 -0.194 20 0 BBADMP NC(=O)NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000082594372 344158345 /nfs/dbraw/zinc/15/83/45/344158345.db2.gz LAXDWIRQJMAVEF-QMMMGPOBSA-N 2 1 228.296 -0.615 20 0 BBADMP NC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000082594372 344158344 /nfs/dbraw/zinc/15/83/44/344158344.db2.gz LAXDWIRQJMAVEF-QMMMGPOBSA-N 2 1 228.296 -0.615 20 0 BBADMP NC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000082594374 345463402 /nfs/dbraw/zinc/46/34/02/345463402.db2.gz LAXDWIRQJMAVEF-MRVPVSSYSA-N 2 1 228.296 -0.615 20 0 BBADMP NC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000082594374 345463398 /nfs/dbraw/zinc/46/33/98/345463398.db2.gz LAXDWIRQJMAVEF-MRVPVSSYSA-N 2 1 228.296 -0.615 20 0 BBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[NH2+]CC2)C1 ZINC000082641780 487703958 /nfs/dbraw/zinc/70/39/58/487703958.db2.gz VDEVDFCQGGYIMO-JTQLQIEISA-N 2 1 211.309 -0.240 20 0 BBADMP CC[NH+]1CCN(C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000082642688 343053651 /nfs/dbraw/zinc/05/36/51/343053651.db2.gz RYBKAXGXQHOWMI-VIFPVBQESA-N 2 1 214.313 -0.319 20 0 BBADMP CC[NH+]1CCN(C(=O)N[C@H](C)C[NH3+])CC1 ZINC000082642689 348226506 /nfs/dbraw/zinc/22/65/06/348226506.db2.gz RYBKAXGXQHOWMI-SECBINFHSA-N 2 1 214.313 -0.319 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000082652648 170005055 /nfs/dbraw/zinc/00/50/55/170005055.db2.gz YEYCIGGSBVYBOV-JTQLQIEISA-N 2 1 227.308 -0.861 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000082652648 170005054 /nfs/dbraw/zinc/00/50/54/170005054.db2.gz YEYCIGGSBVYBOV-JTQLQIEISA-N 2 1 227.308 -0.861 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000082652649 170003125 /nfs/dbraw/zinc/00/31/25/170003125.db2.gz YEYCIGGSBVYBOV-SNVBAGLBSA-N 2 1 227.308 -0.861 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000082652649 170003123 /nfs/dbraw/zinc/00/31/23/170003123.db2.gz YEYCIGGSBVYBOV-SNVBAGLBSA-N 2 1 227.308 -0.861 20 0 BBADMP [NH3+]C1CCN(CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000082654590 181343172 /nfs/dbraw/zinc/34/31/72/181343172.db2.gz LGSFUBKQMWMKMU-UHFFFAOYSA-N 2 1 240.351 -0.769 20 0 BBADMP O=C([C@H]1CCC[N@H+](CCO)C1)N1CC[NH2+]CC1 ZINC000082654708 643363239 /nfs/dbraw/zinc/36/32/39/643363239.db2.gz OKRZVIDJVJXNQI-NSHDSACASA-N 2 1 241.335 -0.878 20 0 BBADMP O=C([C@@H]1CCC[N@H+](CCO)C1)N1CC[NH2+]CC1 ZINC000082654709 643363688 /nfs/dbraw/zinc/36/36/88/643363688.db2.gz OKRZVIDJVJXNQI-LLVKDONJSA-N 2 1 241.335 -0.878 20 0 BBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000082654715 187282784 /nfs/dbraw/zinc/28/27/84/187282784.db2.gz USLSWMZNXUDYIB-NSHDSACASA-N 2 1 241.335 -0.473 20 0 BBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000082654715 187282782 /nfs/dbraw/zinc/28/27/82/187282782.db2.gz USLSWMZNXUDYIB-NSHDSACASA-N 2 1 241.335 -0.473 20 0 BBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000082654716 384774806 /nfs/dbraw/zinc/77/48/06/384774806.db2.gz USLSWMZNXUDYIB-LLVKDONJSA-N 2 1 241.335 -0.473 20 0 BBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000082654716 384774800 /nfs/dbraw/zinc/77/48/00/384774800.db2.gz USLSWMZNXUDYIB-LLVKDONJSA-N 2 1 241.335 -0.473 20 0 BBADMP O=C(CC[N@@H+]1CCC[C@H](O)C1)N1CC[NH2+]CC1 ZINC000082657435 487708418 /nfs/dbraw/zinc/70/84/18/487708418.db2.gz JRWATWVYQZUJAB-NSHDSACASA-N 2 1 241.335 -0.735 20 0 BBADMP O=C(CC[N@@H+]1CCC[C@@H](O)C1)N1CC[NH2+]CC1 ZINC000082657436 487707725 /nfs/dbraw/zinc/70/77/25/487707725.db2.gz JRWATWVYQZUJAB-LLVKDONJSA-N 2 1 241.335 -0.735 20 0 BBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=[NH2+])NC1CC1 ZINC000082670268 173075423 /nfs/dbraw/zinc/07/54/23/173075423.db2.gz IRDJYLAHAIDSFB-SNVBAGLBSA-N 2 1 225.340 -0.491 20 0 BBADMP CC(C)NC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCN1C ZINC000082670271 631411029 /nfs/dbraw/zinc/41/10/29/631411029.db2.gz HZZAXQQZWQIAHU-SNVBAGLBSA-N 2 1 227.356 -0.245 20 0 BBADMP CC(C)NC(=[NH2+])NC[C@H]1C[N@@H+](C)CCN1C ZINC000082670273 631408994 /nfs/dbraw/zinc/40/89/94/631408994.db2.gz HZZAXQQZWQIAHU-JTQLQIEISA-N 2 1 227.356 -0.245 20 0 BBADMP CCNC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCN1C ZINC000082670280 631409930 /nfs/dbraw/zinc/40/99/30/631409930.db2.gz GSQMQWDNYSVVNE-SECBINFHSA-N 2 1 213.329 -0.634 20 0 BBADMP CCNC(=[NH2+])NC[C@H]1C[N@@H+](C)CCN1C ZINC000082670284 643520364 /nfs/dbraw/zinc/52/03/64/643520364.db2.gz GSQMQWDNYSVVNE-VIFPVBQESA-N 2 1 213.329 -0.634 20 0 BBADMP CCCNC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCN1C ZINC000082670288 643364858 /nfs/dbraw/zinc/36/48/58/643364858.db2.gz NRNMEEPMPFXVPF-SNVBAGLBSA-N 2 1 227.356 -0.244 20 0 BBADMP CCCNC(=[NH2+])NC[C@H]1C[N@@H+](C)CCN1C ZINC000082670291 643364950 /nfs/dbraw/zinc/36/49/50/643364950.db2.gz NRNMEEPMPFXVPF-JTQLQIEISA-N 2 1 227.356 -0.244 20 0 BBADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCOCC1 ZINC000082687083 388040227 /nfs/dbraw/zinc/04/02/27/388040227.db2.gz GDGYTENWFKELEL-TXEJJXNPSA-N 2 1 225.336 -0.530 20 0 BBADMP CN1CC[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000082717340 368708248 /nfs/dbraw/zinc/70/82/48/368708248.db2.gz BCPQMKKRWKFTGW-AEJSXWLSSA-N 2 1 209.293 -0.632 20 0 BBADMP CN1CC[C@@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000082717343 368707963 /nfs/dbraw/zinc/70/79/63/368707963.db2.gz BCPQMKKRWKFTGW-KXUCPTDWSA-N 2 1 209.293 -0.632 20 0 BBADMP CC(C)([NH3+])CC(=O)N1CC[NH+](CCO)CC1 ZINC000082771797 487727245 /nfs/dbraw/zinc/72/72/45/487727245.db2.gz VPVNQGBXZJVGCG-UHFFFAOYSA-N 2 1 229.324 -0.750 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)CC(C)(C)[NH3+] ZINC000082772557 487729978 /nfs/dbraw/zinc/72/99/78/487729978.db2.gz LQNYQKKQHXPMOU-UHFFFAOYSA-N 2 1 231.340 -0.192 20 0 BBADMP CN1CC[N@@H+](CC2CC[NH2+]CC2)CC1=O ZINC000082774869 136277188 /nfs/dbraw/zinc/27/71/88/136277188.db2.gz BVBIBAJSHWJWQC-UHFFFAOYSA-N 2 1 211.309 -0.240 20 0 BBADMP OCCOCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000082829026 345771672 /nfs/dbraw/zinc/77/16/72/345771672.db2.gz ODNOYRCZXFGQMH-AOOOYVTPSA-N 2 1 200.282 -0.854 20 0 BBADMP C[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000082919991 487752727 /nfs/dbraw/zinc/75/27/27/487752727.db2.gz DYWJGEYKBWLBNZ-ZJUUUORDSA-N 2 1 211.309 -0.112 20 0 BBADMP [NH3+]CC[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000083069207 643407355 /nfs/dbraw/zinc/40/73/55/643407355.db2.gz VLVWISNHLVGBJH-GFCCVEGCSA-N 2 1 227.352 -0.011 20 0 BBADMP [NH3+]CC[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000083069208 643407203 /nfs/dbraw/zinc/40/72/03/643407203.db2.gz VLVWISNHLVGBJH-LBPRGKRZSA-N 2 1 227.352 -0.011 20 0 BBADMP [NH3+]C1(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000083355516 181326027 /nfs/dbraw/zinc/32/60/27/181326027.db2.gz OOBWADNGYXCIMO-UHFFFAOYSA-N 2 1 227.308 -0.684 20 0 BBADMP CC(C)[C@@H]1CNCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000083368710 384774577 /nfs/dbraw/zinc/77/45/77/384774577.db2.gz ZEHDEAHDFWJUED-ZDUSSCGKSA-N 2 1 240.395 -0.179 20 0 BBADMP CC(C)[C@@H]1CNCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000083368710 384774573 /nfs/dbraw/zinc/77/45/73/384774573.db2.gz ZEHDEAHDFWJUED-ZDUSSCGKSA-N 2 1 240.395 -0.179 20 0 BBADMP CC(C)[C@H]1CNCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000083368711 384772423 /nfs/dbraw/zinc/77/24/23/384772423.db2.gz ZEHDEAHDFWJUED-CYBMUJFWSA-N 2 1 240.395 -0.179 20 0 BBADMP CC(C)[C@H]1CNCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000083368711 384772420 /nfs/dbraw/zinc/77/24/20/384772420.db2.gz ZEHDEAHDFWJUED-CYBMUJFWSA-N 2 1 240.395 -0.179 20 0 BBADMP C[NH+](C)C[C@H](O)C[NH2+]CC1(O)CCCC1 ZINC000083466241 351386501 /nfs/dbraw/zinc/38/65/01/351386501.db2.gz PHECMJQOCNYCCM-SNVBAGLBSA-N 2 1 216.325 -0.196 20 0 BBADMP C[NH+](C)C[C@@H](O)C[NH2+]CC1(O)CCCC1 ZINC000083466242 351386107 /nfs/dbraw/zinc/38/61/07/351386107.db2.gz PHECMJQOCNYCCM-JTQLQIEISA-N 2 1 216.325 -0.196 20 0 BBADMP CC[N@H+]1CC[C@H](CNC(=O)C2([NH3+])CC2)C1 ZINC000083834680 384336659 /nfs/dbraw/zinc/33/66/59/384336659.db2.gz MIGFHIZLZGBHNR-SECBINFHSA-N 2 1 211.309 -0.064 20 0 BBADMP CC[N@H+]1CC[C@@H](CNC(=O)C2([NH3+])CC2)C1 ZINC000083834682 384336043 /nfs/dbraw/zinc/33/60/43/384336043.db2.gz MIGFHIZLZGBHNR-VIFPVBQESA-N 2 1 211.309 -0.064 20 0 BBADMP [NH3+]C1(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000083834869 384336488 /nfs/dbraw/zinc/33/64/88/384336488.db2.gz BYKAGQYKFIKNGG-SECBINFHSA-N 2 1 209.293 -0.216 20 0 BBADMP [NH3+]C1(C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000083834874 384336763 /nfs/dbraw/zinc/33/67/63/384336763.db2.gz BYKAGQYKFIKNGG-VIFPVBQESA-N 2 1 209.293 -0.216 20 0 BBADMP C[N@H+]1CCC[C@H](CNC(=O)C2([NH3+])CC2)C1 ZINC000083835633 384773846 /nfs/dbraw/zinc/77/38/46/384773846.db2.gz GAAGENJTWCBVSD-SECBINFHSA-N 2 1 211.309 -0.064 20 0 BBADMP C[N@H+]1CCC[C@@H](CNC(=O)C2([NH3+])CC2)C1 ZINC000083835636 384773733 /nfs/dbraw/zinc/77/37/33/384773733.db2.gz GAAGENJTWCBVSD-VIFPVBQESA-N 2 1 211.309 -0.064 20 0 BBADMP [NH3+]C1(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000083835661 384335213 /nfs/dbraw/zinc/33/52/13/384335213.db2.gz IEIFWBSAICPYPQ-QMMMGPOBSA-N 2 1 209.293 -0.169 20 0 BBADMP [NH3+]C1(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000083835662 384334858 /nfs/dbraw/zinc/33/48/58/384334858.db2.gz IEIFWBSAICPYPQ-MRVPVSSYSA-N 2 1 209.293 -0.169 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)C1([NH3+])CC1 ZINC000083835940 384334363 /nfs/dbraw/zinc/33/43/63/384334363.db2.gz GLHLTVKQUIIROK-UHFFFAOYSA-N 2 1 215.297 -0.828 20 0 BBADMP CC[NH+](CC)CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000083871971 169779263 /nfs/dbraw/zinc/77/92/63/169779263.db2.gz ODJGMULNHSGZED-JTQLQIEISA-N 2 1 229.324 -0.567 20 0 BBADMP CC[NH+](CC)CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000083871973 169779238 /nfs/dbraw/zinc/77/92/38/169779238.db2.gz ODJGMULNHSGZED-SNVBAGLBSA-N 2 1 229.324 -0.567 20 0 BBADMP C[NH+](C)CCCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000083872096 384338792 /nfs/dbraw/zinc/33/87/92/384338792.db2.gz VORXRAQCYQCLJL-VIFPVBQESA-N 2 1 215.297 -0.957 20 0 BBADMP C[NH+](C)CCCNC(=O)[C@H]1COCC[NH2+]1 ZINC000083872098 343504942 /nfs/dbraw/zinc/50/49/42/343504942.db2.gz VORXRAQCYQCLJL-SECBINFHSA-N 2 1 215.297 -0.957 20 0 BBADMP CC[NH+]1CCN(C(=O)[C@@H]2COCCN2)CC1 ZINC000083872136 384808348 /nfs/dbraw/zinc/80/83/48/384808348.db2.gz XBOFCHBTRGGKHA-JTQLQIEISA-N 2 1 227.308 -0.861 20 0 BBADMP C[N@H+]1CCCN(C(=O)[C@@H]2COCCN2)CC1 ZINC000083872206 384809382 /nfs/dbraw/zinc/80/93/82/384809382.db2.gz HUSDGGPJRSXVNW-JTQLQIEISA-N 2 1 227.308 -0.861 20 0 BBADMP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000083873103 398187124 /nfs/dbraw/zinc/18/71/24/398187124.db2.gz UOAJQLXFAXCISB-VIFPVBQESA-N 2 1 229.324 -0.569 20 0 BBADMP C[NH+](C)C(C)(C)CNC(=O)[C@H]1COCC[NH2+]1 ZINC000083873105 536109945 /nfs/dbraw/zinc/10/99/45/536109945.db2.gz UOAJQLXFAXCISB-SECBINFHSA-N 2 1 229.324 -0.569 20 0 BBADMP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000083873266 136286270 /nfs/dbraw/zinc/28/62/70/136286270.db2.gz GGIUBFRYOOMMBN-UWVGGRQHSA-N 2 1 229.324 -0.569 20 0 BBADMP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000083873268 136286349 /nfs/dbraw/zinc/28/63/49/136286349.db2.gz GGIUBFRYOOMMBN-ZJUUUORDSA-N 2 1 229.324 -0.569 20 0 BBADMP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1COCC[NH2+]1 ZINC000083873270 136286334 /nfs/dbraw/zinc/28/63/34/136286334.db2.gz GGIUBFRYOOMMBN-VHSXEESVSA-N 2 1 229.324 -0.569 20 0 BBADMP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1COCC[NH2+]1 ZINC000083873272 136286413 /nfs/dbraw/zinc/28/64/13/136286413.db2.gz GGIUBFRYOOMMBN-NXEZZACHSA-N 2 1 229.324 -0.569 20 0 BBADMP C[NH+](C)CCCCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000083873396 398187215 /nfs/dbraw/zinc/18/72/15/398187215.db2.gz QFXXWMOWZVAREF-JTQLQIEISA-N 2 1 229.324 -0.567 20 0 BBADMP C[NH+](C)CCCCNC(=O)[C@H]1COCC[NH2+]1 ZINC000083873398 398186962 /nfs/dbraw/zinc/18/69/62/398186962.db2.gz QFXXWMOWZVAREF-SNVBAGLBSA-N 2 1 229.324 -0.567 20 0 BBADMP CC[N@@H+](C)CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000083873509 384339404 /nfs/dbraw/zinc/33/94/04/384339404.db2.gz IOPYDKYLZVUHBE-VIFPVBQESA-N 2 1 215.297 -0.957 20 0 BBADMP CC[N@H+](C)CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000083873509 384339402 /nfs/dbraw/zinc/33/94/02/384339402.db2.gz IOPYDKYLZVUHBE-VIFPVBQESA-N 2 1 215.297 -0.957 20 0 BBADMP CC[N@@H+](C)CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000083873512 136286679 /nfs/dbraw/zinc/28/66/79/136286679.db2.gz IOPYDKYLZVUHBE-SECBINFHSA-N 2 1 215.297 -0.957 20 0 BBADMP CC[N@H+](C)CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000083873512 136286678 /nfs/dbraw/zinc/28/66/78/136286678.db2.gz IOPYDKYLZVUHBE-SECBINFHSA-N 2 1 215.297 -0.957 20 0 BBADMP C[N@@H+](CCNC(=O)[C@@H]1COCC[NH2+]1)C1CC1 ZINC000083873619 398186901 /nfs/dbraw/zinc/18/69/01/398186901.db2.gz GICUNDAIBOKXIN-JTQLQIEISA-N 2 1 227.308 -0.815 20 0 BBADMP C[N@H+](CCNC(=O)[C@@H]1COCC[NH2+]1)C1CC1 ZINC000083873619 398186899 /nfs/dbraw/zinc/18/68/99/398186899.db2.gz GICUNDAIBOKXIN-JTQLQIEISA-N 2 1 227.308 -0.815 20 0 BBADMP C[N@@H+](CCNC(=O)[C@H]1COCC[NH2+]1)C1CC1 ZINC000083873621 398187342 /nfs/dbraw/zinc/18/73/42/398187342.db2.gz GICUNDAIBOKXIN-SNVBAGLBSA-N 2 1 227.308 -0.815 20 0 BBADMP C[N@H+](CCNC(=O)[C@H]1COCC[NH2+]1)C1CC1 ZINC000083873621 398187336 /nfs/dbraw/zinc/18/73/36/398187336.db2.gz GICUNDAIBOKXIN-SNVBAGLBSA-N 2 1 227.308 -0.815 20 0 BBADMP CC(C)([NH3+])CC(=O)NCCC[NH+]1CCOCC1 ZINC000084163801 488031012 /nfs/dbraw/zinc/03/10/12/488031012.db2.gz CISVBVZFUGJOCW-UHFFFAOYSA-N 2 1 243.351 -0.048 20 0 BBADMP CN1CCN(C)[C@H](CNC(=O)CC(C)(C)[NH3+])C1 ZINC000084187349 488035670 /nfs/dbraw/zinc/03/56/70/488035670.db2.gz LEOFBIKCWNMAFD-SNVBAGLBSA-N 2 1 242.367 -0.524 20 0 BBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)CC(C)(C)[NH3+] ZINC000084187349 488035668 /nfs/dbraw/zinc/03/56/68/488035668.db2.gz LEOFBIKCWNMAFD-SNVBAGLBSA-N 2 1 242.367 -0.524 20 0 BBADMP CN1CCN(C)[C@@H](CNC(=O)CC(C)(C)[NH3+])C1 ZINC000084187351 488035638 /nfs/dbraw/zinc/03/56/38/488035638.db2.gz LEOFBIKCWNMAFD-JTQLQIEISA-N 2 1 242.367 -0.524 20 0 BBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CC(C)(C)[NH3+] ZINC000084187351 488035634 /nfs/dbraw/zinc/03/56/34/488035634.db2.gz LEOFBIKCWNMAFD-JTQLQIEISA-N 2 1 242.367 -0.524 20 0 BBADMP C[NH+]1CCN(C(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000084381353 135215375 /nfs/dbraw/zinc/21/53/75/135215375.db2.gz OGIKMPRZXIZLNG-JTQLQIEISA-N 2 1 211.309 -0.240 20 0 BBADMP C[NH+]1CCN(C(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000084381354 135215502 /nfs/dbraw/zinc/21/55/02/135215502.db2.gz OGIKMPRZXIZLNG-SNVBAGLBSA-N 2 1 211.309 -0.240 20 0 BBADMP O=C(C1C[NH2+]C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000084410050 384394807 /nfs/dbraw/zinc/39/48/07/384394807.db2.gz SYPXJFHGAOFZLN-SNVBAGLBSA-N 2 1 209.293 -0.488 20 0 BBADMP O=C(C1C[NH2+]C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000084410053 384395977 /nfs/dbraw/zinc/39/59/77/384395977.db2.gz SYPXJFHGAOFZLN-JTQLQIEISA-N 2 1 209.293 -0.488 20 0 BBADMP O=C(C1C[NH2+]C1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000084410057 388077621 /nfs/dbraw/zinc/07/76/21/388077621.db2.gz FYOKTAMFQHYLHD-NSHDSACASA-N 2 1 223.320 -0.098 20 0 BBADMP O=C(C1C[NH2+]C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000084410060 388077591 /nfs/dbraw/zinc/07/75/91/388077591.db2.gz FYOKTAMFQHYLHD-LLVKDONJSA-N 2 1 223.320 -0.098 20 0 BBADMP O=C(C1C[NH2+]C1)N1CC[NH+](C2CC2)CC1 ZINC000084410332 135247168 /nfs/dbraw/zinc/24/71/68/135247168.db2.gz LZOQHDJBDWONRG-UHFFFAOYSA-N 2 1 209.293 -0.488 20 0 BBADMP O=C(C1C[NH2+]C1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000084412021 388077533 /nfs/dbraw/zinc/07/75/33/388077533.db2.gz NGVOJSMHLDNWHJ-LLVKDONJSA-N 2 1 223.320 -0.098 20 0 BBADMP O=C(C1C[NH2+]C1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000084412024 135249125 /nfs/dbraw/zinc/24/91/25/135249125.db2.gz NGVOJSMHLDNWHJ-NSHDSACASA-N 2 1 223.320 -0.098 20 0 BBADMP COCCOCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085283132 398050125 /nfs/dbraw/zinc/05/01/25/398050125.db2.gz FJIHCJORJLPIKP-PHIMTYICSA-N 2 1 214.309 -0.199 20 0 BBADMP CNC(=O)CCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085283431 488155954 /nfs/dbraw/zinc/15/59/54/488155954.db2.gz OHMCTPLJNQREIL-AOOOYVTPSA-N 2 1 211.309 -0.336 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085374467 488164788 /nfs/dbraw/zinc/16/47/88/488164788.db2.gz QIQCIAJOXWWCLS-MNOVXSKESA-N 2 1 243.351 -0.192 20 0 BBADMP C(C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N1CC[NH2+]CC1 ZINC000085540469 344206647 /nfs/dbraw/zinc/20/66/47/344206647.db2.gz FTYNDHMCEIOKIZ-TXEJJXNPSA-N 2 1 225.336 -0.245 20 0 BBADMP C(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)N1CC[NH2+]CC1 ZINC000085540469 344206645 /nfs/dbraw/zinc/20/66/45/344206645.db2.gz FTYNDHMCEIOKIZ-TXEJJXNPSA-N 2 1 225.336 -0.245 20 0 BBADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C(C)(C)C)C1 ZINC000085540852 387069993 /nfs/dbraw/zinc/06/99/93/387069993.db2.gz JHVARKCIDCTUDB-JTQLQIEISA-N 2 1 243.351 -0.179 20 0 BBADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C(C)(C)C)C1 ZINC000085540852 387069990 /nfs/dbraw/zinc/06/99/90/387069990.db2.gz JHVARKCIDCTUDB-JTQLQIEISA-N 2 1 243.351 -0.179 20 0 BBADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C(C)(C)C)C1 ZINC000085540855 387069234 /nfs/dbraw/zinc/06/92/34/387069234.db2.gz JHVARKCIDCTUDB-SNVBAGLBSA-N 2 1 243.351 -0.179 20 0 BBADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C(C)(C)C)C1 ZINC000085540855 387069228 /nfs/dbraw/zinc/06/92/28/387069228.db2.gz JHVARKCIDCTUDB-SNVBAGLBSA-N 2 1 243.351 -0.179 20 0 BBADMP C[NH+](C)CCNC(=O)c1csc(C[NH3+])n1 ZINC000085544533 487874425 /nfs/dbraw/zinc/87/44/25/487874425.db2.gz MEPDRCAYBTWDHO-UHFFFAOYSA-N 2 1 228.321 -0.107 20 0 BBADMP [NH3+]CCCNC(=O)c1csc(C[NH3+])n1 ZINC000085545208 368865641 /nfs/dbraw/zinc/86/56/41/368865641.db2.gz BYFDRKSAWBPOSP-UHFFFAOYSA-N 2 1 214.294 -0.320 20 0 BBADMP C[C@H]([NH3+])c1nc(C(=O)NCC[NH3+])cs1 ZINC000085548787 644442783 /nfs/dbraw/zinc/44/27/83/644442783.db2.gz RJHVAGUEJWRLGZ-YFKPBYRVSA-N 2 1 214.294 -0.149 20 0 BBADMP C[C@@H]([NH3+])c1nc(C(=O)NCC[NH3+])cs1 ZINC000085548791 644444327 /nfs/dbraw/zinc/44/43/27/644444327.db2.gz RJHVAGUEJWRLGZ-RXMQYKEDSA-N 2 1 214.294 -0.149 20 0 BBADMP C[NH+]1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000085612398 387147180 /nfs/dbraw/zinc/14/71/80/387147180.db2.gz CXVRNXNRVKHPGD-SNVBAGLBSA-N 2 1 243.376 -0.145 20 0 BBADMP C[NH+]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000085612402 387148917 /nfs/dbraw/zinc/14/89/17/387148917.db2.gz CXVRNXNRVKHPGD-JTQLQIEISA-N 2 1 243.376 -0.145 20 0 BBADMP [NH3+]CCC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085790008 631463537 /nfs/dbraw/zinc/46/35/37/631463537.db2.gz ISCWXXXCBMZAGI-NXEZZACHSA-N 2 1 227.308 -0.685 20 0 BBADMP [NH3+]CCC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000085790010 643803771 /nfs/dbraw/zinc/80/37/71/643803771.db2.gz ISCWXXXCBMZAGI-VHSXEESVSA-N 2 1 227.308 -0.685 20 0 BBADMP [NH3+]CCC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085790012 631463274 /nfs/dbraw/zinc/46/32/74/631463274.db2.gz ISCWXXXCBMZAGI-ZJUUUORDSA-N 2 1 227.308 -0.685 20 0 BBADMP [NH3+]CCC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000085790014 643804118 /nfs/dbraw/zinc/80/41/18/643804118.db2.gz ISCWXXXCBMZAGI-UWVGGRQHSA-N 2 1 227.308 -0.685 20 0 BBADMP C[NH2+]CC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085790415 644451559 /nfs/dbraw/zinc/45/15/59/644451559.db2.gz WYAGOKWPXYUHRU-NXEZZACHSA-N 2 1 227.308 -0.815 20 0 BBADMP C[NH2+]CC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085790417 644451709 /nfs/dbraw/zinc/45/17/09/644451709.db2.gz WYAGOKWPXYUHRU-ZJUUUORDSA-N 2 1 227.308 -0.815 20 0 BBADMP C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085790445 644452381 /nfs/dbraw/zinc/45/23/81/644452381.db2.gz KLRFKRLZMAQFSW-OPRDCNLKSA-N 2 1 227.308 -0.687 20 0 BBADMP C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085790446 644452022 /nfs/dbraw/zinc/45/20/22/644452022.db2.gz KLRFKRLZMAQFSW-BBBLOLIVSA-N 2 1 227.308 -0.687 20 0 BBADMP NC(=O)CC[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085790458 644451829 /nfs/dbraw/zinc/45/18/29/644451829.db2.gz CLNVZGIIUUPQKP-NXEZZACHSA-N 2 1 227.308 -0.685 20 0 BBADMP NC(=O)CC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085790458 644451825 /nfs/dbraw/zinc/45/18/25/644451825.db2.gz CLNVZGIIUUPQKP-NXEZZACHSA-N 2 1 227.308 -0.685 20 0 BBADMP NC(=O)CC[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000085790460 644451747 /nfs/dbraw/zinc/45/17/47/644451747.db2.gz CLNVZGIIUUPQKP-VHSXEESVSA-N 2 1 227.308 -0.685 20 0 BBADMP NC(=O)CC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000085790460 644451742 /nfs/dbraw/zinc/45/17/42/644451742.db2.gz CLNVZGIIUUPQKP-VHSXEESVSA-N 2 1 227.308 -0.685 20 0 BBADMP NC(=O)CC[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085790464 644452475 /nfs/dbraw/zinc/45/24/75/644452475.db2.gz CLNVZGIIUUPQKP-ZJUUUORDSA-N 2 1 227.308 -0.685 20 0 BBADMP NC(=O)CC[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085790464 644452472 /nfs/dbraw/zinc/45/24/72/644452472.db2.gz CLNVZGIIUUPQKP-ZJUUUORDSA-N 2 1 227.308 -0.685 20 0 BBADMP NC(=O)CC[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000085790467 644452193 /nfs/dbraw/zinc/45/21/93/644452193.db2.gz CLNVZGIIUUPQKP-UWVGGRQHSA-N 2 1 227.308 -0.685 20 0 BBADMP NC(=O)CC[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000085790467 644452188 /nfs/dbraw/zinc/45/21/88/644452188.db2.gz CLNVZGIIUUPQKP-UWVGGRQHSA-N 2 1 227.308 -0.685 20 0 BBADMP C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085790497 631463344 /nfs/dbraw/zinc/46/33/44/631463344.db2.gz KLRFKRLZMAQFSW-IVZWLZJFSA-N 2 1 227.308 -0.687 20 0 BBADMP C[C@H](O)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085790560 643624010 /nfs/dbraw/zinc/62/40/10/643624010.db2.gz BEDARNKDPNEIDI-HBNTYKKESA-N 2 1 214.309 -0.180 20 0 BBADMP C[C@H](O)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085790560 643624009 /nfs/dbraw/zinc/62/40/09/643624009.db2.gz BEDARNKDPNEIDI-HBNTYKKESA-N 2 1 214.309 -0.180 20 0 BBADMP C[C@@H](O)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085790562 643625015 /nfs/dbraw/zinc/62/50/15/643625015.db2.gz BEDARNKDPNEIDI-GMTAPVOTSA-N 2 1 214.309 -0.180 20 0 BBADMP C[C@@H](O)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085790562 643625010 /nfs/dbraw/zinc/62/50/10/643625010.db2.gz BEDARNKDPNEIDI-GMTAPVOTSA-N 2 1 214.309 -0.180 20 0 BBADMP C[C@H](O)C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085790564 643623868 /nfs/dbraw/zinc/62/38/68/643623868.db2.gz BEDARNKDPNEIDI-AXFHLTTASA-N 2 1 214.309 -0.180 20 0 BBADMP C[C@H](O)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085790564 643623864 /nfs/dbraw/zinc/62/38/64/643623864.db2.gz BEDARNKDPNEIDI-AXFHLTTASA-N 2 1 214.309 -0.180 20 0 BBADMP C[N@@H+](CC(=O)NC(N)=O)C1CCC([NH3+])CC1 ZINC000085870010 643824144 /nfs/dbraw/zinc/82/41/44/643824144.db2.gz WWKDGEBARFSNGH-UHFFFAOYSA-N 2 1 228.296 -0.617 20 0 BBADMP C[NH2+]CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000085975822 384582422 /nfs/dbraw/zinc/58/24/22/384582422.db2.gz SFPYNXVHFWEKBE-ZJUUUORDSA-N 2 1 211.309 -0.099 20 0 BBADMP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000086066558 384593056 /nfs/dbraw/zinc/59/30/56/384593056.db2.gz HUKJKWIXGVHXBU-UWVGGRQHSA-N 2 1 213.325 -0.090 20 0 BBADMP C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000086066561 384593638 /nfs/dbraw/zinc/59/36/38/384593638.db2.gz HUKJKWIXGVHXBU-ZJUUUORDSA-N 2 1 213.325 -0.090 20 0 BBADMP C[NH2+]C[C@H](C)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000086066564 384594992 /nfs/dbraw/zinc/59/49/92/384594992.db2.gz HUKJKWIXGVHXBU-VHSXEESVSA-N 2 1 213.325 -0.090 20 0 BBADMP C[NH2+]C[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000086066567 384595662 /nfs/dbraw/zinc/59/56/62/384595662.db2.gz HUKJKWIXGVHXBU-NXEZZACHSA-N 2 1 213.325 -0.090 20 0 BBADMP CC[N@@H+](C)CCNC(=O)[C@@H](C)C[NH2+]C ZINC000086068751 343609403 /nfs/dbraw/zinc/60/94/03/343609403.db2.gz UHQCQMVBWVGGKD-VIFPVBQESA-N 2 1 201.314 -0.090 20 0 BBADMP CC[N@@H+](C)CCNC(=O)[C@H](C)C[NH2+]C ZINC000086068753 343609476 /nfs/dbraw/zinc/60/94/76/343609476.db2.gz UHQCQMVBWVGGKD-SECBINFHSA-N 2 1 201.314 -0.090 20 0 BBADMP C[NH2+]C[C@H](C)C(=O)NCC[N@@H+](C)CCOC ZINC000086068842 357815659 /nfs/dbraw/zinc/81/56/59/357815659.db2.gz PXUVVBOZVYMRTF-JTQLQIEISA-N 2 1 231.340 -0.464 20 0 BBADMP C[NH2+]C[C@@H](C)C(=O)NCC[N@@H+](C)CCOC ZINC000086068844 357815510 /nfs/dbraw/zinc/81/55/10/357815510.db2.gz PXUVVBOZVYMRTF-SNVBAGLBSA-N 2 1 231.340 -0.464 20 0 BBADMP COCC[NH2+]CC(=O)N1CCC[N@@H+](C)CC1 ZINC000086157913 357861796 /nfs/dbraw/zinc/86/17/96/357861796.db2.gz RJKXDNBKZYQZMR-UHFFFAOYSA-N 2 1 229.324 -0.614 20 0 BBADMP COCC[NH2+]CC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000086158109 487486877 /nfs/dbraw/zinc/48/68/77/487486877.db2.gz LXBWAQRDKQHEPU-JTQLQIEISA-N 2 1 229.324 -0.567 20 0 BBADMP COCC[NH2+]CC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000086158110 487486777 /nfs/dbraw/zinc/48/67/77/487486777.db2.gz LXBWAQRDKQHEPU-SNVBAGLBSA-N 2 1 229.324 -0.567 20 0 BBADMP CC[N@@H+](C)CCNC(=O)C[NH2+]CCOC ZINC000086158235 343612654 /nfs/dbraw/zinc/61/26/54/343612654.db2.gz JLKOWBCUKKNSAN-UHFFFAOYSA-N 2 1 217.313 -0.710 20 0 BBADMP COCC[NH2+]CC(=O)NCC[N@@H+](C)C(C)C ZINC000086158236 357863400 /nfs/dbraw/zinc/86/34/00/357863400.db2.gz BMNOQXAMDBVSIX-UHFFFAOYSA-N 2 1 231.340 -0.321 20 0 BBADMP COCC[NH2+]CC(=O)NCC[N@@H+](C)C1CC1 ZINC000086158263 357863258 /nfs/dbraw/zinc/86/32/58/357863258.db2.gz PBYGZIJANMPSSE-UHFFFAOYSA-N 2 1 229.324 -0.567 20 0 BBADMP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000086270445 358562611 /nfs/dbraw/zinc/56/26/11/358562611.db2.gz BBYOYDRJFOAYPH-NXEZZACHSA-N 2 1 211.309 -0.242 20 0 BBADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000086270446 358562474 /nfs/dbraw/zinc/56/24/74/358562474.db2.gz BBYOYDRJFOAYPH-VHSXEESVSA-N 2 1 211.309 -0.242 20 0 BBADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000086270447 358562517 /nfs/dbraw/zinc/56/25/17/358562517.db2.gz BBYOYDRJFOAYPH-ZJUUUORDSA-N 2 1 211.309 -0.242 20 0 BBADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000086270448 358562598 /nfs/dbraw/zinc/56/25/98/358562598.db2.gz BBYOYDRJFOAYPH-UWVGGRQHSA-N 2 1 211.309 -0.242 20 0 BBADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000086331419 536353915 /nfs/dbraw/zinc/35/39/15/536353915.db2.gz SHEBQXFFPDYAKS-UTUOFQBUSA-N 2 1 228.336 -0.102 20 0 BBADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000086331419 536353913 /nfs/dbraw/zinc/35/39/13/536353913.db2.gz SHEBQXFFPDYAKS-UTUOFQBUSA-N 2 1 228.336 -0.102 20 0 BBADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H](O)[C@@H](O)C1 ZINC000086331419 536353909 /nfs/dbraw/zinc/35/39/09/536353909.db2.gz SHEBQXFFPDYAKS-UTUOFQBUSA-N 2 1 228.336 -0.102 20 0 BBADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H](O)[C@@H](O)C1 ZINC000086331419 536353906 /nfs/dbraw/zinc/35/39/06/536353906.db2.gz SHEBQXFFPDYAKS-UTUOFQBUSA-N 2 1 228.336 -0.102 20 0 BBADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000086331421 536357416 /nfs/dbraw/zinc/35/74/16/536357416.db2.gz SHEBQXFFPDYAKS-SDDRHHMPSA-N 2 1 228.336 -0.102 20 0 BBADMP C[NH+]1CCCC[C@H]1CC[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000086331421 536357414 /nfs/dbraw/zinc/35/74/14/536357414.db2.gz SHEBQXFFPDYAKS-SDDRHHMPSA-N 2 1 228.336 -0.102 20 0 BBADMP C[N@H+]1CCCC[C@H]1CC[NH+]1C[C@@H](O)[C@@H](O)C1 ZINC000086331421 536357413 /nfs/dbraw/zinc/35/74/13/536357413.db2.gz SHEBQXFFPDYAKS-SDDRHHMPSA-N 2 1 228.336 -0.102 20 0 BBADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1C[C@@H](O)[C@@H](O)C1 ZINC000086331421 536357409 /nfs/dbraw/zinc/35/74/09/536357409.db2.gz SHEBQXFFPDYAKS-SDDRHHMPSA-N 2 1 228.336 -0.102 20 0 BBADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000086331894 384638614 /nfs/dbraw/zinc/63/86/14/384638614.db2.gz YGVXAYYOBAWCAE-AOOOYVTPSA-N 2 1 211.265 -0.771 20 0 BBADMP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000086331894 384638606 /nfs/dbraw/zinc/63/86/06/384638606.db2.gz YGVXAYYOBAWCAE-AOOOYVTPSA-N 2 1 211.265 -0.771 20 0 BBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)COCC[NH3+] ZINC000086434229 487503153 /nfs/dbraw/zinc/50/31/53/487503153.db2.gz LEHPGPVXNCLBGH-SNVBAGLBSA-N 2 1 229.324 -0.438 20 0 BBADMP CC[N@H+]1CCC[C@H]1CNC(=O)COCC[NH3+] ZINC000086434230 487503135 /nfs/dbraw/zinc/50/31/35/487503135.db2.gz LEHPGPVXNCLBGH-JTQLQIEISA-N 2 1 229.324 -0.438 20 0 BBADMP CC[NH+]1CCN(C(=O)COCC[NH3+])CC1 ZINC000086434249 487503195 /nfs/dbraw/zinc/50/31/95/487503195.db2.gz SDIKJDLQLUSFIH-UHFFFAOYSA-N 2 1 215.297 -0.874 20 0 BBADMP C[N@H+]1CCCN(C(=O)COCC[NH3+])CC1 ZINC000086434272 487503042 /nfs/dbraw/zinc/50/30/42/487503042.db2.gz LRPOTQRDTAWFHV-UHFFFAOYSA-N 2 1 215.297 -0.874 20 0 BBADMP CC[N@H+]1CC[C@H](CNC(=O)COCC[NH3+])C1 ZINC000086434510 487503917 /nfs/dbraw/zinc/50/39/17/487503917.db2.gz GVAGBYBAMQNGIO-SNVBAGLBSA-N 2 1 229.324 -0.580 20 0 BBADMP CC[N@H+]1CC[C@@H](CNC(=O)COCC[NH3+])C1 ZINC000086434511 487503804 /nfs/dbraw/zinc/50/38/04/487503804.db2.gz GVAGBYBAMQNGIO-JTQLQIEISA-N 2 1 229.324 -0.580 20 0 BBADMP [NH3+]CCOCC(=O)N1CC[NH+](C2CC2)CC1 ZINC000086434609 487505421 /nfs/dbraw/zinc/50/54/21/487505421.db2.gz BTCPRJZYWKFJDG-UHFFFAOYSA-N 2 1 227.308 -0.732 20 0 BBADMP C[N@H+]1CCC[C@H](NC(=O)COCC[NH3+])C1 ZINC000086434712 487505086 /nfs/dbraw/zinc/50/50/86/487505086.db2.gz WTRIVCKFLZYGCJ-VIFPVBQESA-N 2 1 215.297 -0.828 20 0 BBADMP C[N@H+]1CCC[C@@H](NC(=O)COCC[NH3+])C1 ZINC000086434713 487505211 /nfs/dbraw/zinc/50/52/11/487505211.db2.gz WTRIVCKFLZYGCJ-SECBINFHSA-N 2 1 215.297 -0.828 20 0 BBADMP C[N@H+]1CCC[C@H](CNC(=O)COCC[NH3+])C1 ZINC000086434841 487504729 /nfs/dbraw/zinc/50/47/29/487504729.db2.gz KMKMWGOXVZLKGB-SNVBAGLBSA-N 2 1 229.324 -0.580 20 0 BBADMP C[N@H+]1CCC[C@@H](CNC(=O)COCC[NH3+])C1 ZINC000086434842 487505323 /nfs/dbraw/zinc/50/53/23/487505323.db2.gz KMKMWGOXVZLKGB-JTQLQIEISA-N 2 1 229.324 -0.580 20 0 BBADMP [NH3+]CCOCC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000086434852 487505107 /nfs/dbraw/zinc/50/51/07/487505107.db2.gz IEETXYOVVRUVOZ-VIFPVBQESA-N 2 1 227.308 -0.685 20 0 BBADMP [NH3+]CCOCC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086434853 487504948 /nfs/dbraw/zinc/50/49/48/487504948.db2.gz IEETXYOVVRUVOZ-SECBINFHSA-N 2 1 227.308 -0.685 20 0 BBADMP CC(C)[N@@H+](C)CCNC(=O)COCC[NH3+] ZINC000086434940 487506187 /nfs/dbraw/zinc/50/61/87/487506187.db2.gz RZHMWSIJDATIIW-UHFFFAOYSA-N 2 1 217.313 -0.582 20 0 BBADMP C[N@@H+](CCNC(=O)COCC[NH3+])C1CC1 ZINC000086434981 487506103 /nfs/dbraw/zinc/50/61/03/487506103.db2.gz JTWZVNPKQQZIBQ-UHFFFAOYSA-N 2 1 215.297 -0.828 20 0 BBADMP Cn1cc(C[N@@H+](C)CCOCC[NH3+])cn1 ZINC000086435496 135084313 /nfs/dbraw/zinc/08/43/13/135084313.db2.gz BLSGSKVOZLFJHG-UHFFFAOYSA-N 2 1 212.297 -0.173 20 0 BBADMP [NH3+]CCOCC[NH+]1CCN(C2CC2)CC1 ZINC000086435498 135084297 /nfs/dbraw/zinc/08/42/97/135084297.db2.gz VTTVOZYXFYPUSU-UHFFFAOYSA-N 2 1 213.325 -0.258 20 0 BBADMP CN1CC[N@@H+](CCOCC[NH3+])CC1(C)C ZINC000086435775 487506790 /nfs/dbraw/zinc/50/67/90/487506790.db2.gz DFXSQMCBKYNKTH-UHFFFAOYSA-N 2 1 215.341 -0.012 20 0 BBADMP CN1CC[N@H+](CCOCC[NH3+])CC1(C)C ZINC000086435775 487506784 /nfs/dbraw/zinc/50/67/84/487506784.db2.gz DFXSQMCBKYNKTH-UHFFFAOYSA-N 2 1 215.341 -0.012 20 0 BBADMP C[N@H+]1CCN(CCOCC[NH3+])CC1(C)C ZINC000086435775 487506774 /nfs/dbraw/zinc/50/67/74/487506774.db2.gz DFXSQMCBKYNKTH-UHFFFAOYSA-N 2 1 215.341 -0.012 20 0 BBADMP COC[C@@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000086435868 135084031 /nfs/dbraw/zinc/08/40/31/135084031.db2.gz LLEYERUETJQCCJ-SNVBAGLBSA-N 2 1 202.298 -0.070 20 0 BBADMP COC[C@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000086435870 135084154 /nfs/dbraw/zinc/08/41/54/135084154.db2.gz LLEYERUETJQCCJ-JTQLQIEISA-N 2 1 202.298 -0.070 20 0 BBADMP CN(C)[C@@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000086435908 135084488 /nfs/dbraw/zinc/08/44/88/135084488.db2.gz PVWMNZJDOFJTBF-LLVKDONJSA-N 2 1 215.341 -0.012 20 0 BBADMP CN(C)[C@@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000086435908 135084487 /nfs/dbraw/zinc/08/44/87/135084487.db2.gz PVWMNZJDOFJTBF-LLVKDONJSA-N 2 1 215.341 -0.012 20 0 BBADMP CN(C)[C@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000086435910 536137823 /nfs/dbraw/zinc/13/78/23/536137823.db2.gz PVWMNZJDOFJTBF-NSHDSACASA-N 2 1 215.341 -0.012 20 0 BBADMP CN(C)[C@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000086435910 536137822 /nfs/dbraw/zinc/13/78/22/536137822.db2.gz PVWMNZJDOFJTBF-NSHDSACASA-N 2 1 215.341 -0.012 20 0 BBADMP [NH3+]CCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000086435912 135083990 /nfs/dbraw/zinc/08/39/90/135083990.db2.gz KDFJCRSUFTVYGB-AOOOYVTPSA-N 2 1 200.282 -0.175 20 0 BBADMP [NH3+]CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000086435912 135083989 /nfs/dbraw/zinc/08/39/89/135083989.db2.gz KDFJCRSUFTVYGB-AOOOYVTPSA-N 2 1 200.282 -0.175 20 0 BBADMP CN1CCC[C@@H]1C[N@@H+](C)CCOCC[NH3+] ZINC000086435926 358976598 /nfs/dbraw/zinc/97/65/98/358976598.db2.gz NDOBEOADZLSDTC-LLVKDONJSA-N 2 1 215.341 -0.012 20 0 BBADMP CN1CCC[C@@H]1C[N@H+](C)CCOCC[NH3+] ZINC000086435926 358976594 /nfs/dbraw/zinc/97/65/94/358976594.db2.gz NDOBEOADZLSDTC-LLVKDONJSA-N 2 1 215.341 -0.012 20 0 BBADMP CN(CCOCC[NH3+])C[C@H]1CCC[N@H+]1C ZINC000086435926 358976590 /nfs/dbraw/zinc/97/65/90/358976590.db2.gz NDOBEOADZLSDTC-LLVKDONJSA-N 2 1 215.341 -0.012 20 0 BBADMP CN1CCC[C@H]1C[N@@H+](C)CCOCC[NH3+] ZINC000086435927 358977073 /nfs/dbraw/zinc/97/70/73/358977073.db2.gz NDOBEOADZLSDTC-NSHDSACASA-N 2 1 215.341 -0.012 20 0 BBADMP CN1CCC[C@H]1C[N@H+](C)CCOCC[NH3+] ZINC000086435927 358977070 /nfs/dbraw/zinc/97/70/70/358977070.db2.gz NDOBEOADZLSDTC-NSHDSACASA-N 2 1 215.341 -0.012 20 0 BBADMP CN(CCOCC[NH3+])C[C@@H]1CCC[N@H+]1C ZINC000086435927 358977063 /nfs/dbraw/zinc/97/70/63/358977063.db2.gz NDOBEOADZLSDTC-NSHDSACASA-N 2 1 215.341 -0.012 20 0 BBADMP C[N@@H+](CCC(=O)NC(N)=O)CC(C)(C)C[NH3+] ZINC000086638075 536305046 /nfs/dbraw/zinc/30/50/46/536305046.db2.gz OSKTTZJWXIRFML-UHFFFAOYSA-N 2 1 230.312 -0.512 20 0 BBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638469 135091978 /nfs/dbraw/zinc/09/19/78/135091978.db2.gz ZJBVSLMAFBPDTE-ZETCQYMHSA-N 2 1 230.312 -0.514 20 0 BBADMP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638469 135091976 /nfs/dbraw/zinc/09/19/76/135091976.db2.gz ZJBVSLMAFBPDTE-ZETCQYMHSA-N 2 1 230.312 -0.514 20 0 BBADMP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638470 135092198 /nfs/dbraw/zinc/09/21/98/135092198.db2.gz ZJBVSLMAFBPDTE-SSDOTTSWSA-N 2 1 230.312 -0.514 20 0 BBADMP C[C@H](C(=O)NC(N)=O)[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638470 135092197 /nfs/dbraw/zinc/09/21/97/135092197.db2.gz ZJBVSLMAFBPDTE-SSDOTTSWSA-N 2 1 230.312 -0.514 20 0 BBADMP C[N@@H+](CCOCCO)CC1CC[NH2+]CC1 ZINC000086702793 536396571 /nfs/dbraw/zinc/39/65/71/536396571.db2.gz OHCPWZFODZBITK-UHFFFAOYSA-N 2 1 216.325 -0.073 20 0 BBADMP C[N@@H+](CCS(C)(=O)=O)CC1CC[NH2+]CC1 ZINC000086702847 135095003 /nfs/dbraw/zinc/09/50/03/135095003.db2.gz ICNNXDCLDBZRAH-UHFFFAOYSA-N 2 1 234.365 -0.038 20 0 BBADMP C[C@@H]1C[N@@H+](CCN2CCOCC2)CC[C@@H]1[NH3+] ZINC000086886260 135100111 /nfs/dbraw/zinc/10/01/11/135100111.db2.gz MBQCRUNIRZTDHY-NEPJUHHUSA-N 2 1 227.352 -0.012 20 0 BBADMP C[C@H]1C[N@@H+](CCN2CCOCC2)CC[C@@H]1[NH3+] ZINC000086886263 135100139 /nfs/dbraw/zinc/10/01/39/135100139.db2.gz MBQCRUNIRZTDHY-RYUDHWBXSA-N 2 1 227.352 -0.012 20 0 BBADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)CC[C@@H]1[NH3+] ZINC000086886438 487578076 /nfs/dbraw/zinc/57/80/76/487578076.db2.gz CSDRIASQZKBNFN-KXUCPTDWSA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)CC[C@@H]1[NH3+] ZINC000086886438 487578069 /nfs/dbraw/zinc/57/80/69/487578069.db2.gz CSDRIASQZKBNFN-KXUCPTDWSA-N 2 1 211.309 -0.114 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886905 644256998 /nfs/dbraw/zinc/25/69/98/644256998.db2.gz LDEFETMCSSSGRL-UTLUCORTSA-N 2 1 202.298 -0.337 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000086886907 644258439 /nfs/dbraw/zinc/25/84/39/644258439.db2.gz LDEFETMCSSSGRL-GUBZILKMSA-N 2 1 202.298 -0.337 20 0 BBADMP C[NH2+]CC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000086932367 384721430 /nfs/dbraw/zinc/72/14/30/384721430.db2.gz LJJPWSSKBJUAPJ-NXEZZACHSA-N 2 1 211.309 -0.099 20 0 BBADMP C[NH2+]CC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000086932369 384720312 /nfs/dbraw/zinc/72/03/12/384720312.db2.gz LJJPWSSKBJUAPJ-VHSXEESVSA-N 2 1 211.309 -0.099 20 0 BBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1C[NH2+]C1 ZINC000086932374 388110752 /nfs/dbraw/zinc/11/07/52/388110752.db2.gz FWEYOSFZUQQKQR-MWLCHTKSSA-N 2 1 223.320 -0.099 20 0 BBADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1C[NH2+]C1 ZINC000086932375 388111612 /nfs/dbraw/zinc/11/16/12/388111612.db2.gz FWEYOSFZUQQKQR-GXSJLCMTSA-N 2 1 223.320 -0.099 20 0 BBADMP CC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000087047127 135105165 /nfs/dbraw/zinc/10/51/65/135105165.db2.gz AXIIIYJFCDAHQP-ZJUUUORDSA-N 2 1 229.324 -0.439 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)N1CCN(CCO)CC1 ZINC000087083610 363095345 /nfs/dbraw/zinc/09/53/45/363095345.db2.gz LGYGONGWVJTEIK-UHFFFAOYSA-N 2 1 243.351 -0.537 20 0 BBADMP CCOCCC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000087325963 359907453 /nfs/dbraw/zinc/90/74/53/359907453.db2.gz CRJLVYCOGFXYQO-UHFFFAOYSA-N 2 1 243.351 -0.223 20 0 BBADMP C[N@@H+](CCOCC1CC1)C[C@H](O)C[NH3+] ZINC000087399301 135129591 /nfs/dbraw/zinc/12/95/91/135129591.db2.gz OSHOVOXGSDUFJC-SNVBAGLBSA-N 2 1 202.298 -0.336 20 0 BBADMP C[N@H+](CCOCC1CC1)C[C@H](O)C[NH3+] ZINC000087399301 135129590 /nfs/dbraw/zinc/12/95/90/135129590.db2.gz OSHOVOXGSDUFJC-SNVBAGLBSA-N 2 1 202.298 -0.336 20 0 BBADMP C[N@@H+](CCOCC1CC1)C[C@@H](O)C[NH3+] ZINC000087399302 135129581 /nfs/dbraw/zinc/12/95/81/135129581.db2.gz OSHOVOXGSDUFJC-JTQLQIEISA-N 2 1 202.298 -0.336 20 0 BBADMP C[N@H+](CCOCC1CC1)C[C@@H](O)C[NH3+] ZINC000087399302 135129580 /nfs/dbraw/zinc/12/95/80/135129580.db2.gz OSHOVOXGSDUFJC-JTQLQIEISA-N 2 1 202.298 -0.336 20 0 BBADMP C[NH2+]CCCN(C)C(=O)[C@@H]1CSC[NH2+]1 ZINC000087471689 366597152 /nfs/dbraw/zinc/59/71/52/366597152.db2.gz VQJFIOUZSWWMJP-QMMMGPOBSA-N 2 1 217.338 -0.283 20 0 BBADMP C[NH2+]CCCN(C)C(=O)[C@H]1CSC[NH2+]1 ZINC000087471690 366597069 /nfs/dbraw/zinc/59/70/69/366597069.db2.gz VQJFIOUZSWWMJP-MRVPVSSYSA-N 2 1 217.338 -0.283 20 0 BBADMP C[NH2+]CCCN(C)C(=O)[C@@H]1COCC[NH2+]1 ZINC000087471769 136281468 /nfs/dbraw/zinc/28/14/68/136281468.db2.gz YEBGRKPZLDCANQ-VIFPVBQESA-N 2 1 215.297 -0.957 20 0 BBADMP C[NH2+]CCCN(C)C(=O)[C@H]1COCC[NH2+]1 ZINC000087471770 136281444 /nfs/dbraw/zinc/28/14/44/136281444.db2.gz YEBGRKPZLDCANQ-SECBINFHSA-N 2 1 215.297 -0.957 20 0 BBADMP C[NH2+]CCC[N@@H+](C)CCN1CCOCC1 ZINC000087472556 135143166 /nfs/dbraw/zinc/14/31/66/135143166.db2.gz DMEZJVIVSIAXJP-UHFFFAOYSA-N 2 1 215.341 -0.140 20 0 BBADMP C[NH2+]CCC[N@H+](C)CCN1CCOCC1 ZINC000087472556 135143165 /nfs/dbraw/zinc/14/31/65/135143165.db2.gz DMEZJVIVSIAXJP-UHFFFAOYSA-N 2 1 215.341 -0.140 20 0 BBADMP CCOC[C@@H](O)C[N@@H+](C)CCC[NH2+]C ZINC000087472759 640898201 /nfs/dbraw/zinc/89/82/01/640898201.db2.gz BSCXSEVJYXDYGG-JTQLQIEISA-N 2 1 204.314 -0.075 20 0 BBADMP C[NH+]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000087508136 135148835 /nfs/dbraw/zinc/14/88/35/135148835.db2.gz BJKCBYJKRRYKTB-SNVBAGLBSA-N 2 1 227.308 -0.861 20 0 BBADMP C[NH+]1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000087508138 135149235 /nfs/dbraw/zinc/14/92/35/135149235.db2.gz BJKCBYJKRRYKTB-JTQLQIEISA-N 2 1 227.308 -0.861 20 0 BBADMP CC[N@@H+](C)CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000087509453 135149907 /nfs/dbraw/zinc/14/99/07/135149907.db2.gz GRRHLNGVHPVBTB-SNVBAGLBSA-N 2 1 229.324 -0.567 20 0 BBADMP CC[N@@H+](C)CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000087509456 135149978 /nfs/dbraw/zinc/14/99/78/135149978.db2.gz GRRHLNGVHPVBTB-JTQLQIEISA-N 2 1 229.324 -0.567 20 0 BBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCF)C1 ZINC000087776587 641025426 /nfs/dbraw/zinc/02/54/26/641025426.db2.gz GCIRHBGIALBRFS-VIFPVBQESA-N 2 1 217.288 -0.257 20 0 BBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCF)C1 ZINC000087776588 643675137 /nfs/dbraw/zinc/67/51/37/643675137.db2.gz GCIRHBGIALBRFS-SECBINFHSA-N 2 1 217.288 -0.257 20 0 BBADMP CC[N@@H+](C)CCNC(=O)[C@H]([NH3+])COC ZINC000088004113 136283210 /nfs/dbraw/zinc/28/32/10/136283210.db2.gz IKCJAJXRRYKIMT-MRVPVSSYSA-N 2 1 203.286 -0.972 20 0 BBADMP CC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])COC ZINC000088004114 136283222 /nfs/dbraw/zinc/28/32/22/136283222.db2.gz IKCJAJXRRYKIMT-QMMMGPOBSA-N 2 1 203.286 -0.972 20 0 BBADMP COC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C(C)C ZINC000088004117 136283483 /nfs/dbraw/zinc/28/34/83/136283483.db2.gz WLPZEJKZKUJAOW-SECBINFHSA-N 2 1 217.313 -0.584 20 0 BBADMP COC[C@H]([NH3+])C(=O)NCC[N@@H+](C)C(C)C ZINC000088004118 384950626 /nfs/dbraw/zinc/95/06/26/384950626.db2.gz WLPZEJKZKUJAOW-VIFPVBQESA-N 2 1 217.313 -0.584 20 0 BBADMP COC(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OC ZINC000088009388 641146723 /nfs/dbraw/zinc/14/67/23/641146723.db2.gz PDLICRDMHNQSNW-DTORHVGOSA-N 2 1 200.282 -0.244 20 0 BBADMP COC(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OC ZINC000088009388 641146715 /nfs/dbraw/zinc/14/67/15/641146715.db2.gz PDLICRDMHNQSNW-DTORHVGOSA-N 2 1 200.282 -0.244 20 0 BBADMP COC(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)OC ZINC000088009391 641238157 /nfs/dbraw/zinc/23/81/57/641238157.db2.gz PDLICRDMHNQSNW-RKDXNWHRSA-N 2 1 200.282 -0.244 20 0 BBADMP COC(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)OC ZINC000088009392 641238611 /nfs/dbraw/zinc/23/86/11/641238611.db2.gz PDLICRDMHNQSNW-IUCAKERBSA-N 2 1 200.282 -0.244 20 0 BBADMP C[N@@H+](CCCF)CC(=O)N1CC[NH2+]CC1 ZINC000088026321 343694443 /nfs/dbraw/zinc/69/44/43/343694443.db2.gz JCAXTIMETHLEMB-UHFFFAOYSA-N 2 1 217.288 -0.290 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)C1([NH3+])CCC1 ZINC000088051067 362840805 /nfs/dbraw/zinc/84/08/05/362840805.db2.gz RWPZVHPRWPCNKZ-UHFFFAOYSA-N 2 1 229.324 -0.438 20 0 BBADMP C[N@H+]1CCC[C@H]2CN(C(=O)C[NH3+])CC[C@@H]21 ZINC000088091213 136284299 /nfs/dbraw/zinc/28/42/99/136284299.db2.gz XIVQRHTUXOEDPV-UWVGGRQHSA-N 2 1 211.309 -0.112 20 0 BBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C[NH3+])CC[C@@H]21 ZINC000088091214 536377443 /nfs/dbraw/zinc/37/74/43/536377443.db2.gz XIVQRHTUXOEDPV-ZJUUUORDSA-N 2 1 211.309 -0.112 20 0 BBADMP OC[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000088098930 632654571 /nfs/dbraw/zinc/65/45/71/632654571.db2.gz NVIMXONKXRHMMZ-NSHDSACASA-N 2 1 214.309 -0.321 20 0 BBADMP OC[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000088098932 641162291 /nfs/dbraw/zinc/16/22/91/641162291.db2.gz NVIMXONKXRHMMZ-LLVKDONJSA-N 2 1 214.309 -0.321 20 0 BBADMP COCC[N@H+]1CCCN(C(=O)C2([NH3+])CC2)CC1 ZINC000088130628 359938949 /nfs/dbraw/zinc/93/89/49/359938949.db2.gz FFZICNNPMZWERO-UHFFFAOYSA-N 2 1 241.335 -0.342 20 0 BBADMP CC(C)OC[C@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287357 356655855 /nfs/dbraw/zinc/65/58/55/356655855.db2.gz QQZKTANKOBOSMZ-GRYCIOLGSA-N 2 1 228.336 -0.077 20 0 BBADMP CC(C)OC[C@@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287360 356655436 /nfs/dbraw/zinc/65/54/36/356655436.db2.gz QQZKTANKOBOSMZ-TUAOUCFPSA-N 2 1 228.336 -0.077 20 0 BBADMP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287785 368909654 /nfs/dbraw/zinc/90/96/54/368909654.db2.gz WPOGIWBRBIQPKM-LPEHRKFASA-N 2 1 211.309 -0.386 20 0 BBADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287785 368909650 /nfs/dbraw/zinc/90/96/50/368909650.db2.gz WPOGIWBRBIQPKM-LPEHRKFASA-N 2 1 211.309 -0.386 20 0 BBADMP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287787 368909748 /nfs/dbraw/zinc/90/97/48/368909748.db2.gz WPOGIWBRBIQPKM-BBBLOLIVSA-N 2 1 211.309 -0.386 20 0 BBADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287787 368909745 /nfs/dbraw/zinc/90/97/45/368909745.db2.gz WPOGIWBRBIQPKM-BBBLOLIVSA-N 2 1 211.309 -0.386 20 0 BBADMP C[C@H](C(=O)N(C)C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088287791 356657168 /nfs/dbraw/zinc/65/71/68/356657168.db2.gz WPOGIWBRBIQPKM-OPRDCNLKSA-N 2 1 211.309 -0.386 20 0 BBADMP CCNC(=O)CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088288293 356656301 /nfs/dbraw/zinc/65/63/01/356656301.db2.gz URXHCNKVPXIARJ-AOOOYVTPSA-N 2 1 211.309 -0.336 20 0 BBADMP CN(C)C(=O)CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088301036 368909908 /nfs/dbraw/zinc/90/99/08/368909908.db2.gz HJVDRNPTYIHSJR-AOOOYVTPSA-N 2 1 211.309 -0.384 20 0 BBADMP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000088357573 359948905 /nfs/dbraw/zinc/94/89/05/359948905.db2.gz PPGRTODGAIEJEU-JTQLQIEISA-N 2 1 243.351 -0.321 20 0 BBADMP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1COCC[NH2+]1 ZINC000088357574 359947857 /nfs/dbraw/zinc/94/78/57/359947857.db2.gz PPGRTODGAIEJEU-SNVBAGLBSA-N 2 1 243.351 -0.321 20 0 BBADMP CC[NH+](CC)CCCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000088357739 359948223 /nfs/dbraw/zinc/94/82/23/359948223.db2.gz VBEBPJDGIGHHJT-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP CC[NH+](CC)CCCNC(=O)[C@H]1COCC[NH2+]1 ZINC000088357740 359948825 /nfs/dbraw/zinc/94/88/25/359948825.db2.gz VBEBPJDGIGHHJT-LLVKDONJSA-N 2 1 243.351 -0.177 20 0 BBADMP O=C(NCCC[NH+]1CCCC1)[C@@H]1COCC[NH2+]1 ZINC000088357931 359948920 /nfs/dbraw/zinc/94/89/20/359948920.db2.gz MVMYIJFEHGWVNQ-NSHDSACASA-N 2 1 241.335 -0.423 20 0 BBADMP O=C(NCCC[NH+]1CCCC1)[C@H]1COCC[NH2+]1 ZINC000088357932 135519619 /nfs/dbraw/zinc/51/96/19/135519619.db2.gz MVMYIJFEHGWVNQ-LLVKDONJSA-N 2 1 241.335 -0.423 20 0 BBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000088370008 359948837 /nfs/dbraw/zinc/94/88/37/359948837.db2.gz DCGKOWXBXSQRLD-MNOVXSKESA-N 2 1 241.335 -0.567 20 0 BBADMP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000088370008 359948834 /nfs/dbraw/zinc/94/88/34/359948834.db2.gz DCGKOWXBXSQRLD-MNOVXSKESA-N 2 1 241.335 -0.567 20 0 BBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2COCCN2)C1 ZINC000088370008 359948831 /nfs/dbraw/zinc/94/88/31/359948831.db2.gz DCGKOWXBXSQRLD-MNOVXSKESA-N 2 1 241.335 -0.567 20 0 BBADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000088370009 359948024 /nfs/dbraw/zinc/94/80/24/359948024.db2.gz DCGKOWXBXSQRLD-QWRGUYRKSA-N 2 1 241.335 -0.567 20 0 BBADMP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000088370009 359948019 /nfs/dbraw/zinc/94/80/19/359948019.db2.gz DCGKOWXBXSQRLD-QWRGUYRKSA-N 2 1 241.335 -0.567 20 0 BBADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2COCCN2)C1 ZINC000088370009 359948013 /nfs/dbraw/zinc/94/80/13/359948013.db2.gz DCGKOWXBXSQRLD-QWRGUYRKSA-N 2 1 241.335 -0.567 20 0 BBADMP O=C([C@@H]1COCCN1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000088370783 359948339 /nfs/dbraw/zinc/94/83/39/359948339.db2.gz AVPFUNUUKMZEIS-MNOVXSKESA-N 2 1 239.319 -0.719 20 0 BBADMP O=C([C@@H]1COCCN1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000088370784 359948499 /nfs/dbraw/zinc/94/84/99/359948499.db2.gz AVPFUNUUKMZEIS-QWRGUYRKSA-N 2 1 239.319 -0.719 20 0 BBADMP C[NH+]1CCC(CNC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000088372068 359949815 /nfs/dbraw/zinc/94/98/15/359949815.db2.gz PZLQCAYKHDPDGZ-NSHDSACASA-N 2 1 241.335 -0.567 20 0 BBADMP C[NH+]1CCC(CNC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000088372069 359949896 /nfs/dbraw/zinc/94/98/96/359949896.db2.gz PZLQCAYKHDPDGZ-LLVKDONJSA-N 2 1 241.335 -0.567 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000089747911 644563973 /nfs/dbraw/zinc/56/39/73/644563973.db2.gz MEWXDJXMYHLIIC-NSHDSACASA-N 2 1 243.351 -0.320 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000089747915 487851966 /nfs/dbraw/zinc/85/19/66/487851966.db2.gz MEWXDJXMYHLIIC-LLVKDONJSA-N 2 1 243.351 -0.320 20 0 BBADMP Cn1cncc1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000090168740 487919840 /nfs/dbraw/zinc/91/98/40/487919840.db2.gz YHDANTDVOZCTQM-UHFFFAOYSA-N 2 1 237.351 -0.243 20 0 BBADMP Cn1cncc1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000090168740 487919836 /nfs/dbraw/zinc/91/98/36/487919836.db2.gz YHDANTDVOZCTQM-UHFFFAOYSA-N 2 1 237.351 -0.243 20 0 BBADMP CC[NH+]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000091299169 353405906 /nfs/dbraw/zinc/40/59/06/353405906.db2.gz XSCGFGQNMLODDM-LLVKDONJSA-N 2 1 241.335 -0.471 20 0 BBADMP CC[NH+]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000091299170 353405452 /nfs/dbraw/zinc/40/54/52/353405452.db2.gz XSCGFGQNMLODDM-NSHDSACASA-N 2 1 241.335 -0.471 20 0 BBADMP C[N@H+]1CCCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000091299250 173011387 /nfs/dbraw/zinc/01/13/87/173011387.db2.gz IKQVETPUBHEDQP-LLVKDONJSA-N 2 1 241.335 -0.471 20 0 BBADMP C[N@H+]1CCCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000091299251 173011597 /nfs/dbraw/zinc/01/15/97/173011597.db2.gz IKQVETPUBHEDQP-NSHDSACASA-N 2 1 241.335 -0.471 20 0 BBADMP C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000091310289 488042101 /nfs/dbraw/zinc/04/21/01/488042101.db2.gz UFZUQAGUJVCUIB-WDEREUQCSA-N 2 1 241.335 -0.425 20 0 BBADMP C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000091310291 488041979 /nfs/dbraw/zinc/04/19/79/488041979.db2.gz UFZUQAGUJVCUIB-GHMZBOCLSA-N 2 1 241.335 -0.425 20 0 BBADMP CC(C)[N@@H+](C)CCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091311713 386293794 /nfs/dbraw/zinc/29/37/94/386293794.db2.gz KJRUTCLWSIXCMK-LLVKDONJSA-N 2 1 243.351 -0.179 20 0 BBADMP CC(C)[N@@H+](C)CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000091311716 386294092 /nfs/dbraw/zinc/29/40/92/386294092.db2.gz KJRUTCLWSIXCMK-NSHDSACASA-N 2 1 243.351 -0.179 20 0 BBADMP C[N@@H+](CCNC(=O)C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000091311894 172741189 /nfs/dbraw/zinc/74/11/89/172741189.db2.gz YJBSBTGUQPATPS-LLVKDONJSA-N 2 1 241.335 -0.425 20 0 BBADMP C[N@@H+](CCNC(=O)C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000091311895 386294673 /nfs/dbraw/zinc/29/46/73/386294673.db2.gz YJBSBTGUQPATPS-NSHDSACASA-N 2 1 241.335 -0.425 20 0 BBADMP COCC[N@H+]1CCCN(C(=O)C2C[NH2+]C2)CC1 ZINC000091412670 360114812 /nfs/dbraw/zinc/11/48/12/360114812.db2.gz MKCMXRJIRIVIHV-UHFFFAOYSA-N 2 1 241.335 -0.614 20 0 BBADMP C[C@H](C[NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091666886 360122295 /nfs/dbraw/zinc/12/22/95/360122295.db2.gz GDCNJAHXMCRHCZ-GMTAPVOTSA-N 2 1 241.335 -0.439 20 0 BBADMP C[C@H](C[NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091666888 360122153 /nfs/dbraw/zinc/12/21/53/360122153.db2.gz GDCNJAHXMCRHCZ-MXWKQRLJSA-N 2 1 241.335 -0.439 20 0 BBADMP [NH3+]C1(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000091667892 632124162 /nfs/dbraw/zinc/12/41/62/632124162.db2.gz RYBWUUXAMPZQAP-NXEZZACHSA-N 2 1 239.319 -0.543 20 0 BBADMP [NH3+]C1(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000091667893 632123302 /nfs/dbraw/zinc/12/33/02/632123302.db2.gz RYBWUUXAMPZQAP-VHSXEESVSA-N 2 1 239.319 -0.543 20 0 BBADMP [NH3+]C1(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000091667894 632123217 /nfs/dbraw/zinc/12/32/17/632123217.db2.gz RYBWUUXAMPZQAP-ZJUUUORDSA-N 2 1 239.319 -0.543 20 0 BBADMP [NH3+]C1(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000091667895 632124348 /nfs/dbraw/zinc/12/43/48/632124348.db2.gz RYBWUUXAMPZQAP-UWVGGRQHSA-N 2 1 239.319 -0.543 20 0 BBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1C[NH2+]C1 ZINC000091667920 360123023 /nfs/dbraw/zinc/12/30/23/360123023.db2.gz YFQXCGTUWFSHNN-GHMZBOCLSA-N 2 1 239.319 -0.815 20 0 BBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1C[NH2+]C1 ZINC000091667921 360123417 /nfs/dbraw/zinc/12/34/17/360123417.db2.gz YFQXCGTUWFSHNN-WDEREUQCSA-N 2 1 239.319 -0.815 20 0 BBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1C[NH2+]C1 ZINC000091667922 360123089 /nfs/dbraw/zinc/12/30/89/360123089.db2.gz YFQXCGTUWFSHNN-MNOVXSKESA-N 2 1 239.319 -0.815 20 0 BBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C1C[NH2+]C1 ZINC000091667923 360123391 /nfs/dbraw/zinc/12/33/91/360123391.db2.gz YFQXCGTUWFSHNN-QWRGUYRKSA-N 2 1 239.319 -0.815 20 0 BBADMP CC(C)([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091667970 360122916 /nfs/dbraw/zinc/12/29/16/360122916.db2.gz UBOBYWOSPLUXCW-NXEZZACHSA-N 2 1 241.335 -0.297 20 0 BBADMP CC(C)([NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091667971 360123402 /nfs/dbraw/zinc/12/34/02/360123402.db2.gz UBOBYWOSPLUXCW-ZJUUUORDSA-N 2 1 241.335 -0.297 20 0 BBADMP CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668064 632124014 /nfs/dbraw/zinc/12/40/14/632124014.db2.gz BKHVPKCSERCAJV-GMTAPVOTSA-N 2 1 241.335 -0.297 20 0 BBADMP CC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668065 632122792 /nfs/dbraw/zinc/12/27/92/632122792.db2.gz BKHVPKCSERCAJV-OUAUKWLOSA-N 2 1 241.335 -0.297 20 0 BBADMP [NH3+]CCCC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668273 360123445 /nfs/dbraw/zinc/12/34/45/360123445.db2.gz JJXCOAOQPMGWLQ-GHMZBOCLSA-N 2 1 241.335 -0.295 20 0 BBADMP [NH3+]CCCC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000091668274 360123262 /nfs/dbraw/zinc/12/32/62/360123262.db2.gz JJXCOAOQPMGWLQ-WDEREUQCSA-N 2 1 241.335 -0.295 20 0 BBADMP [NH3+]CCCC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668275 360123441 /nfs/dbraw/zinc/12/34/41/360123441.db2.gz JJXCOAOQPMGWLQ-MNOVXSKESA-N 2 1 241.335 -0.295 20 0 BBADMP [NH3+]CCCC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000091668276 360123437 /nfs/dbraw/zinc/12/34/37/360123437.db2.gz JJXCOAOQPMGWLQ-QWRGUYRKSA-N 2 1 241.335 -0.295 20 0 BBADMP COC[C@H](O)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668299 644633850 /nfs/dbraw/zinc/63/38/50/644633850.db2.gz CJMSCVMITVUSMG-IJLUTSLNSA-N 2 1 244.335 -0.554 20 0 BBADMP COC[C@H](O)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668299 644633845 /nfs/dbraw/zinc/63/38/45/644633845.db2.gz CJMSCVMITVUSMG-IJLUTSLNSA-N 2 1 244.335 -0.554 20 0 BBADMP COC[C@@H](O)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668300 644633192 /nfs/dbraw/zinc/63/31/92/644633192.db2.gz CJMSCVMITVUSMG-GRYCIOLGSA-N 2 1 244.335 -0.554 20 0 BBADMP COC[C@@H](O)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668300 644633185 /nfs/dbraw/zinc/63/31/85/644633185.db2.gz CJMSCVMITVUSMG-GRYCIOLGSA-N 2 1 244.335 -0.554 20 0 BBADMP COC[C@H](O)C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668301 644634802 /nfs/dbraw/zinc/63/48/02/644634802.db2.gz CJMSCVMITVUSMG-UTUOFQBUSA-N 2 1 244.335 -0.554 20 0 BBADMP COC[C@H](O)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668301 644634798 /nfs/dbraw/zinc/63/47/98/644634798.db2.gz CJMSCVMITVUSMG-UTUOFQBUSA-N 2 1 244.335 -0.554 20 0 BBADMP COC[C@@H](O)C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668302 644635304 /nfs/dbraw/zinc/63/53/04/644635304.db2.gz CJMSCVMITVUSMG-WOPDTQHZSA-N 2 1 244.335 -0.554 20 0 BBADMP COC[C@@H](O)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668302 644635299 /nfs/dbraw/zinc/63/52/99/644635299.db2.gz CJMSCVMITVUSMG-WOPDTQHZSA-N 2 1 244.335 -0.554 20 0 BBADMP CC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668351 360123460 /nfs/dbraw/zinc/12/34/60/360123460.db2.gz BKHVPKCSERCAJV-MXWKQRLJSA-N 2 1 241.335 -0.297 20 0 BBADMP CC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668352 360122839 /nfs/dbraw/zinc/12/28/39/360122839.db2.gz BKHVPKCSERCAJV-VWYCJHECSA-N 2 1 241.335 -0.297 20 0 BBADMP C[NH2+]CCC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668361 360122689 /nfs/dbraw/zinc/12/26/89/360122689.db2.gz RSKIWVPRURBOBG-GHMZBOCLSA-N 2 1 241.335 -0.425 20 0 BBADMP C[NH2+]CCC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668362 360122796 /nfs/dbraw/zinc/12/27/96/360122796.db2.gz RSKIWVPRURBOBG-MNOVXSKESA-N 2 1 241.335 -0.425 20 0 BBADMP C[C@H]([NH3+])CC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668369 632124198 /nfs/dbraw/zinc/12/41/98/632124198.db2.gz HVLHFQPAGFFKLX-HBNTYKKESA-N 2 1 241.335 -0.297 20 0 BBADMP C[C@@H]([NH3+])CC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668370 641581294 /nfs/dbraw/zinc/58/12/94/641581294.db2.gz HVLHFQPAGFFKLX-GMTAPVOTSA-N 2 1 241.335 -0.297 20 0 BBADMP C[C@H]([NH3+])CC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668371 631542135 /nfs/dbraw/zinc/54/21/35/631542135.db2.gz HVLHFQPAGFFKLX-AXFHLTTASA-N 2 1 241.335 -0.297 20 0 BBADMP C[C@@H]([NH3+])CC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668372 632122987 /nfs/dbraw/zinc/12/29/87/632122987.db2.gz HVLHFQPAGFFKLX-MXWKQRLJSA-N 2 1 241.335 -0.297 20 0 BBADMP CC[NH2+]CC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668408 631543330 /nfs/dbraw/zinc/54/33/30/631543330.db2.gz ABAQWSAOAJUMFU-GHMZBOCLSA-N 2 1 241.335 -0.425 20 0 BBADMP CC[NH2+]CC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668409 631542530 /nfs/dbraw/zinc/54/25/30/631542530.db2.gz ABAQWSAOAJUMFU-MNOVXSKESA-N 2 1 241.335 -0.425 20 0 BBADMP C[NH2+][C@@H](C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668420 641581404 /nfs/dbraw/zinc/58/14/04/641581404.db2.gz ICAICLPNQGIEKW-HBNTYKKESA-N 2 1 241.335 -0.426 20 0 BBADMP C[NH2+][C@@H](C)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668422 644635256 /nfs/dbraw/zinc/63/52/56/644635256.db2.gz ICAICLPNQGIEKW-AXFHLTTASA-N 2 1 241.335 -0.426 20 0 BBADMP O=C1NC[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CCN12 ZINC000091753293 386306286 /nfs/dbraw/zinc/30/62/86/386306286.db2.gz UCRPMHPBZZJRQP-LLVKDONJSA-N 2 1 238.335 -0.305 20 0 BBADMP O=C1NC[C@H]2C[N@@H+](CC3CC[NH2+]CC3)CCN12 ZINC000091753295 386306646 /nfs/dbraw/zinc/30/66/46/386306646.db2.gz UCRPMHPBZZJRQP-NSHDSACASA-N 2 1 238.335 -0.305 20 0 BBADMP CNC(=O)NC(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091846359 644642726 /nfs/dbraw/zinc/64/27/26/644642726.db2.gz RPWWYRSWXYYIFH-UHFFFAOYSA-N 2 1 242.323 -0.356 20 0 BBADMP C[N@@H+](CCC(=O)NC(N)=O)C1CCC([NH3+])CC1 ZINC000091847965 644643114 /nfs/dbraw/zinc/64/31/14/644643114.db2.gz NCLWTYGFSHLAEY-UHFFFAOYSA-N 2 1 242.323 -0.227 20 0 BBADMP C[NH2+]C[C@H](C)C(=O)NCCC[NH+]1CCOCC1 ZINC000092132733 173373881 /nfs/dbraw/zinc/37/38/81/173373881.db2.gz AOZMRNARLHYXPU-NSHDSACASA-N 2 1 243.351 -0.320 20 0 BBADMP C[NH2+]C[C@@H](C)C(=O)NCCC[NH+]1CCOCC1 ZINC000092132734 173362557 /nfs/dbraw/zinc/36/25/57/173362557.db2.gz AOZMRNARLHYXPU-LLVKDONJSA-N 2 1 243.351 -0.320 20 0 BBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C[NH2+]CCOC ZINC000092495157 353431946 /nfs/dbraw/zinc/43/19/46/353431946.db2.gz QUPXYUFYXOOGBY-LLVKDONJSA-N 2 1 243.351 -0.177 20 0 BBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C[NH2+]CCOC ZINC000092495158 353432001 /nfs/dbraw/zinc/43/20/01/353432001.db2.gz QUPXYUFYXOOGBY-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP COCC[NH2+]CC(=O)N1CC[NH+](C(C)C)CC1 ZINC000092495213 174331396 /nfs/dbraw/zinc/33/13/96/174331396.db2.gz BVIYIPTXUSEYNS-UHFFFAOYSA-N 2 1 243.351 -0.225 20 0 BBADMP CC[N@H+]1CC[C@H](CNC(=O)C[NH2+]CCOC)C1 ZINC000092495636 170015002 /nfs/dbraw/zinc/01/50/02/170015002.db2.gz YSALSFSOTQIGDI-LLVKDONJSA-N 2 1 243.351 -0.320 20 0 BBADMP COCC[NH2+]CC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000092495875 174331006 /nfs/dbraw/zinc/33/10/06/174331006.db2.gz WPAUSGQLNADGAX-LLVKDONJSA-N 2 1 241.335 -0.471 20 0 BBADMP COCC[NH2+]CC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000092495876 174331188 /nfs/dbraw/zinc/33/11/88/174331188.db2.gz WPAUSGQLNADGAX-NSHDSACASA-N 2 1 241.335 -0.471 20 0 BBADMP COCC[NH2+]CC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000092509812 174331137 /nfs/dbraw/zinc/33/11/37/174331137.db2.gz ZOSWVJRWARMHGQ-SNVBAGLBSA-N 2 1 241.335 -0.425 20 0 BBADMP COCC[NH2+]CC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000092509813 174331432 /nfs/dbraw/zinc/33/14/32/174331432.db2.gz ZOSWVJRWARMHGQ-JTQLQIEISA-N 2 1 241.335 -0.425 20 0 BBADMP CN(CCN1CC[NH2+]CC1)C[C@H]1CCC[N@H+]1C ZINC000092629195 344299744 /nfs/dbraw/zinc/29/97/44/344299744.db2.gz SDMWCKIEZLMCRQ-CYBMUJFWSA-N 2 1 240.395 -0.082 20 0 BBADMP CN(CCN1CC[NH2+]CC1)C[C@@H]1CCC[N@H+]1C ZINC000092629196 344299914 /nfs/dbraw/zinc/29/99/14/344299914.db2.gz SDMWCKIEZLMCRQ-ZDUSSCGKSA-N 2 1 240.395 -0.082 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000092956685 343150161 /nfs/dbraw/zinc/15/01/61/343150161.db2.gz WJUZDCOAXAXTFF-GHMZBOCLSA-N 2 1 243.351 -0.321 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000092956686 343150251 /nfs/dbraw/zinc/15/02/51/343150251.db2.gz WJUZDCOAXAXTFF-WDEREUQCSA-N 2 1 243.351 -0.321 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000092956687 343150286 /nfs/dbraw/zinc/15/02/86/343150286.db2.gz WJUZDCOAXAXTFF-MNOVXSKESA-N 2 1 243.351 -0.321 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000092956688 343150225 /nfs/dbraw/zinc/15/02/25/343150225.db2.gz WJUZDCOAXAXTFF-QWRGUYRKSA-N 2 1 243.351 -0.321 20 0 BBADMP CN(CC(=O)N1CCN(C)CC1)CC(C)(C)O ZINC000092971481 360207369 /nfs/dbraw/zinc/20/73/69/360207369.db2.gz QSXCMUPJXSFVPX-UHFFFAOYSA-N 2 1 243.351 -0.537 20 0 BBADMP CN1CCN(C(=O)C[N@@H+](C)CC(C)(C)O)CC1 ZINC000092971481 360207366 /nfs/dbraw/zinc/20/73/66/360207366.db2.gz QSXCMUPJXSFVPX-UHFFFAOYSA-N 2 1 243.351 -0.537 20 0 BBADMP [NH3+]CCOCC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000093230902 488143110 /nfs/dbraw/zinc/14/31/10/488143110.db2.gz AXBYICREJBXZBU-QWRGUYRKSA-N 2 1 241.335 -0.295 20 0 BBADMP [NH3+]CCOCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000093230903 488143024 /nfs/dbraw/zinc/14/30/24/488143024.db2.gz AXBYICREJBXZBU-MNOVXSKESA-N 2 1 241.335 -0.295 20 0 BBADMP CC(C)[N@H+]1CC[C@H](CNC(=O)COCC[NH3+])C1 ZINC000093231830 488146514 /nfs/dbraw/zinc/14/65/14/488146514.db2.gz XTYOCQDVSQYNOO-LLVKDONJSA-N 2 1 243.351 -0.192 20 0 BBADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)COCC[NH3+])C1 ZINC000093231831 488146408 /nfs/dbraw/zinc/14/64/08/488146408.db2.gz XTYOCQDVSQYNOO-NSHDSACASA-N 2 1 243.351 -0.192 20 0 BBADMP C[N@@H+](CCNC(=O)COCC[NH3+])C1CCCC1 ZINC000093232237 488147214 /nfs/dbraw/zinc/14/72/14/488147214.db2.gz FLXTWGPHUBBUJZ-UHFFFAOYSA-N 2 1 243.351 -0.048 20 0 BBADMP C[N@@H+](CCN1C(=O)CNC1=O)CC(C)(C)C[NH3+] ZINC000093874186 386429783 /nfs/dbraw/zinc/42/97/83/386429783.db2.gz QDSFCJGRCSECRB-UHFFFAOYSA-N 2 1 242.323 -0.545 20 0 BBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093874326 360286208 /nfs/dbraw/zinc/28/62/08/360286208.db2.gz ORLGCIDDNAVSSQ-QMMMGPOBSA-N 2 1 244.339 -0.253 20 0 BBADMP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000093874326 360286207 /nfs/dbraw/zinc/28/62/07/360286207.db2.gz ORLGCIDDNAVSSQ-QMMMGPOBSA-N 2 1 244.339 -0.253 20 0 BBADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093874327 360286397 /nfs/dbraw/zinc/28/63/97/360286397.db2.gz ORLGCIDDNAVSSQ-MRVPVSSYSA-N 2 1 244.339 -0.253 20 0 BBADMP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000093874327 360286395 /nfs/dbraw/zinc/28/63/95/360286395.db2.gz ORLGCIDDNAVSSQ-MRVPVSSYSA-N 2 1 244.339 -0.253 20 0 BBADMP [NH3+]C1(CC(=O)N2CC[NH+](CCO)CC2)CCC1 ZINC000094293565 487524766 /nfs/dbraw/zinc/52/47/66/487524766.db2.gz CZAGJHGHICTFLT-UHFFFAOYSA-N 2 1 241.335 -0.606 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)CC1([NH3+])CCC1 ZINC000094295357 487527607 /nfs/dbraw/zinc/52/76/07/487527607.db2.gz YTJQJVXZWQSCAE-UHFFFAOYSA-N 2 1 243.351 -0.048 20 0 BBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)CC[C@@H]1[NH3+] ZINC000094342002 176291149 /nfs/dbraw/zinc/29/11/49/176291149.db2.gz VJNPZKVIISSYSI-ZJUUUORDSA-N 2 1 239.319 -0.196 20 0 BBADMP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)CC[C@@H]1[NH3+] ZINC000094342002 176291147 /nfs/dbraw/zinc/29/11/47/176291147.db2.gz VJNPZKVIISSYSI-ZJUUUORDSA-N 2 1 239.319 -0.196 20 0 BBADMP C[C@H]1C[N@@H+](CCN2C(=O)CCC2=O)CC[C@@H]1[NH3+] ZINC000094342003 177251483 /nfs/dbraw/zinc/25/14/83/177251483.db2.gz VJNPZKVIISSYSI-UWVGGRQHSA-N 2 1 239.319 -0.196 20 0 BBADMP C[C@H]1C[N@H+](CCN2C(=O)CCC2=O)CC[C@@H]1[NH3+] ZINC000094342003 177251482 /nfs/dbraw/zinc/25/14/82/177251482.db2.gz VJNPZKVIISSYSI-UWVGGRQHSA-N 2 1 239.319 -0.196 20 0 BBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094342126 173286024 /nfs/dbraw/zinc/28/60/24/173286024.db2.gz UTMQASPZYNTVBK-BDAKNGLRSA-N 2 1 242.323 -0.499 20 0 BBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000094342127 173286638 /nfs/dbraw/zinc/28/66/38/173286638.db2.gz UTMQASPZYNTVBK-IUCAKERBSA-N 2 1 242.323 -0.499 20 0 BBADMP CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000094564302 353514582 /nfs/dbraw/zinc/51/45/82/353514582.db2.gz YSFZRZHCFJSTBA-MNOVXSKESA-N 2 1 241.335 -0.343 20 0 BBADMP C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000094564837 173011169 /nfs/dbraw/zinc/01/11/69/173011169.db2.gz RCGVYOAZHKDWBJ-MNOVXSKESA-N 2 1 241.335 -0.343 20 0 BBADMP C[N@@H+](CCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)C1CC1 ZINC000094571635 386458671 /nfs/dbraw/zinc/45/86/71/386458671.db2.gz XCYUUFPTOYEGOS-MNOVXSKESA-N 2 1 241.335 -0.297 20 0 BBADMP CC[NH+]1CCN(C(=O)COC2(C)C[NH2+]C2)CC1 ZINC000098061518 487720487 /nfs/dbraw/zinc/72/04/87/487720487.db2.gz HYGABKMNWGVIRK-UHFFFAOYSA-N 2 1 241.335 -0.471 20 0 BBADMP C[N@H+]1CC[C@@H](CNC(=O)COC2(C)C[NH2+]C2)C1 ZINC000098061658 487720219 /nfs/dbraw/zinc/72/02/19/487720219.db2.gz WUUKXHXAZGHTFT-JTQLQIEISA-N 2 1 241.335 -0.567 20 0 BBADMP C[N@H+]1CC[C@H](CNC(=O)COC2(C)C[NH2+]C2)C1 ZINC000098061659 487720111 /nfs/dbraw/zinc/72/01/11/487720111.db2.gz WUUKXHXAZGHTFT-SNVBAGLBSA-N 2 1 241.335 -0.567 20 0 BBADMP C[N@H+]1CCC[C@@H](NC(=O)COC2(C)C[NH2+]C2)C1 ZINC000098061707 487720028 /nfs/dbraw/zinc/72/00/28/487720028.db2.gz ZOULXGCOXFUOKF-SNVBAGLBSA-N 2 1 241.335 -0.425 20 0 BBADMP C[N@H+]1CCC[C@H](NC(=O)COC2(C)C[NH2+]C2)C1 ZINC000098061708 487720127 /nfs/dbraw/zinc/72/01/27/487720127.db2.gz ZOULXGCOXFUOKF-JTQLQIEISA-N 2 1 241.335 -0.425 20 0 BBADMP C[N@@H+](CCNC(=O)COC1(C)C[NH2+]C1)C1CC1 ZINC000098061719 487720788 /nfs/dbraw/zinc/72/07/88/487720788.db2.gz XGCCFXPRGGPORC-UHFFFAOYSA-N 2 1 241.335 -0.425 20 0 BBADMP CC(C)[N@@H+](C)CCNC(=O)COC1(C)C[NH2+]C1 ZINC000098061742 487720282 /nfs/dbraw/zinc/72/02/82/487720282.db2.gz GGBQMGVCOBJWAH-UHFFFAOYSA-N 2 1 243.351 -0.179 20 0 BBADMP C[N@H+]1CCCN(C(=O)COC2(C)C[NH2+]C2)CC1 ZINC000098061814 487720739 /nfs/dbraw/zinc/72/07/39/487720739.db2.gz XUVZEWNFNXTUBU-UHFFFAOYSA-N 2 1 241.335 -0.471 20 0 BBADMP CC[N@@H+](C)CCNC(=O)COC1CC[NH2+]CC1 ZINC000104381986 388582428 /nfs/dbraw/zinc/58/24/28/388582428.db2.gz AXVAGKNKUGXZPR-UHFFFAOYSA-N 2 1 243.351 -0.177 20 0 BBADMP OC[C@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000107154417 635367465 /nfs/dbraw/zinc/36/74/65/635367465.db2.gz XGURKSJCHGWYCN-LLVKDONJSA-N 2 1 213.325 -0.652 20 0 BBADMP OC[C@@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000107154420 635369681 /nfs/dbraw/zinc/36/96/81/635369681.db2.gz XGURKSJCHGWYCN-NSHDSACASA-N 2 1 213.325 -0.652 20 0 BBADMP O=C1CCC(=O)N1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107579779 387032436 /nfs/dbraw/zinc/03/24/36/387032436.db2.gz SFCAARCRNNFKEV-AOOOYVTPSA-N 2 1 237.303 -0.713 20 0 BBADMP O=C1CCC(=O)N1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107579779 387032430 /nfs/dbraw/zinc/03/24/30/387032430.db2.gz SFCAARCRNNFKEV-AOOOYVTPSA-N 2 1 237.303 -0.713 20 0 BBADMP O=C1CCC(=O)N1CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107579785 369354064 /nfs/dbraw/zinc/35/40/64/369354064.db2.gz SFCAARCRNNFKEV-NXEZZACHSA-N 2 1 237.303 -0.713 20 0 BBADMP O=C1CCC(=O)N1CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107579791 369354071 /nfs/dbraw/zinc/35/40/71/369354071.db2.gz SFCAARCRNNFKEV-UWVGGRQHSA-N 2 1 237.303 -0.713 20 0 BBADMP O=C1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCCN1 ZINC000108325565 592705355 /nfs/dbraw/zinc/70/53/55/592705355.db2.gz STIPWWUTKKUYJL-JTQLQIEISA-N 2 1 211.309 -0.192 20 0 BBADMP O=C1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCCN1 ZINC000108325567 592705117 /nfs/dbraw/zinc/70/51/17/592705117.db2.gz STIPWWUTKKUYJL-SNVBAGLBSA-N 2 1 211.309 -0.192 20 0 BBADMP CN1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)CC1=O ZINC000108325570 173083239 /nfs/dbraw/zinc/08/32/39/173083239.db2.gz ARFWOHGNJLPBOG-JTQLQIEISA-N 2 1 211.309 -0.240 20 0 BBADMP CN1CC[N@H+](CC[C@@H]2CC[NH2+]C2)CC1=O ZINC000108325570 173083235 /nfs/dbraw/zinc/08/32/35/173083235.db2.gz ARFWOHGNJLPBOG-JTQLQIEISA-N 2 1 211.309 -0.240 20 0 BBADMP CN1CC[N@@H+](CC[C@H]2CC[NH2+]C2)CC1=O ZINC000108325572 173083340 /nfs/dbraw/zinc/08/33/40/173083340.db2.gz ARFWOHGNJLPBOG-SNVBAGLBSA-N 2 1 211.309 -0.240 20 0 BBADMP CN1CC[N@H+](CC[C@H]2CC[NH2+]C2)CC1=O ZINC000108325572 173083338 /nfs/dbraw/zinc/08/33/38/173083338.db2.gz ARFWOHGNJLPBOG-SNVBAGLBSA-N 2 1 211.309 -0.240 20 0 BBADMP C[NH2+]CC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000108325578 173326022 /nfs/dbraw/zinc/32/60/22/173326022.db2.gz ZOBVRSQQQVABME-UHFFFAOYSA-N 2 1 211.309 -0.098 20 0 BBADMP C[C@H]1C(=O)NCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000108355996 409650385 /nfs/dbraw/zinc/65/03/85/409650385.db2.gz WXNGXSPWYHSPIM-VHSXEESVSA-N 2 1 211.309 -0.194 20 0 BBADMP C[C@H]1C(=O)NCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000108355996 409650382 /nfs/dbraw/zinc/65/03/82/409650382.db2.gz WXNGXSPWYHSPIM-VHSXEESVSA-N 2 1 211.309 -0.194 20 0 BBADMP CN1CC[N@@H+](C[C@@H]2CC[NH2+]C2)CCC1=O ZINC000108356350 487920799 /nfs/dbraw/zinc/92/07/99/487920799.db2.gz NUWBYDAWLVPPMN-SNVBAGLBSA-N 2 1 211.309 -0.240 20 0 BBADMP CN1CC[N@H+](C[C@@H]2CC[NH2+]C2)CCC1=O ZINC000108356350 487920797 /nfs/dbraw/zinc/92/07/97/487920797.db2.gz NUWBYDAWLVPPMN-SNVBAGLBSA-N 2 1 211.309 -0.240 20 0 BBADMP CN1CC[N@@H+](C[C@H]2CC[NH2+]C2)CCC1=O ZINC000108356353 487920753 /nfs/dbraw/zinc/92/07/53/487920753.db2.gz NUWBYDAWLVPPMN-JTQLQIEISA-N 2 1 211.309 -0.240 20 0 BBADMP CN1CC[N@H+](C[C@H]2CC[NH2+]C2)CCC1=O ZINC000108356353 487920749 /nfs/dbraw/zinc/92/07/49/487920749.db2.gz NUWBYDAWLVPPMN-JTQLQIEISA-N 2 1 211.309 -0.240 20 0 BBADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC(=O)N1 ZINC000108356454 384783233 /nfs/dbraw/zinc/78/32/33/384783233.db2.gz QWHQDZAQSGJVDO-SECBINFHSA-N 2 1 211.309 -0.194 20 0 BBADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CC(=O)N1 ZINC000108356458 384785027 /nfs/dbraw/zinc/78/50/27/384785027.db2.gz QWHQDZAQSGJVDO-VIFPVBQESA-N 2 1 211.309 -0.194 20 0 BBADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CC(=O)N1 ZINC000108356529 368572121 /nfs/dbraw/zinc/57/21/21/368572121.db2.gz VVBHPHREDAHBSX-ZJUUUORDSA-N 2 1 211.309 -0.194 20 0 BBADMP C[C@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CC(=O)N1 ZINC000108356530 368571763 /nfs/dbraw/zinc/57/17/63/368571763.db2.gz VVBHPHREDAHBSX-UWVGGRQHSA-N 2 1 211.309 -0.194 20 0 BBADMP CN1CC[N@@H+](CCN2CC[NH2+]CC2)CC1(C)C ZINC000110720537 411118129 /nfs/dbraw/zinc/11/81/29/411118129.db2.gz FCFYWWNLCXATIT-UHFFFAOYSA-N 2 1 240.395 -0.082 20 0 BBADMP CN1CC[N@H+](CCN2CC[NH2+]CC2)CC1(C)C ZINC000110720537 411118127 /nfs/dbraw/zinc/11/81/27/411118127.db2.gz FCFYWWNLCXATIT-UHFFFAOYSA-N 2 1 240.395 -0.082 20 0 BBADMP C[N@H+]1CCN(CCN2CC[NH2+]CC2)CC1(C)C ZINC000110720537 411118125 /nfs/dbraw/zinc/11/81/25/411118125.db2.gz FCFYWWNLCXATIT-UHFFFAOYSA-N 2 1 240.395 -0.082 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000111695759 387084482 /nfs/dbraw/zinc/08/44/82/387084482.db2.gz AEVAMJNPKPFEMZ-XHNCKOQMSA-N 2 1 242.323 -0.371 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000111695759 387084478 /nfs/dbraw/zinc/08/44/78/387084478.db2.gz AEVAMJNPKPFEMZ-XHNCKOQMSA-N 2 1 242.323 -0.371 20 0 BBADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000111695763 387085811 /nfs/dbraw/zinc/08/58/11/387085811.db2.gz AEVAMJNPKPFEMZ-CIUDSAMLSA-N 2 1 242.323 -0.371 20 0 BBADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000111695763 387085808 /nfs/dbraw/zinc/08/58/08/387085808.db2.gz AEVAMJNPKPFEMZ-CIUDSAMLSA-N 2 1 242.323 -0.371 20 0 BBADMP O=c1ccccn1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000112091167 370217208 /nfs/dbraw/zinc/21/72/08/370217208.db2.gz HXVLDEUXGTUCPU-TXEJJXNPSA-N 2 1 233.315 -0.001 20 0 BBADMP O=c1ccccn1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000112091167 370217202 /nfs/dbraw/zinc/21/72/02/370217202.db2.gz HXVLDEUXGTUCPU-TXEJJXNPSA-N 2 1 233.315 -0.001 20 0 BBADMP O=c1ccccn1CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000112091172 370217290 /nfs/dbraw/zinc/21/72/90/370217290.db2.gz HXVLDEUXGTUCPU-VXGBXAGGSA-N 2 1 233.315 -0.001 20 0 BBADMP O=c1ccccn1CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000112091177 370217325 /nfs/dbraw/zinc/21/73/25/370217325.db2.gz HXVLDEUXGTUCPU-RYUDHWBXSA-N 2 1 233.315 -0.001 20 0 BBADMP C[NH+](C)CCCS(=O)(=O)N1CC[NH2+]CC1 ZINC000114924473 411271719 /nfs/dbraw/zinc/27/17/19/411271719.db2.gz VVYUYEFENKOMJF-UHFFFAOYSA-N 2 1 235.353 -0.827 20 0 BBADMP C[N@@H+](CCO)CCCN1CC[NH+](C)CC1 ZINC000119676152 384940235 /nfs/dbraw/zinc/94/02/35/384940235.db2.gz DZRBIQNEGNLTKH-UHFFFAOYSA-N 2 1 215.341 -0.452 20 0 BBADMP Cc1[nH+]ccn1CCC[NH+](CCO)CCO ZINC000120396107 180240177 /nfs/dbraw/zinc/24/01/77/180240177.db2.gz AVWZSSFRSZWHHQ-UHFFFAOYSA-N 2 1 227.308 -0.132 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH2+]C)C1 ZINC000120409067 170004320 /nfs/dbraw/zinc/00/43/20/170004320.db2.gz XNFNDVSJQWNPIV-JTQLQIEISA-N 2 1 229.324 -0.615 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH2+]C)C1 ZINC000120409067 170004318 /nfs/dbraw/zinc/00/43/18/170004318.db2.gz XNFNDVSJQWNPIV-JTQLQIEISA-N 2 1 229.324 -0.615 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+]C)C1 ZINC000120409213 170003465 /nfs/dbraw/zinc/00/34/65/170003465.db2.gz XNFNDVSJQWNPIV-SNVBAGLBSA-N 2 1 229.324 -0.615 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+]C)C1 ZINC000120409213 170003464 /nfs/dbraw/zinc/00/34/64/170003464.db2.gz XNFNDVSJQWNPIV-SNVBAGLBSA-N 2 1 229.324 -0.615 20 0 BBADMP C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000121054709 385463668 /nfs/dbraw/zinc/46/36/68/385463668.db2.gz CEDLQTSIGDHHDF-LPEHRKFASA-N 2 1 202.298 -0.324 20 0 BBADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000121055052 385464554 /nfs/dbraw/zinc/46/45/54/385464554.db2.gz CEDLQTSIGDHHDF-GUBZILKMSA-N 2 1 202.298 -0.324 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]C)C1 ZINC000121418738 170005395 /nfs/dbraw/zinc/00/53/95/170005395.db2.gz JFQCAQYBZBYJLX-JTQLQIEISA-N 2 1 229.324 -0.567 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]C)C1 ZINC000121418738 170005393 /nfs/dbraw/zinc/00/53/93/170005393.db2.gz JFQCAQYBZBYJLX-JTQLQIEISA-N 2 1 229.324 -0.567 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C)C1 ZINC000121418876 170003686 /nfs/dbraw/zinc/00/36/86/170003686.db2.gz JFQCAQYBZBYJLX-SNVBAGLBSA-N 2 1 229.324 -0.567 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C)C1 ZINC000121418876 170003684 /nfs/dbraw/zinc/00/36/84/170003684.db2.gz JFQCAQYBZBYJLX-SNVBAGLBSA-N 2 1 229.324 -0.567 20 0 BBADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000122301595 386742943 /nfs/dbraw/zinc/74/29/43/386742943.db2.gz NPIUCJKFVDHQGC-GJMOJQLCSA-N 2 1 228.296 -0.761 20 0 BBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000122301595 386742934 /nfs/dbraw/zinc/74/29/34/386742934.db2.gz NPIUCJKFVDHQGC-GJMOJQLCSA-N 2 1 228.296 -0.761 20 0 BBADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000122301935 386742001 /nfs/dbraw/zinc/74/20/01/386742001.db2.gz NPIUCJKFVDHQGC-CSMHCCOUSA-N 2 1 228.296 -0.761 20 0 BBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000122301935 386741992 /nfs/dbraw/zinc/74/19/92/386741992.db2.gz NPIUCJKFVDHQGC-CSMHCCOUSA-N 2 1 228.296 -0.761 20 0 BBADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCN1CCOCC1 ZINC000122323196 386742706 /nfs/dbraw/zinc/74/27/06/386742706.db2.gz IBGWZQXXVJZWPW-VXGBXAGGSA-N 2 1 227.352 -0.012 20 0 BBADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCN1CCOCC1 ZINC000122323434 177361707 /nfs/dbraw/zinc/36/17/07/177361707.db2.gz IBGWZQXXVJZWPW-NWDGAFQWSA-N 2 1 227.352 -0.012 20 0 BBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCN1CCOCC1 ZINC000122323576 176367875 /nfs/dbraw/zinc/36/78/75/176367875.db2.gz IBGWZQXXVJZWPW-NEPJUHHUSA-N 2 1 227.352 -0.012 20 0 BBADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCN1CCOCC1 ZINC000122323844 177324277 /nfs/dbraw/zinc/32/42/77/177324277.db2.gz IBGWZQXXVJZWPW-RYUDHWBXSA-N 2 1 227.352 -0.012 20 0 BBADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)NC(N)=O ZINC000122343979 386742213 /nfs/dbraw/zinc/74/22/13/386742213.db2.gz WIVIKIVWAHUGHA-HTQZYQBOSA-N 2 1 228.296 -0.760 20 0 BBADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)NC(N)=O ZINC000122344176 177360995 /nfs/dbraw/zinc/36/09/95/177360995.db2.gz WIVIKIVWAHUGHA-JGVFFNPUSA-N 2 1 228.296 -0.760 20 0 BBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)NC(N)=O ZINC000122344374 176367569 /nfs/dbraw/zinc/36/75/69/176367569.db2.gz WIVIKIVWAHUGHA-SFYZADRCSA-N 2 1 228.296 -0.760 20 0 BBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000122345286 173286895 /nfs/dbraw/zinc/28/68/95/173286895.db2.gz MHKQPGTZXHVSLH-HTQZYQBOSA-N 2 1 228.296 -0.889 20 0 BBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000122345286 173286894 /nfs/dbraw/zinc/28/68/94/173286894.db2.gz MHKQPGTZXHVSLH-HTQZYQBOSA-N 2 1 228.296 -0.889 20 0 BBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122345486 173287213 /nfs/dbraw/zinc/28/72/13/173287213.db2.gz MHKQPGTZXHVSLH-JGVFFNPUSA-N 2 1 228.296 -0.889 20 0 BBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122345486 173287212 /nfs/dbraw/zinc/28/72/12/173287212.db2.gz MHKQPGTZXHVSLH-JGVFFNPUSA-N 2 1 228.296 -0.889 20 0 BBADMP CNC(=O)NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000122345694 173286742 /nfs/dbraw/zinc/28/67/42/173286742.db2.gz MHKQPGTZXHVSLH-SFYZADRCSA-N 2 1 228.296 -0.889 20 0 BBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000122345694 173286741 /nfs/dbraw/zinc/28/67/41/173286741.db2.gz MHKQPGTZXHVSLH-SFYZADRCSA-N 2 1 228.296 -0.889 20 0 BBADMP CNC(=O)NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122345885 173287114 /nfs/dbraw/zinc/28/71/14/173287114.db2.gz MHKQPGTZXHVSLH-YUMQZZPRSA-N 2 1 228.296 -0.889 20 0 BBADMP CNC(=O)NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122345885 173287113 /nfs/dbraw/zinc/28/71/13/173287113.db2.gz MHKQPGTZXHVSLH-YUMQZZPRSA-N 2 1 228.296 -0.889 20 0 BBADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NC1CC1 ZINC000122370131 385915227 /nfs/dbraw/zinc/91/52/27/385915227.db2.gz WRMFIOBIVKIBNF-RKDXNWHRSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NC1CC1 ZINC000122370131 385915225 /nfs/dbraw/zinc/91/52/25/385915225.db2.gz WRMFIOBIVKIBNF-RKDXNWHRSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NC1CC1 ZINC000122370392 177361868 /nfs/dbraw/zinc/36/18/68/177361868.db2.gz WRMFIOBIVKIBNF-DTWKUNHWSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NC1CC1 ZINC000122370392 177361867 /nfs/dbraw/zinc/36/18/67/177361867.db2.gz WRMFIOBIVKIBNF-DTWKUNHWSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NC1CC1 ZINC000122370606 176367792 /nfs/dbraw/zinc/36/77/92/176367792.db2.gz WRMFIOBIVKIBNF-BDAKNGLRSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NC1CC1 ZINC000122370606 176367790 /nfs/dbraw/zinc/36/77/90/176367790.db2.gz WRMFIOBIVKIBNF-BDAKNGLRSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NC1CC1 ZINC000122370834 177324080 /nfs/dbraw/zinc/32/40/80/177324080.db2.gz WRMFIOBIVKIBNF-IUCAKERBSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NC1CC1 ZINC000122370834 177324078 /nfs/dbraw/zinc/32/40/78/177324078.db2.gz WRMFIOBIVKIBNF-IUCAKERBSA-N 2 1 211.309 -0.066 20 0 BBADMP CC[C@@H]1C[N@@H+](CCC(=O)NC(N)=O)CC[C@@H]1[NH3+] ZINC000122743220 363543256 /nfs/dbraw/zinc/54/32/56/363543256.db2.gz DYYDBJXNTOVFCG-BDAKNGLRSA-N 2 1 242.323 -0.369 20 0 BBADMP CC[C@H]1C[N@@H+](CCC(=O)NC(N)=O)CC[C@@H]1[NH3+] ZINC000122743363 363542891 /nfs/dbraw/zinc/54/28/91/363542891.db2.gz DYYDBJXNTOVFCG-IUCAKERBSA-N 2 1 242.323 -0.369 20 0 BBADMP C[N@@H+](CCC[NH3+])CCn1nc2ccccn2c1=O ZINC000123302867 411442273 /nfs/dbraw/zinc/44/22/73/411442273.db2.gz SCUWRQUBJFRUTD-UHFFFAOYSA-N 2 1 249.318 -0.223 20 0 BBADMP C[N@H+](CCC[NH3+])CCn1nc2ccccn2c1=O ZINC000123302867 411442269 /nfs/dbraw/zinc/44/22/69/411442269.db2.gz SCUWRQUBJFRUTD-UHFFFAOYSA-N 2 1 249.318 -0.223 20 0 BBADMP C[N@@H+](CCC[NH3+])CCN1C(=O)NC(C)(C)C1=O ZINC000123312248 411441989 /nfs/dbraw/zinc/44/19/89/411441989.db2.gz RUCHDRFNVGIHKX-UHFFFAOYSA-N 2 1 242.323 -0.403 20 0 BBADMP C[NH+]1CCN(C(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000123473215 589718967 /nfs/dbraw/zinc/71/89/67/589718967.db2.gz PQJJOSYCZJAOQO-JTQLQIEISA-N 2 1 211.309 -0.112 20 0 BBADMP C[NH+]1CCN(C(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000123473434 589720251 /nfs/dbraw/zinc/72/02/51/589720251.db2.gz PQJJOSYCZJAOQO-SNVBAGLBSA-N 2 1 211.309 -0.112 20 0 BBADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC(=O)NC(N)=O ZINC000123654618 187393308 /nfs/dbraw/zinc/39/33/08/187393308.db2.gz DZTVGLIOBGVOGO-SECBINFHSA-N 2 1 244.339 -0.123 20 0 BBADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC(=O)NC(N)=O ZINC000123654827 387590668 /nfs/dbraw/zinc/59/06/68/387590668.db2.gz DZTVGLIOBGVOGO-VIFPVBQESA-N 2 1 244.339 -0.123 20 0 BBADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC000123720822 387591887 /nfs/dbraw/zinc/59/18/87/387591887.db2.gz XHERSGNLVGLFJL-DTWKUNHWSA-N 2 1 244.339 -0.125 20 0 BBADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC000123720822 387591881 /nfs/dbraw/zinc/59/18/81/387591881.db2.gz XHERSGNLVGLFJL-DTWKUNHWSA-N 2 1 244.339 -0.125 20 0 BBADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC000123721004 387591527 /nfs/dbraw/zinc/59/15/27/387591527.db2.gz XHERSGNLVGLFJL-IUCAKERBSA-N 2 1 244.339 -0.125 20 0 BBADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC000123721004 387591526 /nfs/dbraw/zinc/59/15/26/387591526.db2.gz XHERSGNLVGLFJL-IUCAKERBSA-N 2 1 244.339 -0.125 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000124019726 589905198 /nfs/dbraw/zinc/90/51/98/589905198.db2.gz AFHSNWNZLCYVCZ-NSHDSACASA-N 2 1 243.351 -0.192 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000124019938 589905045 /nfs/dbraw/zinc/90/50/45/589905045.db2.gz AFHSNWNZLCYVCZ-LLVKDONJSA-N 2 1 243.351 -0.192 20 0 BBADMP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CSC[NH2+]1 ZINC000124055011 182329494 /nfs/dbraw/zinc/32/94/94/182329494.db2.gz JKKLZDAOXXXLCW-YUMQZZPRSA-N 2 1 215.322 -0.483 20 0 BBADMP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1CSC[NH2+]1 ZINC000124055208 386596580 /nfs/dbraw/zinc/59/65/80/386596580.db2.gz JKKLZDAOXXXLCW-JGVFFNPUSA-N 2 1 215.322 -0.483 20 0 BBADMP COCC[N@@H+](CCO)CC1CC[NH2+]CC1 ZINC000124350689 174292683 /nfs/dbraw/zinc/29/26/83/174292683.db2.gz QFZKJPUTPWSZGV-UHFFFAOYSA-N 2 1 216.325 -0.073 20 0 BBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000124500608 343162956 /nfs/dbraw/zinc/16/29/56/343162956.db2.gz LTHAYMDBCLEPGG-RKDXNWHRSA-N 2 1 242.323 -0.356 20 0 BBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000124500812 343162553 /nfs/dbraw/zinc/16/25/53/343162553.db2.gz LTHAYMDBCLEPGG-DTWKUNHWSA-N 2 1 242.323 -0.356 20 0 BBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000124501052 343162855 /nfs/dbraw/zinc/16/28/55/343162855.db2.gz LTHAYMDBCLEPGG-BDAKNGLRSA-N 2 1 242.323 -0.356 20 0 BBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000124501337 343162627 /nfs/dbraw/zinc/16/26/27/343162627.db2.gz LTHAYMDBCLEPGG-IUCAKERBSA-N 2 1 242.323 -0.356 20 0 BBADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCN1C(=O)CCC1=O ZINC000124554352 566269486 /nfs/dbraw/zinc/26/94/86/566269486.db2.gz LUIJQSCPCJMDIY-NXEZZACHSA-N 2 1 239.319 -0.053 20 0 BBADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCN1C(=O)CCC1=O ZINC000124554352 566269476 /nfs/dbraw/zinc/26/94/76/566269476.db2.gz LUIJQSCPCJMDIY-NXEZZACHSA-N 2 1 239.319 -0.053 20 0 BBADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCN1C(=O)CCC1=O ZINC000124554553 343163556 /nfs/dbraw/zinc/16/35/56/343163556.db2.gz LUIJQSCPCJMDIY-VHSXEESVSA-N 2 1 239.319 -0.053 20 0 BBADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCN1C(=O)CCC1=O ZINC000124554553 343163554 /nfs/dbraw/zinc/16/35/54/343163554.db2.gz LUIJQSCPCJMDIY-VHSXEESVSA-N 2 1 239.319 -0.053 20 0 BBADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCN1C(=O)CCC1=O ZINC000124554759 343163230 /nfs/dbraw/zinc/16/32/30/343163230.db2.gz LUIJQSCPCJMDIY-ZJUUUORDSA-N 2 1 239.319 -0.053 20 0 BBADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCN1C(=O)CCC1=O ZINC000124554759 343163228 /nfs/dbraw/zinc/16/32/28/343163228.db2.gz LUIJQSCPCJMDIY-ZJUUUORDSA-N 2 1 239.319 -0.053 20 0 BBADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCN1C(=O)CCC1=O ZINC000124554864 343163506 /nfs/dbraw/zinc/16/35/06/343163506.db2.gz LUIJQSCPCJMDIY-UWVGGRQHSA-N 2 1 239.319 -0.053 20 0 BBADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCN1C(=O)CCC1=O ZINC000124554864 343163504 /nfs/dbraw/zinc/16/35/04/343163504.db2.gz LUIJQSCPCJMDIY-UWVGGRQHSA-N 2 1 239.319 -0.053 20 0 BBADMP C[N@H+]1CCC[C@@H]1CCN1CCO[C@H](C(N)=O)C1 ZINC000125055076 173026561 /nfs/dbraw/zinc/02/65/61/173026561.db2.gz PEWGXDRBOOMHRD-MNOVXSKESA-N 2 1 241.335 -0.343 20 0 BBADMP COCC[N@@H+](CCC[NH3+])CCC(=O)OC ZINC000125295088 590160742 /nfs/dbraw/zinc/16/07/42/590160742.db2.gz SQKOESARZFDGBX-UHFFFAOYSA-N 2 1 218.297 -0.153 20 0 BBADMP COCCCNC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000125525777 634531887 /nfs/dbraw/zinc/53/18/87/634531887.db2.gz OWPWHEIVTRFPIM-NSHDSACASA-N 2 1 243.351 -0.190 20 0 BBADMP COCCCNC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000125526024 634531369 /nfs/dbraw/zinc/53/13/69/634531369.db2.gz OWPWHEIVTRFPIM-LLVKDONJSA-N 2 1 243.351 -0.190 20 0 BBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000125533150 711794379 /nfs/dbraw/zinc/79/43/79/711794379.db2.gz VKSZYORQMAJTPC-IUCAKERBSA-N 2 1 242.323 -0.499 20 0 BBADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000125533334 634533152 /nfs/dbraw/zinc/53/31/52/634533152.db2.gz VKSZYORQMAJTPC-BDAKNGLRSA-N 2 1 242.323 -0.499 20 0 BBADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000125572273 634560902 /nfs/dbraw/zinc/56/09/02/634560902.db2.gz ARPMRGLIGCOPQN-LLVKDONJSA-N 2 1 241.335 -0.484 20 0 BBADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000125572519 634559482 /nfs/dbraw/zinc/55/94/82/634559482.db2.gz ARPMRGLIGCOPQN-NSHDSACASA-N 2 1 241.335 -0.484 20 0 BBADMP OCC[NH+]1CCN(c2cc[nH+]cc2CO)CC1 ZINC000126403309 635812382 /nfs/dbraw/zinc/81/23/82/635812382.db2.gz PFQSPSYJYHXWIF-UHFFFAOYSA-N 2 1 237.303 -0.312 20 0 BBADMP COCCOCCOCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000126536042 711768693 /nfs/dbraw/zinc/76/86/93/711768693.db2.gz BRFGMDZINXGMCO-GFCCVEGCSA-N 2 1 246.351 -0.053 20 0 BBADMP COCCOCCOCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000126536285 711768571 /nfs/dbraw/zinc/76/85/71/711768571.db2.gz BRFGMDZINXGMCO-LBPRGKRZSA-N 2 1 246.351 -0.053 20 0 BBADMP C[N@@H+](CCC(=O)NC(N)=O)[C@@H](C[NH3+])C1CC1 ZINC000126714848 387051413 /nfs/dbraw/zinc/05/14/13/387051413.db2.gz FEMAGEHHAKEJCG-QMMMGPOBSA-N 2 1 228.296 -0.760 20 0 BBADMP C[N@H+](CCC(=O)NC(N)=O)[C@@H](C[NH3+])C1CC1 ZINC000126714848 387051410 /nfs/dbraw/zinc/05/14/10/387051410.db2.gz FEMAGEHHAKEJCG-QMMMGPOBSA-N 2 1 228.296 -0.760 20 0 BBADMP C[N@@H+](CCC(=O)NC(N)=O)[C@@H](CN)C1CC1 ZINC000126714848 387051405 /nfs/dbraw/zinc/05/14/05/387051405.db2.gz FEMAGEHHAKEJCG-QMMMGPOBSA-N 2 1 228.296 -0.760 20 0 BBADMP C[N@H+](CCC(=O)NC(N)=O)[C@@H](CN)C1CC1 ZINC000126714848 387051401 /nfs/dbraw/zinc/05/14/01/387051401.db2.gz FEMAGEHHAKEJCG-QMMMGPOBSA-N 2 1 228.296 -0.760 20 0 BBADMP C[N@@H+](CCC(=O)NC(N)=O)[C@H](C[NH3+])C1CC1 ZINC000126715069 387051752 /nfs/dbraw/zinc/05/17/52/387051752.db2.gz FEMAGEHHAKEJCG-MRVPVSSYSA-N 2 1 228.296 -0.760 20 0 BBADMP C[N@H+](CCC(=O)NC(N)=O)[C@H](C[NH3+])C1CC1 ZINC000126715069 387051751 /nfs/dbraw/zinc/05/17/51/387051751.db2.gz FEMAGEHHAKEJCG-MRVPVSSYSA-N 2 1 228.296 -0.760 20 0 BBADMP C[N@@H+](CCC(=O)NC(N)=O)[C@H](CN)C1CC1 ZINC000126715069 387051749 /nfs/dbraw/zinc/05/17/49/387051749.db2.gz FEMAGEHHAKEJCG-MRVPVSSYSA-N 2 1 228.296 -0.760 20 0 BBADMP C[N@H+](CCC(=O)NC(N)=O)[C@H](CN)C1CC1 ZINC000126715069 387051746 /nfs/dbraw/zinc/05/17/46/387051746.db2.gz FEMAGEHHAKEJCG-MRVPVSSYSA-N 2 1 228.296 -0.760 20 0 BBADMP COC(=O)[C@@H](C)C[N@@H+](C)C[C@@H]1CNCCO1 ZINC000126746714 344084707 /nfs/dbraw/zinc/08/47/07/344084707.db2.gz MMPDDQXISHGQFV-UWVGGRQHSA-N 2 1 230.308 -0.284 20 0 BBADMP COC[C@@H](O)C[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000126803684 636038912 /nfs/dbraw/zinc/03/89/12/636038912.db2.gz PPNFAPPABSRTFF-UWVGGRQHSA-N 2 1 202.298 -0.337 20 0 BBADMP COC[C@@H](O)C[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000126803684 636038909 /nfs/dbraw/zinc/03/89/09/636038909.db2.gz PPNFAPPABSRTFF-UWVGGRQHSA-N 2 1 202.298 -0.337 20 0 BBADMP COC[C@H](O)C[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000126803926 641991929 /nfs/dbraw/zinc/99/19/29/641991929.db2.gz PPNFAPPABSRTFF-ZJUUUORDSA-N 2 1 202.298 -0.337 20 0 BBADMP COC[C@H](O)C[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000126803926 641991911 /nfs/dbraw/zinc/99/19/11/641991911.db2.gz PPNFAPPABSRTFF-ZJUUUORDSA-N 2 1 202.298 -0.337 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000126860867 387698366 /nfs/dbraw/zinc/69/83/66/387698366.db2.gz AMUSVZYOHXRHDW-WDEREUQCSA-N 2 1 216.325 -0.123 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000126861096 387697958 /nfs/dbraw/zinc/69/79/58/387697958.db2.gz AMUSVZYOHXRHDW-GHMZBOCLSA-N 2 1 216.325 -0.123 20 0 BBADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1[C@@H]1CCN(C)C1=O ZINC000126894156 343171628 /nfs/dbraw/zinc/17/16/28/343171628.db2.gz VMCWDWICCAIUSY-OPRDCNLKSA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1[C@@H]1CCN(C)C1=O ZINC000126894632 343171184 /nfs/dbraw/zinc/17/11/84/343171184.db2.gz VMCWDWICCAIUSY-KXUCPTDWSA-N 2 1 211.309 -0.114 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000127162766 170006593 /nfs/dbraw/zinc/00/65/93/170006593.db2.gz PACYLUJJTFAXCO-ZJUUUORDSA-N 2 1 227.308 -0.815 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000127162766 170006591 /nfs/dbraw/zinc/00/65/91/170006591.db2.gz PACYLUJJTFAXCO-ZJUUUORDSA-N 2 1 227.308 -0.815 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000127163036 170003631 /nfs/dbraw/zinc/00/36/31/170003631.db2.gz PACYLUJJTFAXCO-NXEZZACHSA-N 2 1 227.308 -0.815 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000127163036 170003629 /nfs/dbraw/zinc/00/36/29/170003629.db2.gz PACYLUJJTFAXCO-NXEZZACHSA-N 2 1 227.308 -0.815 20 0 BBADMP COCCCNC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000127167422 388717056 /nfs/dbraw/zinc/71/70/56/388717056.db2.gz SRDPKJVZDXDHCC-WDEREUQCSA-N 2 1 243.351 -0.192 20 0 BBADMP COCCCNC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000127167422 388717053 /nfs/dbraw/zinc/71/70/53/388717053.db2.gz SRDPKJVZDXDHCC-WDEREUQCSA-N 2 1 243.351 -0.192 20 0 BBADMP COCCCNC(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000127167649 387708797 /nfs/dbraw/zinc/70/87/97/387708797.db2.gz SRDPKJVZDXDHCC-GHMZBOCLSA-N 2 1 243.351 -0.192 20 0 BBADMP COCCCNC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000127167649 387708792 /nfs/dbraw/zinc/70/87/92/387708792.db2.gz SRDPKJVZDXDHCC-GHMZBOCLSA-N 2 1 243.351 -0.192 20 0 BBADMP COCCCNC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000127167846 388717261 /nfs/dbraw/zinc/71/72/61/388717261.db2.gz SRDPKJVZDXDHCC-QWRGUYRKSA-N 2 1 243.351 -0.192 20 0 BBADMP COCCCNC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000127167846 388717259 /nfs/dbraw/zinc/71/72/59/388717259.db2.gz SRDPKJVZDXDHCC-QWRGUYRKSA-N 2 1 243.351 -0.192 20 0 BBADMP COCCCNC(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000127168012 388717823 /nfs/dbraw/zinc/71/78/23/388717823.db2.gz SRDPKJVZDXDHCC-MNOVXSKESA-N 2 1 243.351 -0.192 20 0 BBADMP COCCCNC(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000127168012 388717822 /nfs/dbraw/zinc/71/78/22/388717822.db2.gz SRDPKJVZDXDHCC-MNOVXSKESA-N 2 1 243.351 -0.192 20 0 BBADMP CC[NH+]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000128855099 353305353 /nfs/dbraw/zinc/30/53/53/353305353.db2.gz SKSICZPSYFQRFZ-LLVKDONJSA-N 2 1 241.335 -0.471 20 0 BBADMP CC[NH+]1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000128855314 353305539 /nfs/dbraw/zinc/30/55/39/353305539.db2.gz SKSICZPSYFQRFZ-NSHDSACASA-N 2 1 241.335 -0.471 20 0 BBADMP C[N@H+]1CCCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000128865074 173012403 /nfs/dbraw/zinc/01/24/03/173012403.db2.gz IZTYQXCRTCMMOW-LLVKDONJSA-N 2 1 241.335 -0.471 20 0 BBADMP C[N@H+]1CCCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000128865315 173012982 /nfs/dbraw/zinc/01/29/82/173012982.db2.gz IZTYQXCRTCMMOW-NSHDSACASA-N 2 1 241.335 -0.471 20 0 BBADMP C[C@H](C(=O)N1CC[NH+](C)CC1)C1C[NH2+]C1 ZINC000129021459 384970184 /nfs/dbraw/zinc/97/01/84/384970184.db2.gz FMXJQJMSZKQCPQ-VIFPVBQESA-N 2 1 211.309 -0.384 20 0 BBADMP C[C@@H](C(=O)N1CC[NH+](C)CC1)C1C[NH2+]C1 ZINC000129021657 384972234 /nfs/dbraw/zinc/97/22/34/384972234.db2.gz FMXJQJMSZKQCPQ-SECBINFHSA-N 2 1 211.309 -0.384 20 0 BBADMP C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000129092114 411221653 /nfs/dbraw/zinc/22/16/53/411221653.db2.gz IUWDUMOEZGEQRC-WDEREUQCSA-N 2 1 241.335 -0.425 20 0 BBADMP C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000129092338 411221584 /nfs/dbraw/zinc/22/15/84/411221584.db2.gz IUWDUMOEZGEQRC-GHMZBOCLSA-N 2 1 241.335 -0.425 20 0 BBADMP CC(C)[N@@H+](C)CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000129197145 386062874 /nfs/dbraw/zinc/06/28/74/386062874.db2.gz LNMLGHPJLPHYAS-LLVKDONJSA-N 2 1 243.351 -0.179 20 0 BBADMP C[N@@H+](CCNC(=O)C[C@@H]1COCC[NH2+]1)C1CC1 ZINC000129212411 386065888 /nfs/dbraw/zinc/06/58/88/386065888.db2.gz BLRBHZRGGLITSC-SNVBAGLBSA-N 2 1 241.335 -0.425 20 0 BBADMP C[N@@H+](CCNC(=O)C[C@H]1COCC[NH2+]1)C1CC1 ZINC000129212641 386065855 /nfs/dbraw/zinc/06/58/55/386065855.db2.gz BLRBHZRGGLITSC-JTQLQIEISA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@@H+](C)CCNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000129218432 384984156 /nfs/dbraw/zinc/98/41/56/384984156.db2.gz DNIFZEZHBHOQQV-VIFPVBQESA-N 2 1 213.325 -0.090 20 0 BBADMP CC[N@@H+](C)CCNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000129218668 384985573 /nfs/dbraw/zinc/98/55/73/384985573.db2.gz DNIFZEZHBHOQQV-SECBINFHSA-N 2 1 213.325 -0.090 20 0 BBADMP CC[C@@H]([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000130421703 344137641 /nfs/dbraw/zinc/13/76/41/344137641.db2.gz RKVOLIIRWBQQBF-GHMZBOCLSA-N 2 1 243.351 -0.192 20 0 BBADMP CC[C@@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000130421962 344137890 /nfs/dbraw/zinc/13/78/90/344137890.db2.gz RKVOLIIRWBQQBF-WDEREUQCSA-N 2 1 243.351 -0.192 20 0 BBADMP CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000130458699 325053842 /nfs/dbraw/zinc/05/38/42/325053842.db2.gz APKJMLFFPSPPDB-WDEREUQCSA-N 2 1 243.351 -0.049 20 0 BBADMP CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000130458916 325053756 /nfs/dbraw/zinc/05/37/56/325053756.db2.gz APKJMLFFPSPPDB-GHMZBOCLSA-N 2 1 243.351 -0.049 20 0 BBADMP CC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)CCCOC ZINC000130552522 344147451 /nfs/dbraw/zinc/14/74/51/344147451.db2.gz RVZRTTGKHQRJPJ-SNVBAGLBSA-N 2 1 231.340 -0.192 20 0 BBADMP COC(=O)[C@](C)(O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000130729720 368137297 /nfs/dbraw/zinc/13/72/97/368137297.db2.gz SXBXJPQKCDKRKD-WCABBAIRSA-N 2 1 228.292 -0.938 20 0 BBADMP COC(=O)[C@](C)(O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000130729720 368137294 /nfs/dbraw/zinc/13/72/94/368137294.db2.gz SXBXJPQKCDKRKD-WCABBAIRSA-N 2 1 228.292 -0.938 20 0 BBADMP COC(=O)[C@@](C)(O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000130729923 368137596 /nfs/dbraw/zinc/13/75/96/368137596.db2.gz SXBXJPQKCDKRKD-NGZCFLSTSA-N 2 1 228.292 -0.938 20 0 BBADMP COC(=O)[C@@](C)(O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000130729923 368137593 /nfs/dbraw/zinc/13/75/93/368137593.db2.gz SXBXJPQKCDKRKD-NGZCFLSTSA-N 2 1 228.292 -0.938 20 0 BBADMP COC(=O)[C@](C)(O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000130730116 345281710 /nfs/dbraw/zinc/28/17/10/345281710.db2.gz SXBXJPQKCDKRKD-FXPVBKGRSA-N 2 1 228.292 -0.938 20 0 BBADMP NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000130941866 343182508 /nfs/dbraw/zinc/18/25/08/343182508.db2.gz FHOKCSCSNPLKDF-XHNCKOQMSA-N 2 1 240.307 -0.760 20 0 BBADMP NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000130941866 343182506 /nfs/dbraw/zinc/18/25/06/343182506.db2.gz FHOKCSCSNPLKDF-XHNCKOQMSA-N 2 1 240.307 -0.760 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)C)C1 ZINC000131099555 358659989 /nfs/dbraw/zinc/65/99/89/358659989.db2.gz PWHJFHHQVLIHIU-JTQLQIEISA-N 2 1 229.324 -0.615 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)C)C1 ZINC000131099555 358659988 /nfs/dbraw/zinc/65/99/88/358659988.db2.gz PWHJFHHQVLIHIU-JTQLQIEISA-N 2 1 229.324 -0.615 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)C)C1 ZINC000131099822 358659644 /nfs/dbraw/zinc/65/96/44/358659644.db2.gz PWHJFHHQVLIHIU-SNVBAGLBSA-N 2 1 229.324 -0.615 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)C)C1 ZINC000131099822 358659643 /nfs/dbraw/zinc/65/96/43/358659643.db2.gz PWHJFHHQVLIHIU-SNVBAGLBSA-N 2 1 229.324 -0.615 20 0 BBADMP C[NH+](C)C[C@H](O)C[NH2+]CC1(O)CCC1 ZINC000131184393 343182982 /nfs/dbraw/zinc/18/29/82/343182982.db2.gz PWNBYSSAKJAWCD-SECBINFHSA-N 2 1 202.298 -0.587 20 0 BBADMP C[NH+](C)C[C@@H](O)C[NH2+]CC1(O)CCC1 ZINC000131184615 343183017 /nfs/dbraw/zinc/18/30/17/343183017.db2.gz PWNBYSSAKJAWCD-VIFPVBQESA-N 2 1 202.298 -0.587 20 0 BBADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCN1C(=O)CCC1=O ZINC000131508627 386209167 /nfs/dbraw/zinc/20/91/67/386209167.db2.gz RYIFWFRHIBHJPT-NXEZZACHSA-N 2 1 239.319 -0.196 20 0 BBADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCN1C(=O)CCC1=O ZINC000131508815 177361990 /nfs/dbraw/zinc/36/19/90/177361990.db2.gz RYIFWFRHIBHJPT-VHSXEESVSA-N 2 1 239.319 -0.196 20 0 BBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCN1C(=O)CCC1=O ZINC000131509037 176368044 /nfs/dbraw/zinc/36/80/44/176368044.db2.gz RYIFWFRHIBHJPT-ZJUUUORDSA-N 2 1 239.319 -0.196 20 0 BBADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCN1C(=O)CCC1=O ZINC000131509251 177325097 /nfs/dbraw/zinc/32/50/97/177325097.db2.gz RYIFWFRHIBHJPT-UWVGGRQHSA-N 2 1 239.319 -0.196 20 0 BBADMP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000131529055 371615569 /nfs/dbraw/zinc/61/55/69/371615569.db2.gz UMPONNFYEFBAEC-RQJHMYQMSA-N 2 1 201.295 -0.792 20 0 BBADMP [NH3+][C@@H]1CCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000131529294 371615727 /nfs/dbraw/zinc/61/57/27/371615727.db2.gz UMPONNFYEFBAEC-RNFRBKRXSA-N 2 1 201.295 -0.792 20 0 BBADMP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000131533702 358976537 /nfs/dbraw/zinc/97/65/37/358976537.db2.gz URIAWGDHMFVRES-SFYZADRCSA-N 2 1 215.322 -0.531 20 0 BBADMP C[NH2+][C@H]1CCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000131533880 371619690 /nfs/dbraw/zinc/61/96/90/371619690.db2.gz URIAWGDHMFVRES-YUMQZZPRSA-N 2 1 215.322 -0.531 20 0 BBADMP C[NH2+][C@@H]1CCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000131534076 371619622 /nfs/dbraw/zinc/61/96/22/371619622.db2.gz URIAWGDHMFVRES-HTQZYQBOSA-N 2 1 215.322 -0.531 20 0 BBADMP C[NH2+][C@H]1CCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000131534282 134631115 /nfs/dbraw/zinc/63/11/15/134631115.db2.gz URIAWGDHMFVRES-JGVFFNPUSA-N 2 1 215.322 -0.531 20 0 BBADMP CNC(=O)NC(=O)CC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000131574464 173286366 /nfs/dbraw/zinc/28/63/66/173286366.db2.gz ZWRGRTBBVBMDLL-RKDXNWHRSA-N 2 1 242.323 -0.499 20 0 BBADMP CNC(=O)NC(=O)CC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000131574655 173286514 /nfs/dbraw/zinc/28/65/14/173286514.db2.gz ZWRGRTBBVBMDLL-DTWKUNHWSA-N 2 1 242.323 -0.499 20 0 BBADMP CNC(=O)NC(=O)CC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000131574879 173286256 /nfs/dbraw/zinc/28/62/56/173286256.db2.gz ZWRGRTBBVBMDLL-BDAKNGLRSA-N 2 1 242.323 -0.499 20 0 BBADMP CNC(=O)NC(=O)CC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131575085 173286627 /nfs/dbraw/zinc/28/66/27/173286627.db2.gz ZWRGRTBBVBMDLL-IUCAKERBSA-N 2 1 242.323 -0.499 20 0 BBADMP [NH3+]CC1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000131589725 371628552 /nfs/dbraw/zinc/62/85/52/371628552.db2.gz JDBFLEXHUFJIGD-VIFPVBQESA-N 2 1 229.349 -0.154 20 0 BBADMP [NH3+]CC1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000131589937 371628988 /nfs/dbraw/zinc/62/89/88/371628988.db2.gz JDBFLEXHUFJIGD-SECBINFHSA-N 2 1 229.349 -0.154 20 0 BBADMP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CSC[NH2+]1 ZINC000131594417 385347575 /nfs/dbraw/zinc/34/75/75/385347575.db2.gz JKKLZDAOXXXLCW-SFYZADRCSA-N 2 1 215.322 -0.483 20 0 BBADMP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CSC[NH2+]1 ZINC000131594620 358684748 /nfs/dbraw/zinc/68/47/48/358684748.db2.gz JKKLZDAOXXXLCW-HTQZYQBOSA-N 2 1 215.322 -0.483 20 0 BBADMP O=C(NCC1CC[NH2+]CC1)[C@@H]1CSC[NH2+]1 ZINC000131601740 344311454 /nfs/dbraw/zinc/31/14/54/344311454.db2.gz AFRDZUNQTCOLDO-VIFPVBQESA-N 2 1 229.349 -0.235 20 0 BBADMP O=C(NCC1CC[NH2+]CC1)[C@H]1CSC[NH2+]1 ZINC000131601916 344311395 /nfs/dbraw/zinc/31/13/95/344311395.db2.gz AFRDZUNQTCOLDO-SECBINFHSA-N 2 1 229.349 -0.235 20 0 BBADMP CCNC(=O)NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131612110 170076745 /nfs/dbraw/zinc/07/67/45/170076745.db2.gz YSWWPPOXYBTZOG-IUCAKERBSA-N 2 1 242.323 -0.499 20 0 BBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131612110 170076744 /nfs/dbraw/zinc/07/67/44/170076744.db2.gz YSWWPPOXYBTZOG-IUCAKERBSA-N 2 1 242.323 -0.499 20 0 BBADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000131612313 170076680 /nfs/dbraw/zinc/07/66/80/170076680.db2.gz YSWWPPOXYBTZOG-DTWKUNHWSA-N 2 1 242.323 -0.499 20 0 BBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000131612313 170076679 /nfs/dbraw/zinc/07/66/79/170076679.db2.gz YSWWPPOXYBTZOG-DTWKUNHWSA-N 2 1 242.323 -0.499 20 0 BBADMP C[NH2+]CCCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000131619435 411575625 /nfs/dbraw/zinc/57/56/25/411575625.db2.gz PLVJQTNMFDGPHM-ZETCQYMHSA-N 2 1 203.311 -0.625 20 0 BBADMP C[NH2+]CCCNC(=O)[C@H]1CSC[NH2+]1 ZINC000131619684 344315722 /nfs/dbraw/zinc/31/57/22/344315722.db2.gz PLVJQTNMFDGPHM-SSDOTTSWSA-N 2 1 203.311 -0.625 20 0 BBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000131648238 173288234 /nfs/dbraw/zinc/28/82/34/173288234.db2.gz GGGHTSAQPDFYSG-HRDYMLBCSA-N 2 1 242.323 -0.500 20 0 BBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000131648238 173288233 /nfs/dbraw/zinc/28/82/33/173288233.db2.gz GGGHTSAQPDFYSG-HRDYMLBCSA-N 2 1 242.323 -0.500 20 0 BBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000131648467 173288431 /nfs/dbraw/zinc/28/84/31/173288431.db2.gz GGGHTSAQPDFYSG-XHNCKOQMSA-N 2 1 242.323 -0.500 20 0 BBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000131648467 173288430 /nfs/dbraw/zinc/28/84/30/173288430.db2.gz GGGHTSAQPDFYSG-XHNCKOQMSA-N 2 1 242.323 -0.500 20 0 BBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000131648689 173288846 /nfs/dbraw/zinc/28/88/46/173288846.db2.gz GGGHTSAQPDFYSG-VGMNWLOBSA-N 2 1 242.323 -0.500 20 0 BBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000131648689 173288845 /nfs/dbraw/zinc/28/88/45/173288845.db2.gz GGGHTSAQPDFYSG-VGMNWLOBSA-N 2 1 242.323 -0.500 20 0 BBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131648911 173288823 /nfs/dbraw/zinc/28/88/23/173288823.db2.gz GGGHTSAQPDFYSG-CIUDSAMLSA-N 2 1 242.323 -0.500 20 0 BBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131648911 173288822 /nfs/dbraw/zinc/28/88/22/173288822.db2.gz GGGHTSAQPDFYSG-CIUDSAMLSA-N 2 1 242.323 -0.500 20 0 BBADMP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1CSC[NH2+]1 ZINC000131666802 134632568 /nfs/dbraw/zinc/63/25/68/134632568.db2.gz LLRHJOHRDDAHEF-RQJHMYQMSA-N 2 1 201.295 -0.873 20 0 BBADMP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1CSC[NH2+]1 ZINC000131667011 371646501 /nfs/dbraw/zinc/64/65/01/371646501.db2.gz LLRHJOHRDDAHEF-BQBZGAKWSA-N 2 1 201.295 -0.873 20 0 BBADMP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1CSC[NH2+]1 ZINC000131667175 134632601 /nfs/dbraw/zinc/63/26/01/134632601.db2.gz LLRHJOHRDDAHEF-RNFRBKRXSA-N 2 1 201.295 -0.873 20 0 BBADMP O=C(N[C@H]1CC[NH2+]C1)[C@H]1CSC[NH2+]1 ZINC000131667415 371647331 /nfs/dbraw/zinc/64/73/31/371647331.db2.gz LLRHJOHRDDAHEF-NKWVEPMBSA-N 2 1 201.295 -0.873 20 0 BBADMP O=C(NC[C@H]1CCC[NH2+]C1)[C@@H]1CSC[NH2+]1 ZINC000131702212 383837346 /nfs/dbraw/zinc/83/73/46/383837346.db2.gz FSKZPQYEVJHKFX-IUCAKERBSA-N 2 1 229.349 -0.235 20 0 BBADMP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1CSC[NH2+]1 ZINC000131702402 344233567 /nfs/dbraw/zinc/23/35/67/344233567.db2.gz FSKZPQYEVJHKFX-BDAKNGLRSA-N 2 1 229.349 -0.235 20 0 BBADMP O=C(NC[C@H]1CCC[NH2+]C1)[C@H]1CSC[NH2+]1 ZINC000131702622 383835760 /nfs/dbraw/zinc/83/57/60/383835760.db2.gz FSKZPQYEVJHKFX-DTWKUNHWSA-N 2 1 229.349 -0.235 20 0 BBADMP O=C(NC[C@@H]1CCC[NH2+]C1)[C@H]1CSC[NH2+]1 ZINC000131702831 344233692 /nfs/dbraw/zinc/23/36/92/344233692.db2.gz FSKZPQYEVJHKFX-RKDXNWHRSA-N 2 1 229.349 -0.235 20 0 BBADMP [NH3+]C[C@H]1CCCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000131709255 388350294 /nfs/dbraw/zinc/35/02/94/388350294.db2.gz YWBRCFKQVADFDG-BDAKNGLRSA-N 2 1 229.349 -0.154 20 0 BBADMP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000131709482 371656991 /nfs/dbraw/zinc/65/69/91/371656991.db2.gz YWBRCFKQVADFDG-IUCAKERBSA-N 2 1 229.349 -0.154 20 0 BBADMP [NH3+]C[C@H]1CCCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000131709696 371658713 /nfs/dbraw/zinc/65/87/13/371658713.db2.gz YWBRCFKQVADFDG-RKDXNWHRSA-N 2 1 229.349 -0.154 20 0 BBADMP [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000131709920 344233660 /nfs/dbraw/zinc/23/36/60/344233660.db2.gz YWBRCFKQVADFDG-DTWKUNHWSA-N 2 1 229.349 -0.154 20 0 BBADMP O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1CSC[NH2+]1 ZINC000131715325 490654974 /nfs/dbraw/zinc/65/49/74/490654974.db2.gz AUTZQZIWRCHHCU-IUCAKERBSA-N 2 1 229.349 -0.093 20 0 BBADMP O=C(NC[C@H]1CCCC[NH2+]1)[C@@H]1CSC[NH2+]1 ZINC000131715535 490655299 /nfs/dbraw/zinc/65/52/99/490655299.db2.gz AUTZQZIWRCHHCU-BDAKNGLRSA-N 2 1 229.349 -0.093 20 0 BBADMP O=C(NC[C@@H]1CCCC[NH2+]1)[C@H]1CSC[NH2+]1 ZINC000131715765 490655267 /nfs/dbraw/zinc/65/52/67/490655267.db2.gz AUTZQZIWRCHHCU-DTWKUNHWSA-N 2 1 229.349 -0.093 20 0 BBADMP O=C(NC[C@H]1CCCC[NH2+]1)[C@H]1CSC[NH2+]1 ZINC000131715964 491126959 /nfs/dbraw/zinc/12/69/59/491126959.db2.gz AUTZQZIWRCHHCU-RKDXNWHRSA-N 2 1 229.349 -0.093 20 0 BBADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCOCC1 ZINC000131751877 386215125 /nfs/dbraw/zinc/21/51/25/386215125.db2.gz HCPHYPMRLQFUOE-GHMZBOCLSA-N 2 1 241.335 -0.486 20 0 BBADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCOCC1 ZINC000131751877 386215120 /nfs/dbraw/zinc/21/51/20/386215120.db2.gz HCPHYPMRLQFUOE-GHMZBOCLSA-N 2 1 241.335 -0.486 20 0 BBADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCOCC1 ZINC000131752085 177361607 /nfs/dbraw/zinc/36/16/07/177361607.db2.gz HCPHYPMRLQFUOE-WDEREUQCSA-N 2 1 241.335 -0.486 20 0 BBADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCOCC1 ZINC000131752085 177361605 /nfs/dbraw/zinc/36/16/05/177361605.db2.gz HCPHYPMRLQFUOE-WDEREUQCSA-N 2 1 241.335 -0.486 20 0 BBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCOCC1 ZINC000131752301 176367624 /nfs/dbraw/zinc/36/76/24/176367624.db2.gz HCPHYPMRLQFUOE-MNOVXSKESA-N 2 1 241.335 -0.486 20 0 BBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCOCC1 ZINC000131752301 176367622 /nfs/dbraw/zinc/36/76/22/176367622.db2.gz HCPHYPMRLQFUOE-MNOVXSKESA-N 2 1 241.335 -0.486 20 0 BBADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCOCC1 ZINC000131752505 177323881 /nfs/dbraw/zinc/32/38/81/177323881.db2.gz HCPHYPMRLQFUOE-QWRGUYRKSA-N 2 1 241.335 -0.486 20 0 BBADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCOCC1 ZINC000131752505 177323879 /nfs/dbraw/zinc/32/38/79/177323879.db2.gz HCPHYPMRLQFUOE-QWRGUYRKSA-N 2 1 241.335 -0.486 20 0 BBADMP [NH3+][C@H]1CCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000131757669 371667938 /nfs/dbraw/zinc/66/79/38/371667938.db2.gz UMPONNFYEFBAEC-BQBZGAKWSA-N 2 1 201.295 -0.792 20 0 BBADMP [NH3+][C@H]1CCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000131757853 358692814 /nfs/dbraw/zinc/69/28/14/358692814.db2.gz UMPONNFYEFBAEC-NKWVEPMBSA-N 2 1 201.295 -0.792 20 0 BBADMP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000131766101 344235069 /nfs/dbraw/zinc/23/50/69/344235069.db2.gz NNJXMJQOZRGTGT-RKDXNWHRSA-N 2 1 229.349 -0.141 20 0 BBADMP C[NH2+][C@H]1CCCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000131766301 536410427 /nfs/dbraw/zinc/41/04/27/536410427.db2.gz NNJXMJQOZRGTGT-DTWKUNHWSA-N 2 1 229.349 -0.141 20 0 BBADMP CC[NH2+]CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000131796621 410089480 /nfs/dbraw/zinc/08/94/80/410089480.db2.gz BYKOTDZCKPOQQZ-ZETCQYMHSA-N 2 1 203.311 -0.625 20 0 BBADMP CC[NH2+]CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000131796853 344334105 /nfs/dbraw/zinc/33/41/05/344334105.db2.gz BYKOTDZCKPOQQZ-SSDOTTSWSA-N 2 1 203.311 -0.625 20 0 BBADMP O=C(NCC[NH2+]C1CC1)[C@@H]1CSC[NH2+]1 ZINC000131804636 487617182 /nfs/dbraw/zinc/61/71/82/487617182.db2.gz PNLARKKLEQKRAI-QMMMGPOBSA-N 2 1 215.322 -0.483 20 0 BBADMP O=C(NCC[NH2+]C1CC1)[C@H]1CSC[NH2+]1 ZINC000131804847 487617630 /nfs/dbraw/zinc/61/76/30/487617630.db2.gz PNLARKKLEQKRAI-MRVPVSSYSA-N 2 1 215.322 -0.483 20 0 BBADMP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000131866416 325188613 /nfs/dbraw/zinc/18/86/13/325188613.db2.gz KUDLSJXUSDXNLU-YUMQZZPRSA-N 2 1 217.338 -0.379 20 0 BBADMP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000131866621 325188202 /nfs/dbraw/zinc/18/82/02/325188202.db2.gz KUDLSJXUSDXNLU-SFYZADRCSA-N 2 1 217.338 -0.379 20 0 BBADMP C[NH2+]C[C@H](C)CNC(=O)[C@H]1CSC[NH2+]1 ZINC000131866788 325188323 /nfs/dbraw/zinc/18/83/23/325188323.db2.gz KUDLSJXUSDXNLU-JGVFFNPUSA-N 2 1 217.338 -0.379 20 0 BBADMP C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CSC[NH2+]1 ZINC000131866981 325188576 /nfs/dbraw/zinc/18/85/76/325188576.db2.gz KUDLSJXUSDXNLU-HTQZYQBOSA-N 2 1 217.338 -0.379 20 0 BBADMP C[C@@H]1CN(C(=O)[C@@H]2CSC[NH2+]2)CC[NH2+]1 ZINC000131878633 176255287 /nfs/dbraw/zinc/25/52/87/176255287.db2.gz SVVIOFKTZHVSPF-SFYZADRCSA-N 2 1 215.322 -0.531 20 0 BBADMP C[C@H]1CN(C(=O)[C@@H]2CSC[NH2+]2)CC[NH2+]1 ZINC000131878789 177222779 /nfs/dbraw/zinc/22/27/79/177222779.db2.gz SVVIOFKTZHVSPF-YUMQZZPRSA-N 2 1 215.322 -0.531 20 0 BBADMP C[C@@H]1CN(C(=O)[C@H]2CSC[NH2+]2)CC[NH2+]1 ZINC000131879025 176259140 /nfs/dbraw/zinc/25/91/40/176259140.db2.gz SVVIOFKTZHVSPF-HTQZYQBOSA-N 2 1 215.322 -0.531 20 0 BBADMP C[C@H]1CN(C(=O)[C@H]2CSC[NH2+]2)CC[NH2+]1 ZINC000131879234 177224683 /nfs/dbraw/zinc/22/46/83/177224683.db2.gz SVVIOFKTZHVSPF-JGVFFNPUSA-N 2 1 215.322 -0.531 20 0 BBADMP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000131914551 342804910 /nfs/dbraw/zinc/80/49/10/342804910.db2.gz ZGYKCZHMCMTUKP-SFYZADRCSA-N 2 1 217.338 -0.252 20 0 BBADMP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000131914760 342804972 /nfs/dbraw/zinc/80/49/72/342804972.db2.gz ZGYKCZHMCMTUKP-YUMQZZPRSA-N 2 1 217.338 -0.252 20 0 BBADMP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CSC[NH2+]1 ZINC000131914999 342804819 /nfs/dbraw/zinc/80/48/19/342804819.db2.gz ZGYKCZHMCMTUKP-HTQZYQBOSA-N 2 1 217.338 -0.252 20 0 BBADMP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1CSC[NH2+]1 ZINC000131915231 342804878 /nfs/dbraw/zinc/80/48/78/342804878.db2.gz ZGYKCZHMCMTUKP-JGVFFNPUSA-N 2 1 217.338 -0.252 20 0 BBADMP CN(CCC[NH3+])C(=O)[C@@H]1CSC[NH2+]1 ZINC000131936027 411692388 /nfs/dbraw/zinc/69/23/88/411692388.db2.gz FLSVQWUZUMDRLB-ZETCQYMHSA-N 2 1 203.311 -0.544 20 0 BBADMP CN(CCC[NH3+])C(=O)[C@H]1CSC[NH2+]1 ZINC000131936226 411693173 /nfs/dbraw/zinc/69/31/73/411693173.db2.gz FLSVQWUZUMDRLB-SSDOTTSWSA-N 2 1 203.311 -0.544 20 0 BBADMP CC(C)([NH3+])CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000131953768 358701686 /nfs/dbraw/zinc/70/16/86/358701686.db2.gz PMTVDGZLKZZCJP-LURJTMIESA-N 2 1 203.311 -0.498 20 0 BBADMP CC(C)([NH3+])CNC(=O)[C@H]1CSC[NH2+]1 ZINC000131953955 358701779 /nfs/dbraw/zinc/70/17/79/358701779.db2.gz PMTVDGZLKZZCJP-ZCFIWIBFSA-N 2 1 203.311 -0.498 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CSC[NH2+]2)CCO1 ZINC000132023934 411743704 /nfs/dbraw/zinc/74/37/04/411743704.db2.gz UXKQVTPFNJCZIJ-CIUDSAMLSA-N 2 1 245.348 -0.777 20 0 BBADMP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CSC[NH2+]2)CCO1 ZINC000132024365 411742556 /nfs/dbraw/zinc/74/25/56/411742556.db2.gz UXKQVTPFNJCZIJ-XHNCKOQMSA-N 2 1 245.348 -0.777 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CSC[NH2+]2)CCO1 ZINC000132027733 411744603 /nfs/dbraw/zinc/74/46/03/411744603.db2.gz UXKQVTPFNJCZIJ-YIZRAAEISA-N 2 1 245.348 -0.777 20 0 BBADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CSC[NH2+]2)CCO1 ZINC000132027912 411745073 /nfs/dbraw/zinc/74/50/73/411745073.db2.gz UXKQVTPFNJCZIJ-HLTSFMKQSA-N 2 1 245.348 -0.777 20 0 BBADMP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2CSC[NH2+]2)CCO1 ZINC000132028118 411744555 /nfs/dbraw/zinc/74/45/55/411744555.db2.gz UXKQVTPFNJCZIJ-DJLDLDEBSA-N 2 1 245.348 -0.777 20 0 BBADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@H]2CSC[NH2+]2)CCO1 ZINC000132028335 411744824 /nfs/dbraw/zinc/74/48/24/411744824.db2.gz UXKQVTPFNJCZIJ-IWSPIJDZSA-N 2 1 245.348 -0.777 20 0 BBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOCCO ZINC000132198630 344283063 /nfs/dbraw/zinc/28/30/63/344283063.db2.gz DVFTXDHZVJROEY-MNOVXSKESA-N 2 1 216.325 -0.075 20 0 BBADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOCCO ZINC000132198824 344283188 /nfs/dbraw/zinc/28/31/88/344283188.db2.gz DVFTXDHZVJROEY-QWRGUYRKSA-N 2 1 216.325 -0.075 20 0 BBADMP Cc1c[nH+]cn1CC(=O)N1CC[NH2+]CC1 ZINC000132838935 412318402 /nfs/dbraw/zinc/31/84/02/412318402.db2.gz YANDQNHLRLOYSA-UHFFFAOYSA-N 2 1 208.265 -0.377 20 0 BBADMP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000132917072 386258288 /nfs/dbraw/zinc/25/82/88/386258288.db2.gz JEKXSGYCULPEFU-ZJUUUORDSA-N 2 1 227.308 -0.815 20 0 BBADMP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000132917274 173461298 /nfs/dbraw/zinc/46/12/98/173461298.db2.gz JEKXSGYCULPEFU-UWVGGRQHSA-N 2 1 227.308 -0.815 20 0 BBADMP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000132917475 384261820 /nfs/dbraw/zinc/26/18/20/384261820.db2.gz JEKXSGYCULPEFU-NXEZZACHSA-N 2 1 227.308 -0.815 20 0 BBADMP C[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000132917620 386258415 /nfs/dbraw/zinc/25/84/15/386258415.db2.gz JEKXSGYCULPEFU-VHSXEESVSA-N 2 1 227.308 -0.815 20 0 BBADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000132968845 398231970 /nfs/dbraw/zinc/23/19/70/398231970.db2.gz BILWTFGCHWHIPQ-MXWKQRLJSA-N 2 1 241.335 -0.426 20 0 BBADMP C[C@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000132969037 325257273 /nfs/dbraw/zinc/25/72/73/325257273.db2.gz BILWTFGCHWHIPQ-AXFHLTTASA-N 2 1 241.335 -0.426 20 0 BBADMP COCC[NH2+]CC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132970388 174330998 /nfs/dbraw/zinc/33/09/98/174330998.db2.gz KZTQFLAMGRTWGQ-GHMZBOCLSA-N 2 1 243.351 -0.179 20 0 BBADMP COCC[NH2+]CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000132970573 174331671 /nfs/dbraw/zinc/33/16/71/174331671.db2.gz KZTQFLAMGRTWGQ-WDEREUQCSA-N 2 1 243.351 -0.179 20 0 BBADMP COCC[NH2+]CC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132970795 174330835 /nfs/dbraw/zinc/33/08/35/174330835.db2.gz KZTQFLAMGRTWGQ-MNOVXSKESA-N 2 1 243.351 -0.179 20 0 BBADMP COCC[NH2+]CC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000132971010 174331233 /nfs/dbraw/zinc/33/12/33/174331233.db2.gz KZTQFLAMGRTWGQ-QWRGUYRKSA-N 2 1 243.351 -0.179 20 0 BBADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)CC[C@@H]1C[NH3+] ZINC000133087160 710967319 /nfs/dbraw/zinc/96/73/19/710967319.db2.gz PZOWRMYNJTUQMC-NXEZZACHSA-N 2 1 213.325 -0.009 20 0 BBADMP C[C@H]1C[N@@H+](CC(=O)N(C)C)CC[C@@H]1C[NH3+] ZINC000133087374 711558891 /nfs/dbraw/zinc/55/88/91/711558891.db2.gz PZOWRMYNJTUQMC-VHSXEESVSA-N 2 1 213.325 -0.009 20 0 BBADMP C[NH+](C)C[C@@H]1CC[N@H+](CCOCCO)C1 ZINC000133106437 191036320 /nfs/dbraw/zinc/03/63/20/191036320.db2.gz GPNRZWBUFBVGKX-NSHDSACASA-N 2 1 216.325 -0.121 20 0 BBADMP C[NH+](C)C[C@H]1CC[N@H+](CCOCCO)C1 ZINC000133106638 191036754 /nfs/dbraw/zinc/03/67/54/191036754.db2.gz GPNRZWBUFBVGKX-LLVKDONJSA-N 2 1 216.325 -0.121 20 0 BBADMP CNC(=O)NC(=O)CC[N@@H+](C)CCC[NH3+] ZINC000133197021 372004579 /nfs/dbraw/zinc/00/45/79/372004579.db2.gz TXYFANWIZZLOSG-UHFFFAOYSA-N 2 1 216.285 -0.887 20 0 BBADMP C[N@@H+](CCC[NH3+])CCN1C(=O)CCC1=O ZINC000133218954 487913700 /nfs/dbraw/zinc/91/37/00/487913700.db2.gz OMFSRZCANSVDOS-UHFFFAOYSA-N 2 1 213.281 -0.584 20 0 BBADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@@H]1CCOC1 ZINC000133378958 344319180 /nfs/dbraw/zinc/31/91/80/344319180.db2.gz ICUUSDASINBOLX-AXFHLTTASA-N 2 1 216.325 -0.077 20 0 BBADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@H]1CCOC1 ZINC000133379353 344318972 /nfs/dbraw/zinc/31/89/72/344318972.db2.gz ICUUSDASINBOLX-DCAQKATOSA-N 2 1 216.325 -0.077 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)NCC[NH+](C)C ZINC000133594695 325303245 /nfs/dbraw/zinc/30/32/45/325303245.db2.gz GEEGBYFIZDWWCI-UHFFFAOYSA-N 2 1 246.355 -0.575 20 0 BBADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)CO)CC1 ZINC000133697975 711455103 /nfs/dbraw/zinc/45/51/03/711455103.db2.gz HXSMMBKVMBXIJP-NSHDSACASA-N 2 1 216.325 -0.244 20 0 BBADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)CO)CC1 ZINC000133697975 711455102 /nfs/dbraw/zinc/45/51/02/711455102.db2.gz HXSMMBKVMBXIJP-NSHDSACASA-N 2 1 216.325 -0.244 20 0 BBADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)CO)CC1 ZINC000133698176 711455114 /nfs/dbraw/zinc/45/51/14/711455114.db2.gz HXSMMBKVMBXIJP-LLVKDONJSA-N 2 1 216.325 -0.244 20 0 BBADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)CO)CC1 ZINC000133698176 711455113 /nfs/dbraw/zinc/45/51/13/711455113.db2.gz HXSMMBKVMBXIJP-LLVKDONJSA-N 2 1 216.325 -0.244 20 0 BBADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@H](O)CO)CC[C@@H]21 ZINC000133741247 711460075 /nfs/dbraw/zinc/46/00/75/711460075.db2.gz RQLYIAKMLJHCRT-SRVKXCTJSA-N 2 1 228.336 -0.244 20 0 BBADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@H](O)CO)CC[C@@H]21 ZINC000133741247 711460073 /nfs/dbraw/zinc/46/00/73/711460073.db2.gz RQLYIAKMLJHCRT-SRVKXCTJSA-N 2 1 228.336 -0.244 20 0 BBADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@H](O)CO)CC[C@@H]21 ZINC000133741247 711460072 /nfs/dbraw/zinc/46/00/72/711460072.db2.gz RQLYIAKMLJHCRT-SRVKXCTJSA-N 2 1 228.336 -0.244 20 0 BBADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)CO)CC[C@@H]21 ZINC000133741503 711460345 /nfs/dbraw/zinc/46/03/45/711460345.db2.gz RQLYIAKMLJHCRT-WOPDTQHZSA-N 2 1 228.336 -0.244 20 0 BBADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)CO)CC[C@@H]21 ZINC000133741503 711460343 /nfs/dbraw/zinc/46/03/43/711460343.db2.gz RQLYIAKMLJHCRT-WOPDTQHZSA-N 2 1 228.336 -0.244 20 0 BBADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)CO)CC[C@@H]21 ZINC000133741503 711460342 /nfs/dbraw/zinc/46/03/42/711460342.db2.gz RQLYIAKMLJHCRT-WOPDTQHZSA-N 2 1 228.336 -0.244 20 0 BBADMP C[C@@H]([NH3+])[C@H](C)C(=O)NCCC[NH+]1CCOCC1 ZINC000133766933 398100554 /nfs/dbraw/zinc/10/05/54/398100554.db2.gz IHLKZGICPJCOQY-WDEREUQCSA-N 2 1 243.351 -0.192 20 0 BBADMP C[C@@H]([NH3+])[C@@H](C)C(=O)NCCC[NH+]1CCOCC1 ZINC000133767131 398100659 /nfs/dbraw/zinc/10/06/59/398100659.db2.gz IHLKZGICPJCOQY-GHMZBOCLSA-N 2 1 243.351 -0.192 20 0 BBADMP C[C@H]([NH3+])[C@H](C)C(=O)NCCC[NH+]1CCOCC1 ZINC000133767331 398100566 /nfs/dbraw/zinc/10/05/66/398100566.db2.gz IHLKZGICPJCOQY-QWRGUYRKSA-N 2 1 243.351 -0.192 20 0 BBADMP C[C@@H](C(=O)NCCC[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000133767556 387802953 /nfs/dbraw/zinc/80/29/53/387802953.db2.gz IHLKZGICPJCOQY-MNOVXSKESA-N 2 1 243.351 -0.192 20 0 BBADMP C[C@H](O)CC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000134120966 412067373 /nfs/dbraw/zinc/06/73/73/412067373.db2.gz QYLBFWYMZJHTJV-NSHDSACASA-N 2 1 215.341 -0.406 20 0 BBADMP C[C@@H](O)CC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000134121186 412070277 /nfs/dbraw/zinc/07/02/77/412070277.db2.gz QYLBFWYMZJHTJV-LLVKDONJSA-N 2 1 215.341 -0.406 20 0 BBADMP C[NH+](C)C1CN(C(=O)CN2CC[NH+](C)CC2)C1 ZINC000134999664 491132699 /nfs/dbraw/zinc/13/26/99/491132699.db2.gz DZBJDMIQRYDZBG-UHFFFAOYSA-N 2 1 240.351 -0.994 20 0 BBADMP COCCCC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000135294397 358828877 /nfs/dbraw/zinc/82/88/77/358828877.db2.gz HQDSATZWWARQQK-UHFFFAOYSA-N 2 1 243.351 -0.223 20 0 BBADMP O[C@@H]1CC[N@H+](C/C=C/C[NH+]2CC[C@H](O)C2)C1 ZINC000137030843 491088701 /nfs/dbraw/zinc/08/87/01/491088701.db2.gz ZXSNJCWDOWUDJX-ZRGSSGQVSA-N 2 1 226.320 -0.324 20 0 BBADMP O[C@@H]1CC[N@@H+](C/C=C/C[NH+]2CC[C@H](O)C2)C1 ZINC000137030843 491088700 /nfs/dbraw/zinc/08/87/00/491088700.db2.gz ZXSNJCWDOWUDJX-ZRGSSGQVSA-N 2 1 226.320 -0.324 20 0 BBADMP O[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@H](O)C2)C1 ZINC000137030843 491088699 /nfs/dbraw/zinc/08/86/99/491088699.db2.gz ZXSNJCWDOWUDJX-ZRGSSGQVSA-N 2 1 226.320 -0.324 20 0 BBADMP O[C@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@H](O)C2)C1 ZINC000137030896 386328415 /nfs/dbraw/zinc/32/84/15/386328415.db2.gz ZXSNJCWDOWUDJX-NLMOASMRSA-N 2 1 226.320 -0.324 20 0 BBADMP [NH3+][C@H](CC(=O)N1CC[NH+](CCO)CC1)C1CC1 ZINC000137255187 592164948 /nfs/dbraw/zinc/16/49/48/592164948.db2.gz OPIYEYGRICDUIY-LLVKDONJSA-N 2 1 241.335 -0.750 20 0 BBADMP [NH3+][C@@H](CC(=O)N1CC[NH+](CCO)CC1)C1CC1 ZINC000137255233 592163431 /nfs/dbraw/zinc/16/34/31/592163431.db2.gz OPIYEYGRICDUIY-NSHDSACASA-N 2 1 241.335 -0.750 20 0 BBADMP [NH3+][C@H](CNC(=O)[C@@H]1CSC[NH2+]1)C1CC1 ZINC000137475279 345846657 /nfs/dbraw/zinc/84/66/57/345846657.db2.gz BUTGQUIVEDFABH-SFYZADRCSA-N 2 1 215.322 -0.498 20 0 BBADMP [NH3+][C@@H](CNC(=O)[C@@H]1CSC[NH2+]1)C1CC1 ZINC000137475342 364507590 /nfs/dbraw/zinc/50/75/90/364507590.db2.gz BUTGQUIVEDFABH-YUMQZZPRSA-N 2 1 215.322 -0.498 20 0 BBADMP [NH3+][C@H](CNC(=O)[C@H]1CSC[NH2+]1)C1CC1 ZINC000137475410 345637841 /nfs/dbraw/zinc/63/78/41/345637841.db2.gz BUTGQUIVEDFABH-HTQZYQBOSA-N 2 1 215.322 -0.498 20 0 BBADMP [NH3+][C@@H](CNC(=O)[C@H]1CSC[NH2+]1)C1CC1 ZINC000137475484 364507078 /nfs/dbraw/zinc/50/70/78/364507078.db2.gz BUTGQUIVEDFABH-JGVFFNPUSA-N 2 1 215.322 -0.498 20 0 BBADMP CC[N@H+]1CCC[C@@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000137839532 358001580 /nfs/dbraw/zinc/00/15/80/358001580.db2.gz UPZUWDIFFGWPNE-SSDOTTSWSA-N 2 1 237.311 -0.068 20 0 BBADMP CC[N@H+]1CCC[C@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000137839644 358001815 /nfs/dbraw/zinc/00/18/15/358001815.db2.gz UPZUWDIFFGWPNE-ZETCQYMHSA-N 2 1 237.311 -0.068 20 0 BBADMP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)CC[C@@H]1[NH3+] ZINC000147472949 488026648 /nfs/dbraw/zinc/02/66/48/488026648.db2.gz RMQCVARMYJDCRJ-YIZRAAEISA-N 2 1 242.323 -0.371 20 0 BBADMP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)CC[C@@H]1[NH3+] ZINC000147472949 488026641 /nfs/dbraw/zinc/02/66/41/488026641.db2.gz RMQCVARMYJDCRJ-YIZRAAEISA-N 2 1 242.323 -0.371 20 0 BBADMP [NH3+]C1(C(=O)NCCC[NH+]2CCOCC2)CCC1 ZINC000147529002 346027078 /nfs/dbraw/zinc/02/70/78/346027078.db2.gz QKTKUYVNJZOVIT-UHFFFAOYSA-N 2 1 241.335 -0.294 20 0 BBADMP C[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000148066195 346032319 /nfs/dbraw/zinc/03/23/19/346032319.db2.gz PWHJHYGDVARGRB-AOOOYVTPSA-N 2 1 211.309 -0.432 20 0 BBADMP CC[N@@H+](C)CCNC(=O)C1([NH3+])CCOCC1 ZINC000149716870 384945029 /nfs/dbraw/zinc/94/50/29/384945029.db2.gz OACTWFYRVCJAAU-UHFFFAOYSA-N 2 1 229.324 -0.438 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C)C1 ZINC000151274445 385099059 /nfs/dbraw/zinc/09/90/59/385099059.db2.gz QSISFKNGOAOKQB-VIFPVBQESA-N 2 1 215.297 -0.957 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C)C1 ZINC000151274445 385099056 /nfs/dbraw/zinc/09/90/56/385099056.db2.gz QSISFKNGOAOKQB-VIFPVBQESA-N 2 1 215.297 -0.957 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C)C1 ZINC000151274521 384557181 /nfs/dbraw/zinc/55/71/81/384557181.db2.gz QSISFKNGOAOKQB-SECBINFHSA-N 2 1 215.297 -0.957 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C)C1 ZINC000151274521 384557177 /nfs/dbraw/zinc/55/71/77/384557177.db2.gz QSISFKNGOAOKQB-SECBINFHSA-N 2 1 215.297 -0.957 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C2CC2)C1 ZINC000151549250 384594012 /nfs/dbraw/zinc/59/40/12/384594012.db2.gz ZWJPUEFZJLNXMC-NSHDSACASA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C2CC2)C1 ZINC000151549250 384594006 /nfs/dbraw/zinc/59/40/06/384594006.db2.gz ZWJPUEFZJLNXMC-NSHDSACASA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C2CC2)C1 ZINC000151549356 384592342 /nfs/dbraw/zinc/59/23/42/384592342.db2.gz ZWJPUEFZJLNXMC-LLVKDONJSA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C2CC2)C1 ZINC000151549356 384592334 /nfs/dbraw/zinc/59/23/34/384592334.db2.gz ZWJPUEFZJLNXMC-LLVKDONJSA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NC(C)(C)C[NH3+])C1 ZINC000151900173 384864112 /nfs/dbraw/zinc/86/41/12/384864112.db2.gz PHGKMHRJQCEIJV-VIFPVBQESA-N 2 1 229.324 -0.439 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NC(C)(C)C[NH3+])C1 ZINC000151900173 384864110 /nfs/dbraw/zinc/86/41/10/384864110.db2.gz PHGKMHRJQCEIJV-VIFPVBQESA-N 2 1 229.324 -0.439 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NC(C)(C)C[NH3+])C1 ZINC000151900261 384864021 /nfs/dbraw/zinc/86/40/21/384864021.db2.gz PHGKMHRJQCEIJV-SECBINFHSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC(C)(C)C[NH3+])C1 ZINC000151900261 384864018 /nfs/dbraw/zinc/86/40/18/384864018.db2.gz PHGKMHRJQCEIJV-SECBINFHSA-N 2 1 229.324 -0.439 20 0 BBADMP O[C@@H]1CC[N@H+](CCOCC[NH+]2CC[C@H](O)C2)C1 ZINC000151909508 323033185 /nfs/dbraw/zinc/03/31/85/323033185.db2.gz BLKUKMCIJUWVIZ-TXEJJXNPSA-N 2 1 244.335 -0.864 20 0 BBADMP O[C@@H]1CC[N@@H+](CCOCC[NH+]2CC[C@H](O)C2)C1 ZINC000151909508 323033184 /nfs/dbraw/zinc/03/31/84/323033184.db2.gz BLKUKMCIJUWVIZ-TXEJJXNPSA-N 2 1 244.335 -0.864 20 0 BBADMP O[C@@H]1CC[NH+](CCOCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000151909508 323033183 /nfs/dbraw/zinc/03/31/83/323033183.db2.gz BLKUKMCIJUWVIZ-TXEJJXNPSA-N 2 1 244.335 -0.864 20 0 BBADMP O[C@H]1CC[NH+](CCOCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000151909609 323044050 /nfs/dbraw/zinc/04/40/50/323044050.db2.gz BLKUKMCIJUWVIZ-RYUDHWBXSA-N 2 1 244.335 -0.864 20 0 BBADMP COCC[NH2+]CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000152250778 323134271 /nfs/dbraw/zinc/13/42/71/323134271.db2.gz VCXDUCKZSOVEHO-QMMMGPOBSA-N 2 1 233.337 -0.999 20 0 BBADMP COCC[NH2+]CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000152250857 323134368 /nfs/dbraw/zinc/13/43/68/323134368.db2.gz VCXDUCKZSOVEHO-MRVPVSSYSA-N 2 1 233.337 -0.999 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000152933818 323049144 /nfs/dbraw/zinc/04/91/44/323049144.db2.gz OKFPCROBWVBBRP-LBPRGKRZSA-N 2 1 245.367 -0.245 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000152933940 398047841 /nfs/dbraw/zinc/04/78/41/398047841.db2.gz OKFPCROBWVBBRP-GFCCVEGCSA-N 2 1 245.367 -0.245 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000153038934 344736760 /nfs/dbraw/zinc/73/67/60/344736760.db2.gz AMUSVZYOHXRHDW-QWRGUYRKSA-N 2 1 216.325 -0.123 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000153039039 344736743 /nfs/dbraw/zinc/73/67/43/344736743.db2.gz AMUSVZYOHXRHDW-MNOVXSKESA-N 2 1 216.325 -0.123 20 0 BBADMP C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC000153068205 388936699 /nfs/dbraw/zinc/93/66/99/388936699.db2.gz SHDNTHQDVDISDS-ZYHUDNBSSA-N 2 1 243.351 -0.491 20 0 BBADMP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC000153068310 388936111 /nfs/dbraw/zinc/93/61/11/388936111.db2.gz SHDNTHQDVDISDS-PWSUYJOCSA-N 2 1 243.351 -0.491 20 0 BBADMP C[C@@H]1CN(C(=O)[C@@H]2COCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC000153266192 201229280 /nfs/dbraw/zinc/22/92/80/201229280.db2.gz AFTRWVMRNOQREO-AEJSXWLSSA-N 2 1 227.308 -0.816 20 0 BBADMP C[C@H]1CN(C(=O)[C@@H]2COCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC000153266309 641744027 /nfs/dbraw/zinc/74/40/27/641744027.db2.gz AFTRWVMRNOQREO-GUBZILKMSA-N 2 1 227.308 -0.816 20 0 BBADMP C[C@@H]1CN(C(=O)[C@@H]2COCC[NH2+]2)C[C@@H](C)[NH2+]1 ZINC000153266411 201229705 /nfs/dbraw/zinc/22/97/05/201229705.db2.gz AFTRWVMRNOQREO-BBBLOLIVSA-N 2 1 227.308 -0.816 20 0 BBADMP C[C@@H]1C[C@H](NC[C@H](O)C[NH+](C)C)CC[N@H+]1C ZINC000154248372 201272074 /nfs/dbraw/zinc/27/20/74/201272074.db2.gz GAYLXNMEXHJJRP-UTUOFQBUSA-N 2 1 229.368 -0.019 20 0 BBADMP C[C@@H]1C[C@@H](NC[C@H](O)C[NH+](C)C)CC[N@H+]1C ZINC000154248561 201272366 /nfs/dbraw/zinc/27/23/66/201272366.db2.gz GAYLXNMEXHJJRP-WOPDTQHZSA-N 2 1 229.368 -0.019 20 0 BBADMP CCC[NH2+]CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000154328846 642033466 /nfs/dbraw/zinc/03/34/66/642033466.db2.gz JRCNBQRSEHKLAH-QMMMGPOBSA-N 2 1 217.338 -0.235 20 0 BBADMP CCC[NH2+]CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000154328966 642032808 /nfs/dbraw/zinc/03/28/08/642032808.db2.gz JRCNBQRSEHKLAH-MRVPVSSYSA-N 2 1 217.338 -0.235 20 0 BBADMP COCCC[N@@H+](C)CCNC(=O)C[NH2+]C1CC1 ZINC000154669175 343745880 /nfs/dbraw/zinc/74/58/80/343745880.db2.gz RHUYXPUDEQCRQY-UHFFFAOYSA-N 2 1 243.351 -0.177 20 0 BBADMP C[C@@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CC[N@H+]1C ZINC000156123530 538769574 /nfs/dbraw/zinc/76/95/74/538769574.db2.gz WLYANLNBGMVANJ-NXEZZACHSA-N 2 1 249.380 -0.392 20 0 BBADMP C[C@@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CC[N@@H+]1C ZINC000156123530 538769569 /nfs/dbraw/zinc/76/95/69/538769569.db2.gz WLYANLNBGMVANJ-NXEZZACHSA-N 2 1 249.380 -0.392 20 0 BBADMP C[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CC[N@H+]1C ZINC000156123622 538768385 /nfs/dbraw/zinc/76/83/85/538768385.db2.gz WLYANLNBGMVANJ-VHSXEESVSA-N 2 1 249.380 -0.392 20 0 BBADMP C[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CC[N@@H+]1C ZINC000156123622 538768380 /nfs/dbraw/zinc/76/83/80/538768380.db2.gz WLYANLNBGMVANJ-VHSXEESVSA-N 2 1 249.380 -0.392 20 0 BBADMP C[C@@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CC[N@H+]1C ZINC000156123750 538769648 /nfs/dbraw/zinc/76/96/48/538769648.db2.gz WLYANLNBGMVANJ-ZJUUUORDSA-N 2 1 249.380 -0.392 20 0 BBADMP C[C@@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CC[N@@H+]1C ZINC000156123750 538769644 /nfs/dbraw/zinc/76/96/44/538769644.db2.gz WLYANLNBGMVANJ-ZJUUUORDSA-N 2 1 249.380 -0.392 20 0 BBADMP C[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CC[N@H+]1C ZINC000156123866 538769494 /nfs/dbraw/zinc/76/94/94/538769494.db2.gz WLYANLNBGMVANJ-UWVGGRQHSA-N 2 1 249.380 -0.392 20 0 BBADMP C[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CC[N@@H+]1C ZINC000156123866 538769488 /nfs/dbraw/zinc/76/94/88/538769488.db2.gz WLYANLNBGMVANJ-UWVGGRQHSA-N 2 1 249.380 -0.392 20 0 BBADMP C[NH+](CCO)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000156947624 385029736 /nfs/dbraw/zinc/02/97/36/385029736.db2.gz WYVDYQCWMNBNPB-LLVKDONJSA-N 2 1 216.325 -0.243 20 0 BBADMP C[NH+](CCO)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000156947624 385029734 /nfs/dbraw/zinc/02/97/34/385029734.db2.gz WYVDYQCWMNBNPB-LLVKDONJSA-N 2 1 216.325 -0.243 20 0 BBADMP C[N@@H+](CCO)[C@@H]1CCC[NH+](CCO)CC1 ZINC000156947624 385029728 /nfs/dbraw/zinc/02/97/28/385029728.db2.gz WYVDYQCWMNBNPB-LLVKDONJSA-N 2 1 216.325 -0.243 20 0 BBADMP C[NH+](CCO)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000156947772 385029172 /nfs/dbraw/zinc/02/91/72/385029172.db2.gz WYVDYQCWMNBNPB-NSHDSACASA-N 2 1 216.325 -0.243 20 0 BBADMP C[NH+](CCO)[C@H]1CCC[N@H+](CCO)CC1 ZINC000156947772 385029168 /nfs/dbraw/zinc/02/91/68/385029168.db2.gz WYVDYQCWMNBNPB-NSHDSACASA-N 2 1 216.325 -0.243 20 0 BBADMP C[N@@H+](CCO)[C@H]1CCC[NH+](CCO)CC1 ZINC000156947772 385029159 /nfs/dbraw/zinc/02/91/59/385029159.db2.gz WYVDYQCWMNBNPB-NSHDSACASA-N 2 1 216.325 -0.243 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]([NH3+])C(C)C)C1 ZINC000157199770 386963742 /nfs/dbraw/zinc/96/37/42/386963742.db2.gz SFODDQWZMLLUFJ-QWRGUYRKSA-N 2 1 243.351 -0.193 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]([NH3+])C(C)C)C1 ZINC000157199770 386963737 /nfs/dbraw/zinc/96/37/37/386963737.db2.gz SFODDQWZMLLUFJ-QWRGUYRKSA-N 2 1 243.351 -0.193 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]([NH3+])C(C)C)C1 ZINC000157199924 386963269 /nfs/dbraw/zinc/96/32/69/386963269.db2.gz SFODDQWZMLLUFJ-WDEREUQCSA-N 2 1 243.351 -0.193 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]([NH3+])C(C)C)C1 ZINC000157199924 386963266 /nfs/dbraw/zinc/96/32/66/386963266.db2.gz SFODDQWZMLLUFJ-WDEREUQCSA-N 2 1 243.351 -0.193 20 0 BBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000157268840 385122764 /nfs/dbraw/zinc/12/27/64/385122764.db2.gz LAKFYQQMXMSDRK-GHMZBOCLSA-N 2 1 240.351 -0.900 20 0 BBADMP COC[C@@H](C)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000157344355 343199794 /nfs/dbraw/zinc/19/97/94/343199794.db2.gz NNWAUXXYONGMBC-NSHDSACASA-N 2 1 243.351 -0.368 20 0 BBADMP COC[C@H](C)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000157344513 343199666 /nfs/dbraw/zinc/19/96/66/343199666.db2.gz NNWAUXXYONGMBC-LLVKDONJSA-N 2 1 243.351 -0.368 20 0 BBADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1C[NH2+]C1 ZINC000157802886 385288328 /nfs/dbraw/zinc/28/83/28/385288328.db2.gz BRQXQMGBXKSQFP-GHMZBOCLSA-N 2 1 223.320 -0.051 20 0 BBADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1C[NH2+]C1 ZINC000157803037 385288189 /nfs/dbraw/zinc/28/81/89/385288189.db2.gz BRQXQMGBXKSQFP-MNOVXSKESA-N 2 1 223.320 -0.051 20 0 BBADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1C[NH2+]C1 ZINC000157803185 133492815 /nfs/dbraw/zinc/49/28/15/133492815.db2.gz BRQXQMGBXKSQFP-WDEREUQCSA-N 2 1 223.320 -0.051 20 0 BBADMP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)C1C[NH2+]C1 ZINC000157803333 385289074 /nfs/dbraw/zinc/28/90/74/385289074.db2.gz BRQXQMGBXKSQFP-QWRGUYRKSA-N 2 1 223.320 -0.051 20 0 BBADMP C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000158073258 385336532 /nfs/dbraw/zinc/33/65/32/385336532.db2.gz SBSQJZYQRXKQLR-HBNTYKKESA-N 2 1 241.335 -0.297 20 0 BBADMP C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000158073258 385336529 /nfs/dbraw/zinc/33/65/29/385336529.db2.gz SBSQJZYQRXKQLR-HBNTYKKESA-N 2 1 241.335 -0.297 20 0 BBADMP C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000158073396 385338090 /nfs/dbraw/zinc/33/80/90/385338090.db2.gz SBSQJZYQRXKQLR-GMTAPVOTSA-N 2 1 241.335 -0.297 20 0 BBADMP C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000158073396 385338087 /nfs/dbraw/zinc/33/80/87/385338087.db2.gz SBSQJZYQRXKQLR-GMTAPVOTSA-N 2 1 241.335 -0.297 20 0 BBADMP C[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000158073528 385337095 /nfs/dbraw/zinc/33/70/95/385337095.db2.gz SBSQJZYQRXKQLR-AXFHLTTASA-N 2 1 241.335 -0.297 20 0 BBADMP C[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000158073528 385337090 /nfs/dbraw/zinc/33/70/90/385337090.db2.gz SBSQJZYQRXKQLR-AXFHLTTASA-N 2 1 241.335 -0.297 20 0 BBADMP C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000158073674 385337154 /nfs/dbraw/zinc/33/71/54/385337154.db2.gz SBSQJZYQRXKQLR-MXWKQRLJSA-N 2 1 241.335 -0.297 20 0 BBADMP C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000158073674 385337146 /nfs/dbraw/zinc/33/71/46/385337146.db2.gz SBSQJZYQRXKQLR-MXWKQRLJSA-N 2 1 241.335 -0.297 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000158264830 345313927 /nfs/dbraw/zinc/31/39/27/345313927.db2.gz VMJDFVPYXDNJJV-QWRGUYRKSA-N 2 1 241.335 -0.343 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000158264830 345313925 /nfs/dbraw/zinc/31/39/25/345313925.db2.gz VMJDFVPYXDNJJV-QWRGUYRKSA-N 2 1 241.335 -0.343 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000158264982 345313811 /nfs/dbraw/zinc/31/38/11/345313811.db2.gz VMJDFVPYXDNJJV-WDEREUQCSA-N 2 1 241.335 -0.343 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000158264982 345313809 /nfs/dbraw/zinc/31/38/09/345313809.db2.gz VMJDFVPYXDNJJV-WDEREUQCSA-N 2 1 241.335 -0.343 20 0 BBADMP O=C([C@H]1CSC[NH2+]1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158292664 344584114 /nfs/dbraw/zinc/58/41/14/344584114.db2.gz HRKBQMUIQIMZRF-KOLCDFICSA-N 2 1 241.360 -0.139 20 0 BBADMP O=C([C@H]1CSC[NH2+]1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158292804 344584416 /nfs/dbraw/zinc/58/44/16/344584416.db2.gz HRKBQMUIQIMZRF-MWLCHTKSSA-N 2 1 241.360 -0.139 20 0 BBADMP O=C([C@@H]1CSC[NH2+]1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158471350 398332646 /nfs/dbraw/zinc/33/26/46/398332646.db2.gz HRKBQMUIQIMZRF-ONGXEEELSA-N 2 1 241.360 -0.139 20 0 BBADMP O=C([C@@H]1CSC[NH2+]1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158471499 398332644 /nfs/dbraw/zinc/33/26/44/398332644.db2.gz HRKBQMUIQIMZRF-GXSJLCMTSA-N 2 1 241.360 -0.139 20 0 BBADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000158528869 361201993 /nfs/dbraw/zinc/20/19/93/361201993.db2.gz KOORCHOBTFNSLO-NXEZZACHSA-N 2 1 211.309 -0.194 20 0 BBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000158529014 345345438 /nfs/dbraw/zinc/34/54/38/345345438.db2.gz KOORCHOBTFNSLO-VHSXEESVSA-N 2 1 211.309 -0.194 20 0 BBADMP C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000158530634 487964358 /nfs/dbraw/zinc/96/43/58/487964358.db2.gz LIFQPHRHZKMUQR-VHSXEESVSA-N 2 1 211.309 -0.051 20 0 BBADMP C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000158530785 487963998 /nfs/dbraw/zinc/96/39/98/487963998.db2.gz LIFQPHRHZKMUQR-NXEZZACHSA-N 2 1 211.309 -0.051 20 0 BBADMP O=C(NCCc1ncc[nH]1)[C@@H]1CSC[NH2+]1 ZINC000158550205 361203756 /nfs/dbraw/zinc/20/37/56/361203756.db2.gz ZWGVVDHZRHBFQO-ZETCQYMHSA-N 2 1 226.305 -0.269 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CCC[NH3+])C1 ZINC000158823267 487978014 /nfs/dbraw/zinc/97/80/14/487978014.db2.gz KCXNTWFQZFXETA-JTQLQIEISA-N 2 1 229.324 -0.486 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CCC[NH3+])C1 ZINC000158823267 487978010 /nfs/dbraw/zinc/97/80/10/487978010.db2.gz KCXNTWFQZFXETA-JTQLQIEISA-N 2 1 229.324 -0.486 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CCC[NH3+])C1 ZINC000158823447 487977991 /nfs/dbraw/zinc/97/79/91/487977991.db2.gz KCXNTWFQZFXETA-SNVBAGLBSA-N 2 1 229.324 -0.486 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCC[NH3+])C1 ZINC000158823447 487977986 /nfs/dbraw/zinc/97/79/86/487977986.db2.gz KCXNTWFQZFXETA-SNVBAGLBSA-N 2 1 229.324 -0.486 20 0 BBADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000159558931 345440904 /nfs/dbraw/zinc/44/09/04/345440904.db2.gz NPKZBBZCSYQQOS-LLVKDONJSA-N 2 1 241.335 -0.471 20 0 BBADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000159559076 345440854 /nfs/dbraw/zinc/44/08/54/345440854.db2.gz NPKZBBZCSYQQOS-NSHDSACASA-N 2 1 241.335 -0.471 20 0 BBADMP COC[C@H]([NH3+])C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000159913672 345644705 /nfs/dbraw/zinc/64/47/05/345644705.db2.gz PMQJEXUFWSWFCU-MNOVXSKESA-N 2 1 241.335 -0.343 20 0 BBADMP COC[C@@H]([NH3+])C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000159913796 345644493 /nfs/dbraw/zinc/64/44/93/345644493.db2.gz PMQJEXUFWSWFCU-GHMZBOCLSA-N 2 1 241.335 -0.343 20 0 BBADMP COC[C@H]([NH3+])C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000159922915 345660597 /nfs/dbraw/zinc/66/05/97/345660597.db2.gz QQHYOMYIFJBBOL-NSHDSACASA-N 2 1 243.351 -0.049 20 0 BBADMP CNC(=O)NC(=O)CC[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000160135942 173286309 /nfs/dbraw/zinc/28/63/09/173286309.db2.gz PLBCUUGKYLUKGD-VIFPVBQESA-N 2 1 242.323 -0.499 20 0 BBADMP CNC(=O)NC(=O)CC[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000160135942 173286308 /nfs/dbraw/zinc/28/63/08/173286308.db2.gz PLBCUUGKYLUKGD-VIFPVBQESA-N 2 1 242.323 -0.499 20 0 BBADMP CNC(=O)NC(=O)CC[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000160136099 173286493 /nfs/dbraw/zinc/28/64/93/173286493.db2.gz PLBCUUGKYLUKGD-SECBINFHSA-N 2 1 242.323 -0.499 20 0 BBADMP CNC(=O)NC(=O)CC[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000160136099 173286492 /nfs/dbraw/zinc/28/64/92/173286492.db2.gz PLBCUUGKYLUKGD-SECBINFHSA-N 2 1 242.323 -0.499 20 0 BBADMP CC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000160268506 488120208 /nfs/dbraw/zinc/12/02/08/488120208.db2.gz JCZWFOODVOQJQL-GHMZBOCLSA-N 2 1 211.309 -0.194 20 0 BBADMP CC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000160268627 488120558 /nfs/dbraw/zinc/12/05/58/488120558.db2.gz JCZWFOODVOQJQL-MNOVXSKESA-N 2 1 211.309 -0.194 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000160615959 641151792 /nfs/dbraw/zinc/15/17/92/641151792.db2.gz HHSQDACWPIXKIZ-AEJSXWLSSA-N 2 1 202.298 -0.337 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000160616074 635136344 /nfs/dbraw/zinc/13/63/44/635136344.db2.gz HHSQDACWPIXKIZ-BBBLOLIVSA-N 2 1 202.298 -0.337 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000160616195 641152035 /nfs/dbraw/zinc/15/20/35/641152035.db2.gz HHSQDACWPIXKIZ-GUBZILKMSA-N 2 1 202.298 -0.337 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000160616315 641151655 /nfs/dbraw/zinc/15/16/55/641151655.db2.gz HHSQDACWPIXKIZ-UTLUCORTSA-N 2 1 202.298 -0.337 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000162275930 387335297 /nfs/dbraw/zinc/33/52/97/387335297.db2.gz KPNUXACFGUPENN-NSHDSACASA-N 2 1 242.367 -0.572 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000163202813 384167876 /nfs/dbraw/zinc/16/78/76/384167876.db2.gz IMRIKQYFWKMSPF-WDEREUQCSA-N 2 1 241.335 -0.486 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000163202813 384167870 /nfs/dbraw/zinc/16/78/70/384167870.db2.gz IMRIKQYFWKMSPF-WDEREUQCSA-N 2 1 241.335 -0.486 20 0 BBADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000163202937 384168037 /nfs/dbraw/zinc/16/80/37/384168037.db2.gz IMRIKQYFWKMSPF-GHMZBOCLSA-N 2 1 241.335 -0.486 20 0 BBADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000163202937 384168031 /nfs/dbraw/zinc/16/80/31/384168031.db2.gz IMRIKQYFWKMSPF-GHMZBOCLSA-N 2 1 241.335 -0.486 20 0 BBADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000163203057 384167932 /nfs/dbraw/zinc/16/79/32/384167932.db2.gz IMRIKQYFWKMSPF-QWRGUYRKSA-N 2 1 241.335 -0.486 20 0 BBADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000163203057 384167929 /nfs/dbraw/zinc/16/79/29/384167929.db2.gz IMRIKQYFWKMSPF-QWRGUYRKSA-N 2 1 241.335 -0.486 20 0 BBADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000163203164 384167329 /nfs/dbraw/zinc/16/73/29/384167329.db2.gz IMRIKQYFWKMSPF-MNOVXSKESA-N 2 1 241.335 -0.486 20 0 BBADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000163203164 384167325 /nfs/dbraw/zinc/16/73/25/384167325.db2.gz IMRIKQYFWKMSPF-MNOVXSKESA-N 2 1 241.335 -0.486 20 0 BBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000163215984 173286645 /nfs/dbraw/zinc/28/66/45/173286645.db2.gz QISWTJLHLHZHNX-DTWKUNHWSA-N 2 1 242.323 -0.499 20 0 BBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000163216072 173286295 /nfs/dbraw/zinc/28/62/95/173286295.db2.gz QISWTJLHLHZHNX-RKDXNWHRSA-N 2 1 242.323 -0.499 20 0 BBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000163216186 173286583 /nfs/dbraw/zinc/28/65/83/173286583.db2.gz QISWTJLHLHZHNX-IUCAKERBSA-N 2 1 242.323 -0.499 20 0 BBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163216269 173286487 /nfs/dbraw/zinc/28/64/87/173286487.db2.gz QISWTJLHLHZHNX-BDAKNGLRSA-N 2 1 242.323 -0.499 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000163221852 384179868 /nfs/dbraw/zinc/17/98/68/384179868.db2.gz NDSZKJCPXVGBAG-VHSXEESVSA-N 2 1 239.319 -0.196 20 0 BBADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000163221966 386157415 /nfs/dbraw/zinc/15/74/15/386157415.db2.gz NDSZKJCPXVGBAG-NXEZZACHSA-N 2 1 239.319 -0.196 20 0 BBADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000163222068 384179853 /nfs/dbraw/zinc/17/98/53/384179853.db2.gz NDSZKJCPXVGBAG-UWVGGRQHSA-N 2 1 239.319 -0.196 20 0 BBADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000163222198 384180637 /nfs/dbraw/zinc/18/06/37/384180637.db2.gz NDSZKJCPXVGBAG-ZJUUUORDSA-N 2 1 239.319 -0.196 20 0 BBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000163235157 173288376 /nfs/dbraw/zinc/28/83/76/173288376.db2.gz WENYFTHGHMLGDM-XHNCKOQMSA-N 2 1 242.323 -0.500 20 0 BBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000163235157 173288375 /nfs/dbraw/zinc/28/83/75/173288375.db2.gz WENYFTHGHMLGDM-XHNCKOQMSA-N 2 1 242.323 -0.500 20 0 BBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000163235267 173288482 /nfs/dbraw/zinc/28/84/82/173288482.db2.gz WENYFTHGHMLGDM-HRDYMLBCSA-N 2 1 242.323 -0.500 20 0 BBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000163235267 173288481 /nfs/dbraw/zinc/28/84/81/173288481.db2.gz WENYFTHGHMLGDM-HRDYMLBCSA-N 2 1 242.323 -0.500 20 0 BBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000163235386 173288063 /nfs/dbraw/zinc/28/80/63/173288063.db2.gz WENYFTHGHMLGDM-CIUDSAMLSA-N 2 1 242.323 -0.500 20 0 BBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000163235386 173288062 /nfs/dbraw/zinc/28/80/62/173288062.db2.gz WENYFTHGHMLGDM-CIUDSAMLSA-N 2 1 242.323 -0.500 20 0 BBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163235501 173288505 /nfs/dbraw/zinc/28/85/05/173288505.db2.gz WENYFTHGHMLGDM-VGMNWLOBSA-N 2 1 242.323 -0.500 20 0 BBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163235501 173288504 /nfs/dbraw/zinc/28/85/04/173288504.db2.gz WENYFTHGHMLGDM-VGMNWLOBSA-N 2 1 242.323 -0.500 20 0 BBADMP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164405797 343207566 /nfs/dbraw/zinc/20/75/66/343207566.db2.gz XDCDLURVSQBQFA-RGOKHQFPSA-N 2 1 211.309 -0.081 20 0 BBADMP CCOCC[NH+]1CCN(C(=O)C[NH3+])CC1 ZINC000164470974 135338975 /nfs/dbraw/zinc/33/89/75/135338975.db2.gz RMEKWNZWYLPLCA-UHFFFAOYSA-N 2 1 215.297 -0.874 20 0 BBADMP CCOCC[NH+]1CCN(C(=O)CC[NH3+])CC1 ZINC000164474373 384995375 /nfs/dbraw/zinc/99/53/75/384995375.db2.gz MJNLTVTVANGUPT-UHFFFAOYSA-N 2 1 229.324 -0.484 20 0 BBADMP CCOCC[NH+]1CCN(C(=O)CCC[NH3+])CC1 ZINC000164474521 352934513 /nfs/dbraw/zinc/93/45/13/352934513.db2.gz HXRNEBHIJAMQKH-UHFFFAOYSA-N 2 1 243.351 -0.094 20 0 BBADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000164641218 385190574 /nfs/dbraw/zinc/19/05/74/385190574.db2.gz RGZMICLXMJEDMB-ZJUUUORDSA-N 2 1 213.325 -0.009 20 0 BBADMP C[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000164641218 385190571 /nfs/dbraw/zinc/19/05/71/385190571.db2.gz RGZMICLXMJEDMB-ZJUUUORDSA-N 2 1 213.325 -0.009 20 0 BBADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000164641334 385190334 /nfs/dbraw/zinc/19/03/34/385190334.db2.gz RGZMICLXMJEDMB-UWVGGRQHSA-N 2 1 213.325 -0.009 20 0 BBADMP C[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000164641334 385190329 /nfs/dbraw/zinc/19/03/29/385190329.db2.gz RGZMICLXMJEDMB-UWVGGRQHSA-N 2 1 213.325 -0.009 20 0 BBADMP COCC[N@@H+](C)CCCNC(=O)[C@H](C)[NH3+] ZINC000165305388 361837840 /nfs/dbraw/zinc/83/78/40/361837840.db2.gz VADKFAKVTBNVGC-VIFPVBQESA-N 2 1 217.313 -0.582 20 0 BBADMP COCC[N@@H+](C)CCCNC(=O)[C@@H](C)[NH3+] ZINC000165305472 358435054 /nfs/dbraw/zinc/43/50/54/358435054.db2.gz VADKFAKVTBNVGC-SECBINFHSA-N 2 1 217.313 -0.582 20 0 BBADMP CC[C@H]([NH3+])C(=O)NCCC[N@@H+](C)CCOC ZINC000165306369 353294476 /nfs/dbraw/zinc/29/44/76/353294476.db2.gz YDLQWDWFIJSHCW-JTQLQIEISA-N 2 1 231.340 -0.192 20 0 BBADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000165307571 353294808 /nfs/dbraw/zinc/29/48/08/353294808.db2.gz CFMVABSQLLVKRK-LLVKDONJSA-N 2 1 243.351 -0.320 20 0 BBADMP COCC[N@@H+](C)CCCNC(=O)[C@H]1CC[NH2+]C1 ZINC000165307695 353294744 /nfs/dbraw/zinc/29/47/44/353294744.db2.gz CFMVABSQLLVKRK-NSHDSACASA-N 2 1 243.351 -0.320 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000165429709 353348381 /nfs/dbraw/zinc/34/83/81/353348381.db2.gz HZJHONSQMSTOFB-VHSXEESVSA-N 2 1 231.340 -0.336 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000165429845 353348566 /nfs/dbraw/zinc/34/85/66/353348566.db2.gz HZJHONSQMSTOFB-NXEZZACHSA-N 2 1 231.340 -0.336 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000165429979 353348373 /nfs/dbraw/zinc/34/83/73/353348373.db2.gz HZJHONSQMSTOFB-UWVGGRQHSA-N 2 1 231.340 -0.336 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000165430111 353348514 /nfs/dbraw/zinc/34/85/14/353348514.db2.gz HZJHONSQMSTOFB-ZJUUUORDSA-N 2 1 231.340 -0.336 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000166219467 136310181 /nfs/dbraw/zinc/31/01/81/136310181.db2.gz BVBXATCPSFFJDR-NWDGAFQWSA-N 2 1 227.352 -0.012 20 0 BBADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000166219585 136309908 /nfs/dbraw/zinc/30/99/08/136309908.db2.gz BVBXATCPSFFJDR-VXGBXAGGSA-N 2 1 227.352 -0.012 20 0 BBADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000166219697 136310081 /nfs/dbraw/zinc/31/00/81/136310081.db2.gz BVBXATCPSFFJDR-RYUDHWBXSA-N 2 1 227.352 -0.012 20 0 BBADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000166219816 136310644 /nfs/dbraw/zinc/31/06/44/136310644.db2.gz BVBXATCPSFFJDR-NEPJUHHUSA-N 2 1 227.352 -0.012 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC000166222753 136308925 /nfs/dbraw/zinc/30/89/25/136308925.db2.gz CNVMKYMGPHQWLZ-DTWKUNHWSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC000166222753 136308924 /nfs/dbraw/zinc/30/89/24/136308924.db2.gz CNVMKYMGPHQWLZ-DTWKUNHWSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC000166222875 136308789 /nfs/dbraw/zinc/30/87/89/136308789.db2.gz CNVMKYMGPHQWLZ-RKDXNWHRSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC000166222875 136308788 /nfs/dbraw/zinc/30/87/88/136308788.db2.gz CNVMKYMGPHQWLZ-RKDXNWHRSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC000166223008 136308803 /nfs/dbraw/zinc/30/88/03/136308803.db2.gz CNVMKYMGPHQWLZ-IUCAKERBSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC000166223008 136308802 /nfs/dbraw/zinc/30/88/02/136308802.db2.gz CNVMKYMGPHQWLZ-IUCAKERBSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC000166223129 136309211 /nfs/dbraw/zinc/30/92/11/136309211.db2.gz CNVMKYMGPHQWLZ-BDAKNGLRSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC000166223129 136309210 /nfs/dbraw/zinc/30/92/10/136309210.db2.gz CNVMKYMGPHQWLZ-BDAKNGLRSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000166223261 136309231 /nfs/dbraw/zinc/30/92/31/136309231.db2.gz ULJIVUJAUSOSNR-BIIVOSGPSA-N 2 1 228.296 -0.761 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000166223261 136309230 /nfs/dbraw/zinc/30/92/30/136309230.db2.gz ULJIVUJAUSOSNR-BIIVOSGPSA-N 2 1 228.296 -0.761 20 0 BBADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000166223522 136309262 /nfs/dbraw/zinc/30/92/62/136309262.db2.gz ULJIVUJAUSOSNR-FXQIFTODSA-N 2 1 228.296 -0.761 20 0 BBADMP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000166223522 136309261 /nfs/dbraw/zinc/30/92/61/136309261.db2.gz ULJIVUJAUSOSNR-FXQIFTODSA-N 2 1 228.296 -0.761 20 0 BBADMP CC[N@@H+](C)CCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000166289165 387619339 /nfs/dbraw/zinc/61/93/39/387619339.db2.gz ZJPFWCPGIQAFJP-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP CC[N@@H+](C)CCNC(=O)C1(OC)CC[NH2+]CC1 ZINC000166289712 355354924 /nfs/dbraw/zinc/35/49/24/355354924.db2.gz CTPQZEBMVVPOES-UHFFFAOYSA-N 2 1 243.351 -0.177 20 0 BBADMP CC[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000166595906 355709854 /nfs/dbraw/zinc/70/98/54/355709854.db2.gz RKVOLIIRWBQQBF-MNOVXSKESA-N 2 1 243.351 -0.192 20 0 BBADMP CC[C@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000166596028 355709920 /nfs/dbraw/zinc/70/99/20/355709920.db2.gz RKVOLIIRWBQQBF-QWRGUYRKSA-N 2 1 243.351 -0.192 20 0 BBADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000166636954 206143099 /nfs/dbraw/zinc/14/30/99/206143099.db2.gz JMWKNZZWMMVLHU-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP CCCC[N@H+](C)CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000166636954 206143097 /nfs/dbraw/zinc/14/30/97/206143097.db2.gz JMWKNZZWMMVLHU-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP CCCC[N@@H+](C)CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000166637070 206140437 /nfs/dbraw/zinc/14/04/37/206140437.db2.gz JMWKNZZWMMVLHU-LLVKDONJSA-N 2 1 243.351 -0.177 20 0 BBADMP CCCC[N@H+](C)CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000166637070 206140435 /nfs/dbraw/zinc/14/04/35/206140435.db2.gz JMWKNZZWMMVLHU-LLVKDONJSA-N 2 1 243.351 -0.177 20 0 BBADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000166640468 206142840 /nfs/dbraw/zinc/14/28/40/206142840.db2.gz JOLRNYKQNMHJIV-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP CCCC[N@@H+](C)CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000166640609 206142803 /nfs/dbraw/zinc/14/28/03/206142803.db2.gz JOLRNYKQNMHJIV-LLVKDONJSA-N 2 1 243.351 -0.177 20 0 BBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)[NH3+] ZINC000167262370 136245195 /nfs/dbraw/zinc/24/51/95/136245195.db2.gz SWDXDUOQNUUFQE-UWVGGRQHSA-N 2 1 229.324 -0.439 20 0 BBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)[NH3+] ZINC000167262470 136245069 /nfs/dbraw/zinc/24/50/69/136245069.db2.gz SWDXDUOQNUUFQE-ZJUUUORDSA-N 2 1 229.324 -0.439 20 0 BBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[NH3+] ZINC000167262573 136245274 /nfs/dbraw/zinc/24/52/74/136245274.db2.gz SWDXDUOQNUUFQE-VHSXEESVSA-N 2 1 229.324 -0.439 20 0 BBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[NH3+] ZINC000167262678 136245250 /nfs/dbraw/zinc/24/52/50/136245250.db2.gz SWDXDUOQNUUFQE-NXEZZACHSA-N 2 1 229.324 -0.439 20 0 BBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)CCC[NH3+] ZINC000167265399 136245091 /nfs/dbraw/zinc/24/50/91/136245091.db2.gz JRSIKNPPWMCPJI-LLVKDONJSA-N 2 1 243.351 -0.048 20 0 BBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)CCC[NH3+] ZINC000167265509 136245201 /nfs/dbraw/zinc/24/52/01/136245201.db2.gz JRSIKNPPWMCPJI-NSHDSACASA-N 2 1 243.351 -0.048 20 0 BBADMP CO[C@H](C)[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000167428130 385313691 /nfs/dbraw/zinc/31/36/91/385313691.db2.gz NUSZESGLKIOOIR-AEJSXWLSSA-N 2 1 204.314 -0.078 20 0 BBADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000167428229 361865322 /nfs/dbraw/zinc/86/53/22/361865322.db2.gz NUSZESGLKIOOIR-BBBLOLIVSA-N 2 1 204.314 -0.078 20 0 BBADMP COC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CC1 ZINC000167432329 361866166 /nfs/dbraw/zinc/86/61/66/361866166.db2.gz WCJVQAAOKXPALH-MNOVXSKESA-N 2 1 216.325 -0.077 20 0 BBADMP COC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CC1 ZINC000167432435 361866016 /nfs/dbraw/zinc/86/60/16/361866016.db2.gz WCJVQAAOKXPALH-QWRGUYRKSA-N 2 1 216.325 -0.077 20 0 BBADMP COC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CC1 ZINC000167432548 361866185 /nfs/dbraw/zinc/86/61/85/361866185.db2.gz WCJVQAAOKXPALH-GHMZBOCLSA-N 2 1 216.325 -0.077 20 0 BBADMP COC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CC1 ZINC000167432644 361865433 /nfs/dbraw/zinc/86/54/33/361865433.db2.gz WCJVQAAOKXPALH-WDEREUQCSA-N 2 1 216.325 -0.077 20 0 BBADMP C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000167658745 487855396 /nfs/dbraw/zinc/85/53/96/487855396.db2.gz VZXIKXFEZRUADD-PSASIEDQSA-N 2 1 211.309 -0.066 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000167678931 636264776 /nfs/dbraw/zinc/26/47/76/636264776.db2.gz XCAJHMOZGXTPEU-VWYCJHECSA-N 2 1 216.325 -0.090 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000167679022 633132068 /nfs/dbraw/zinc/13/20/68/633132068.db2.gz XCAJHMOZGXTPEU-DCAQKATOSA-N 2 1 216.325 -0.090 20 0 BBADMP C[C@H]([C@H](C)NC(=O)CCC[NH3+])[NH+]1CCOCC1 ZINC000167695301 134153829 /nfs/dbraw/zinc/15/38/29/134153829.db2.gz SFKCNPABGAZEIT-WDEREUQCSA-N 2 1 243.351 -0.049 20 0 BBADMP C[C@@H](NC(=O)CCC[NH3+])[C@@H](C)[NH+]1CCOCC1 ZINC000167695407 134153795 /nfs/dbraw/zinc/15/37/95/134153795.db2.gz SFKCNPABGAZEIT-GHMZBOCLSA-N 2 1 243.351 -0.049 20 0 BBADMP C[C@H](NC(=O)CCC[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000167695523 134153850 /nfs/dbraw/zinc/15/38/50/134153850.db2.gz SFKCNPABGAZEIT-QWRGUYRKSA-N 2 1 243.351 -0.049 20 0 BBADMP C[C@@H](NC(=O)CCC[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000167695620 134153575 /nfs/dbraw/zinc/15/35/75/134153575.db2.gz SFKCNPABGAZEIT-MNOVXSKESA-N 2 1 243.351 -0.049 20 0 BBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@H](C)[NH3+])C[C@H]1C ZINC000167989797 206146861 /nfs/dbraw/zinc/14/68/61/206146861.db2.gz WPAWSKXKDLLDRA-BBBLOLIVSA-N 2 1 229.324 -0.753 20 0 BBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@H](C)[NH3+])C[C@@H]1C ZINC000167989914 206148501 /nfs/dbraw/zinc/14/85/01/206148501.db2.gz WPAWSKXKDLLDRA-AEJSXWLSSA-N 2 1 229.324 -0.753 20 0 BBADMP CC[C@@H]1CN(C(=O)[C@@H](C)[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000168004212 134155435 /nfs/dbraw/zinc/15/54/35/134155435.db2.gz UZOKTDCYTDRKFH-GMTAPVOTSA-N 2 1 243.351 -0.363 20 0 BBADMP CC[C@@H]1CN(C(=O)[C@@H](C)[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000168004212 134155434 /nfs/dbraw/zinc/15/54/34/134155434.db2.gz UZOKTDCYTDRKFH-GMTAPVOTSA-N 2 1 243.351 -0.363 20 0 BBADMP CC[C@H]1CN(C(=O)[C@@H](C)[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000168004319 206148140 /nfs/dbraw/zinc/14/81/40/206148140.db2.gz UZOKTDCYTDRKFH-MXWKQRLJSA-N 2 1 243.351 -0.363 20 0 BBADMP CC[C@@H]1CN(C(=O)[C@H](C)[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000168009597 134155122 /nfs/dbraw/zinc/15/51/22/134155122.db2.gz UZOKTDCYTDRKFH-OUAUKWLOSA-N 2 1 243.351 -0.363 20 0 BBADMP CC[C@@H]1CN(C(=O)[C@H](C)[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000168009597 134155121 /nfs/dbraw/zinc/15/51/21/134155121.db2.gz UZOKTDCYTDRKFH-OUAUKWLOSA-N 2 1 243.351 -0.363 20 0 BBADMP CC[C@H]1CN(C(=O)[C@H](C)[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000168009703 206147366 /nfs/dbraw/zinc/14/73/66/206147366.db2.gz UZOKTDCYTDRKFH-VWYCJHECSA-N 2 1 243.351 -0.363 20 0 BBADMP COCC[N@H+]1CCN(C(=O)[C@H](C)[NH3+])C[C@H]1C ZINC000168028913 134155579 /nfs/dbraw/zinc/15/55/79/134155579.db2.gz QQKPKHOGGCKUNA-ZJUUUORDSA-N 2 1 229.324 -0.487 20 0 BBADMP COCC[N@@H+]1CCN(C(=O)[C@H](C)[NH3+])C[C@H]1C ZINC000168028913 134155578 /nfs/dbraw/zinc/15/55/78/134155578.db2.gz QQKPKHOGGCKUNA-ZJUUUORDSA-N 2 1 229.324 -0.487 20 0 BBADMP COCC[N@H+]1CCN(C(=O)[C@H](C)[NH3+])C[C@@H]1C ZINC000168029022 134155694 /nfs/dbraw/zinc/15/56/94/134155694.db2.gz QQKPKHOGGCKUNA-UWVGGRQHSA-N 2 1 229.324 -0.487 20 0 BBADMP COCC[N@@H+]1CCN(C(=O)[C@H](C)[NH3+])C[C@@H]1C ZINC000168029022 134155693 /nfs/dbraw/zinc/15/56/93/134155693.db2.gz QQKPKHOGGCKUNA-UWVGGRQHSA-N 2 1 229.324 -0.487 20 0 BBADMP CC[C@@H]1CN(C(=O)[C@H](C)[NH3+])CC[N@H+]1CCOC ZINC000168066928 134155746 /nfs/dbraw/zinc/15/57/46/134155746.db2.gz RGVWYHRHUUUMCH-WDEREUQCSA-N 2 1 243.351 -0.097 20 0 BBADMP CC[C@@H]1CN(C(=O)[C@H](C)[NH3+])CC[N@@H+]1CCOC ZINC000168066928 134155745 /nfs/dbraw/zinc/15/57/45/134155745.db2.gz RGVWYHRHUUUMCH-WDEREUQCSA-N 2 1 243.351 -0.097 20 0 BBADMP CC[C@H]1CN(C(=O)[C@H](C)[NH3+])CC[N@H+]1CCOC ZINC000168067021 134155709 /nfs/dbraw/zinc/15/57/09/134155709.db2.gz RGVWYHRHUUUMCH-QWRGUYRKSA-N 2 1 243.351 -0.097 20 0 BBADMP CC[C@H]1CN(C(=O)[C@H](C)[NH3+])CC[N@@H+]1CCOC ZINC000168067021 134155708 /nfs/dbraw/zinc/15/57/08/134155708.db2.gz RGVWYHRHUUUMCH-QWRGUYRKSA-N 2 1 243.351 -0.097 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000168546254 343210397 /nfs/dbraw/zinc/21/03/97/343210397.db2.gz JMESBQCHNRXUFO-IVZWLZJFSA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000168546456 343210443 /nfs/dbraw/zinc/21/04/43/343210443.db2.gz JMESBQCHNRXUFO-LPEHRKFASA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@H]([NH3+])C(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000168939946 134248860 /nfs/dbraw/zinc/24/88/60/134248860.db2.gz SAGDVWGJUHVXDP-UWVGGRQHSA-N 2 1 229.324 -0.439 20 0 BBADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@H](C)[NH3+] ZINC000168940032 134249033 /nfs/dbraw/zinc/24/90/33/134249033.db2.gz SAGDVWGJUHVXDP-ZJUUUORDSA-N 2 1 229.324 -0.439 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000168965709 640834268 /nfs/dbraw/zinc/83/42/68/640834268.db2.gz OTNZXJZQLCYFCB-BBBLOLIVSA-N 2 1 202.298 -0.195 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000168965796 632514904 /nfs/dbraw/zinc/51/49/04/632514904.db2.gz OTNZXJZQLCYFCB-AEJSXWLSSA-N 2 1 202.298 -0.195 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000168965887 640833838 /nfs/dbraw/zinc/83/38/38/640833838.db2.gz OTNZXJZQLCYFCB-UTLUCORTSA-N 2 1 202.298 -0.195 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000168965991 640834566 /nfs/dbraw/zinc/83/45/66/640834566.db2.gz OTNZXJZQLCYFCB-GUBZILKMSA-N 2 1 202.298 -0.195 20 0 BBADMP CC(C)OCC[NH+]1CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000169271856 134250002 /nfs/dbraw/zinc/25/00/02/134250002.db2.gz ZFNJNANZVQQTHI-LLVKDONJSA-N 2 1 243.351 -0.097 20 0 BBADMP CC(C)OCC[NH+]1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000169271943 134249826 /nfs/dbraw/zinc/24/98/26/134249826.db2.gz ZFNJNANZVQQTHI-NSHDSACASA-N 2 1 243.351 -0.097 20 0 BBADMP C[NH+](C)CCn1ccc(NC(=O)C[NH+](C)C)n1 ZINC000170772572 134253604 /nfs/dbraw/zinc/25/36/04/134253604.db2.gz QQYSBVMCZWNQMY-UHFFFAOYSA-N 2 1 239.323 -0.055 20 0 BBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C ZINC000170808328 346453511 /nfs/dbraw/zinc/45/35/11/346453511.db2.gz VCUPIHKSAZJKHW-NSHDSACASA-N 2 1 243.351 -0.225 20 0 BBADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C ZINC000170808328 346453510 /nfs/dbraw/zinc/45/35/10/346453510.db2.gz VCUPIHKSAZJKHW-NSHDSACASA-N 2 1 243.351 -0.225 20 0 BBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C ZINC000170808330 346453287 /nfs/dbraw/zinc/45/32/87/346453287.db2.gz VCUPIHKSAZJKHW-LLVKDONJSA-N 2 1 243.351 -0.225 20 0 BBADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C ZINC000170808330 346453284 /nfs/dbraw/zinc/45/32/84/346453284.db2.gz VCUPIHKSAZJKHW-LLVKDONJSA-N 2 1 243.351 -0.225 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)C[NH+](C)C ZINC000171199162 372459024 /nfs/dbraw/zinc/45/90/24/372459024.db2.gz WHJAHKIIWKNDEP-UHFFFAOYSA-N 2 1 217.313 -0.758 20 0 BBADMP COCC[N@@H+](C)CCCNC(=O)C[NH+](C)C ZINC000171375490 372563486 /nfs/dbraw/zinc/56/34/86/372563486.db2.gz MHOVEQKTMSFLCS-UHFFFAOYSA-N 2 1 231.340 -0.368 20 0 BBADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCS(N)(=O)=O)C1 ZINC000172266757 385528819 /nfs/dbraw/zinc/52/88/19/385528819.db2.gz LRUMJONBUGHKCQ-JTQLQIEISA-N 2 1 249.380 -0.452 20 0 BBADMP C[NH+](C)C[C@@H]1CC[N@H+](CCCS(N)(=O)=O)C1 ZINC000172266757 385528817 /nfs/dbraw/zinc/52/88/17/385528817.db2.gz LRUMJONBUGHKCQ-JTQLQIEISA-N 2 1 249.380 -0.452 20 0 BBADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCS(N)(=O)=O)C1 ZINC000172266761 385528117 /nfs/dbraw/zinc/52/81/17/385528117.db2.gz LRUMJONBUGHKCQ-SNVBAGLBSA-N 2 1 249.380 -0.452 20 0 BBADMP C[NH+](C)C[C@H]1CC[N@H+](CCCS(N)(=O)=O)C1 ZINC000172266761 385528113 /nfs/dbraw/zinc/52/81/13/385528113.db2.gz LRUMJONBUGHKCQ-SNVBAGLBSA-N 2 1 249.380 -0.452 20 0 BBADMP CC(C)[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000172810811 535007997 /nfs/dbraw/zinc/00/79/97/535007997.db2.gz QHHFVCHDSMLAIJ-NSHDSACASA-N 2 1 243.351 -0.227 20 0 BBADMP CC(C)[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000172810811 535007993 /nfs/dbraw/zinc/00/79/93/535007993.db2.gz QHHFVCHDSMLAIJ-NSHDSACASA-N 2 1 243.351 -0.227 20 0 BBADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000172810811 535007987 /nfs/dbraw/zinc/00/79/87/535007987.db2.gz QHHFVCHDSMLAIJ-NSHDSACASA-N 2 1 243.351 -0.227 20 0 BBADMP CC(C)[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000172810811 535007986 /nfs/dbraw/zinc/00/79/86/535007986.db2.gz QHHFVCHDSMLAIJ-NSHDSACASA-N 2 1 243.351 -0.227 20 0 BBADMP CC(C)[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000172810820 134269936 /nfs/dbraw/zinc/26/99/36/134269936.db2.gz QHHFVCHDSMLAIJ-LLVKDONJSA-N 2 1 243.351 -0.227 20 0 BBADMP CC(C)[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000172810820 134269935 /nfs/dbraw/zinc/26/99/35/134269935.db2.gz QHHFVCHDSMLAIJ-LLVKDONJSA-N 2 1 243.351 -0.227 20 0 BBADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000172810820 134269934 /nfs/dbraw/zinc/26/99/34/134269934.db2.gz QHHFVCHDSMLAIJ-LLVKDONJSA-N 2 1 243.351 -0.227 20 0 BBADMP CC(C)[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000172810820 134269933 /nfs/dbraw/zinc/26/99/33/134269933.db2.gz QHHFVCHDSMLAIJ-LLVKDONJSA-N 2 1 243.351 -0.227 20 0 BBADMP COCCC[N@@H+](C)CCNC(=O)C[NH+](C)C ZINC000173546555 536500731 /nfs/dbraw/zinc/50/07/31/536500731.db2.gz PTNVEYRVCPOOMA-UHFFFAOYSA-N 2 1 231.340 -0.368 20 0 BBADMP CC[NH+](CC)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000174346049 535537976 /nfs/dbraw/zinc/53/79/76/535537976.db2.gz JPBZICGODAKKHW-NSHDSACASA-N 2 1 243.351 -0.225 20 0 BBADMP CC[NH+](CC)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000174346049 535537971 /nfs/dbraw/zinc/53/79/71/535537971.db2.gz JPBZICGODAKKHW-NSHDSACASA-N 2 1 243.351 -0.225 20 0 BBADMP CC[NH+](CC)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000174346063 134280771 /nfs/dbraw/zinc/28/07/71/134280771.db2.gz JPBZICGODAKKHW-LLVKDONJSA-N 2 1 243.351 -0.225 20 0 BBADMP CC[NH+](CC)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000174346063 134280770 /nfs/dbraw/zinc/28/07/70/134280770.db2.gz JPBZICGODAKKHW-LLVKDONJSA-N 2 1 243.351 -0.225 20 0 BBADMP C[C@@H](C(N)=O)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174721073 134283148 /nfs/dbraw/zinc/28/31/48/134283148.db2.gz MOAKTYBHSZZRLQ-NSHDSACASA-N 2 1 242.367 -0.571 20 0 BBADMP C[C@H](C(N)=O)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174721084 134283115 /nfs/dbraw/zinc/28/31/15/134283115.db2.gz MOAKTYBHSZZRLQ-LLVKDONJSA-N 2 1 242.367 -0.571 20 0 BBADMP C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000174832644 530063736 /nfs/dbraw/zinc/06/37/36/530063736.db2.gz OCMUKKYZSGDGMM-QWRGUYRKSA-N 2 1 241.335 -0.473 20 0 BBADMP C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000174832644 530063735 /nfs/dbraw/zinc/06/37/35/530063735.db2.gz OCMUKKYZSGDGMM-QWRGUYRKSA-N 2 1 241.335 -0.473 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000174832644 530063734 /nfs/dbraw/zinc/06/37/34/530063734.db2.gz OCMUKKYZSGDGMM-QWRGUYRKSA-N 2 1 241.335 -0.473 20 0 BBADMP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000174832644 530063733 /nfs/dbraw/zinc/06/37/33/530063733.db2.gz OCMUKKYZSGDGMM-QWRGUYRKSA-N 2 1 241.335 -0.473 20 0 BBADMP C[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000174832656 530063778 /nfs/dbraw/zinc/06/37/78/530063778.db2.gz OCMUKKYZSGDGMM-WDEREUQCSA-N 2 1 241.335 -0.473 20 0 BBADMP C[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000174832656 530063777 /nfs/dbraw/zinc/06/37/77/530063777.db2.gz OCMUKKYZSGDGMM-WDEREUQCSA-N 2 1 241.335 -0.473 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000174832656 530063776 /nfs/dbraw/zinc/06/37/76/530063776.db2.gz OCMUKKYZSGDGMM-WDEREUQCSA-N 2 1 241.335 -0.473 20 0 BBADMP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000174832656 530063775 /nfs/dbraw/zinc/06/37/75/530063775.db2.gz OCMUKKYZSGDGMM-WDEREUQCSA-N 2 1 241.335 -0.473 20 0 BBADMP CN(CCN(C)C1CC[NH+](C)CC1)CC(N)=O ZINC000177374385 345905511 /nfs/dbraw/zinc/90/55/11/345905511.db2.gz UHZKNSIJRHZHJZ-UHFFFAOYSA-N 2 1 242.367 -0.571 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000178360673 134309024 /nfs/dbraw/zinc/30/90/24/134309024.db2.gz LFFNTSWCVYFZDN-NSHDSACASA-N 2 1 241.335 -0.471 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000178360673 134309023 /nfs/dbraw/zinc/30/90/23/134309023.db2.gz LFFNTSWCVYFZDN-NSHDSACASA-N 2 1 241.335 -0.471 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000178360684 134309160 /nfs/dbraw/zinc/30/91/60/134309160.db2.gz LFFNTSWCVYFZDN-LLVKDONJSA-N 2 1 241.335 -0.471 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000178360684 134309159 /nfs/dbraw/zinc/30/91/59/134309159.db2.gz LFFNTSWCVYFZDN-LLVKDONJSA-N 2 1 241.335 -0.471 20 0 BBADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(N)=O ZINC000178530745 180234663 /nfs/dbraw/zinc/23/46/63/180234663.db2.gz LLYKXNDADPYRQE-UHFFFAOYSA-N 2 1 210.281 -0.001 20 0 BBADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(N)=O ZINC000178530745 180234661 /nfs/dbraw/zinc/23/46/61/180234661.db2.gz LLYKXNDADPYRQE-UHFFFAOYSA-N 2 1 210.281 -0.001 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000178563497 134308483 /nfs/dbraw/zinc/30/84/83/134308483.db2.gz QXCYMWHUYAHIGC-MNOVXSKESA-N 2 1 241.335 -0.486 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000178563497 134308482 /nfs/dbraw/zinc/30/84/82/134308482.db2.gz QXCYMWHUYAHIGC-MNOVXSKESA-N 2 1 241.335 -0.486 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000178563513 134308468 /nfs/dbraw/zinc/30/84/68/134308468.db2.gz QXCYMWHUYAHIGC-GHMZBOCLSA-N 2 1 241.335 -0.486 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000178563513 134308467 /nfs/dbraw/zinc/30/84/67/134308467.db2.gz QXCYMWHUYAHIGC-GHMZBOCLSA-N 2 1 241.335 -0.486 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H](C)[NH3+])C1 ZINC000178668970 346962097 /nfs/dbraw/zinc/96/20/97/346962097.db2.gz DBYLBHBHPJXBME-ZJUUUORDSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H](C)[NH3+])C1 ZINC000178668970 346962095 /nfs/dbraw/zinc/96/20/95/346962095.db2.gz DBYLBHBHPJXBME-ZJUUUORDSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H](C)[NH3+])C1 ZINC000178668982 134312749 /nfs/dbraw/zinc/31/27/49/134312749.db2.gz DBYLBHBHPJXBME-NXEZZACHSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H](C)[NH3+])C1 ZINC000178668982 134312748 /nfs/dbraw/zinc/31/27/48/134312748.db2.gz DBYLBHBHPJXBME-NXEZZACHSA-N 2 1 229.324 -0.439 20 0 BBADMP C[NH2+]CCCC(=O)N1CC[NH+](CCOC)CC1 ZINC000178673976 346962127 /nfs/dbraw/zinc/96/21/27/346962127.db2.gz MPHMHRKOODOKHE-UHFFFAOYSA-N 2 1 243.351 -0.223 20 0 BBADMP COC[C@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000178676178 366153483 /nfs/dbraw/zinc/15/34/83/366153483.db2.gz IBEFACFGMSMDRP-NSHDSACASA-N 2 1 243.351 -0.225 20 0 BBADMP COC[C@@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000178676199 366154420 /nfs/dbraw/zinc/15/44/20/366154420.db2.gz IBEFACFGMSMDRP-LLVKDONJSA-N 2 1 243.351 -0.225 20 0 BBADMP CC1(C)C[N@@H+](CCNC(=O)CC[NH3+])CCO1 ZINC000178745024 535354576 /nfs/dbraw/zinc/35/45/76/535354576.db2.gz BSNDGCQXPLUHTI-UHFFFAOYSA-N 2 1 229.324 -0.438 20 0 BBADMP CC1(C)C[N@H+](CCNC(=O)CC[NH3+])CCO1 ZINC000178745024 535354569 /nfs/dbraw/zinc/35/45/69/535354569.db2.gz BSNDGCQXPLUHTI-UHFFFAOYSA-N 2 1 229.324 -0.438 20 0 BBADMP CC1(C)C[N@@H+](CCNC(=O)CCC[NH3+])CCO1 ZINC000178745036 535354904 /nfs/dbraw/zinc/35/49/04/535354904.db2.gz DSZPIAQXFSOLSE-UHFFFAOYSA-N 2 1 243.351 -0.048 20 0 BBADMP CC1(C)C[N@H+](CCNC(=O)CCC[NH3+])CCO1 ZINC000178745036 535354901 /nfs/dbraw/zinc/35/49/01/535354901.db2.gz DSZPIAQXFSOLSE-UHFFFAOYSA-N 2 1 243.351 -0.048 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000178761505 134310896 /nfs/dbraw/zinc/31/08/96/134310896.db2.gz HJEVPXBAMZAOJM-QWRGUYRKSA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000178761505 134310895 /nfs/dbraw/zinc/31/08/95/134310895.db2.gz HJEVPXBAMZAOJM-QWRGUYRKSA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000178761519 346965218 /nfs/dbraw/zinc/96/52/18/346965218.db2.gz HJEVPXBAMZAOJM-WDEREUQCSA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000178761519 346965213 /nfs/dbraw/zinc/96/52/13/346965213.db2.gz HJEVPXBAMZAOJM-WDEREUQCSA-N 2 1 241.335 -0.425 20 0 BBADMP C[NH2+]C[C@H](C)C(=O)NCC[N@@H+](C)CCCOC ZINC000178811343 134315004 /nfs/dbraw/zinc/31/50/04/134315004.db2.gz AQXRUBGURHOITE-NSHDSACASA-N 2 1 245.367 -0.074 20 0 BBADMP C[NH2+]C[C@@H](C)C(=O)NCC[N@@H+](C)CCCOC ZINC000178811347 134315683 /nfs/dbraw/zinc/31/56/83/134315683.db2.gz AQXRUBGURHOITE-LLVKDONJSA-N 2 1 245.367 -0.074 20 0 BBADMP COCCC[N@@H+](C)CCNC(=O)[C@H](C)[NH3+] ZINC000178811371 536506686 /nfs/dbraw/zinc/50/66/86/536506686.db2.gz DABQNNPIVTYYMJ-VIFPVBQESA-N 2 1 217.313 -0.582 20 0 BBADMP C[C@@H]1CN(C(=O)CC[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000178862082 134315743 /nfs/dbraw/zinc/31/57/43/134315743.db2.gz NTMSSUKKILRIFT-MNOVXSKESA-N 2 1 241.335 -0.486 20 0 BBADMP C[C@H]1CN(C(=O)CC[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000178862090 134315717 /nfs/dbraw/zinc/31/57/17/134315717.db2.gz NTMSSUKKILRIFT-QWRGUYRKSA-N 2 1 241.335 -0.486 20 0 BBADMP C[C@@H]1CN(C(=O)CC[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000178862101 134315739 /nfs/dbraw/zinc/31/57/39/134315739.db2.gz NTMSSUKKILRIFT-GHMZBOCLSA-N 2 1 241.335 -0.486 20 0 BBADMP C[C@H]1CN(C(=O)CC[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000178862111 134315485 /nfs/dbraw/zinc/31/54/85/134315485.db2.gz NTMSSUKKILRIFT-WDEREUQCSA-N 2 1 241.335 -0.486 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH2+]C2)C1 ZINC000179094196 134314708 /nfs/dbraw/zinc/31/47/08/134314708.db2.gz NBJQVRXKLHTKIQ-MNOVXSKESA-N 2 1 241.335 -0.473 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH2+]C2)C1 ZINC000179094196 134314707 /nfs/dbraw/zinc/31/47/07/134314707.db2.gz NBJQVRXKLHTKIQ-MNOVXSKESA-N 2 1 241.335 -0.473 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH2+]C2)C1 ZINC000179094206 134314504 /nfs/dbraw/zinc/31/45/04/134314504.db2.gz NBJQVRXKLHTKIQ-GHMZBOCLSA-N 2 1 241.335 -0.473 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH2+]C2)C1 ZINC000179094206 134314503 /nfs/dbraw/zinc/31/45/03/134314503.db2.gz NBJQVRXKLHTKIQ-GHMZBOCLSA-N 2 1 241.335 -0.473 20 0 BBADMP CC1(CNC(=O)[C@@H]2COCC[NH2+]2)CC[NH2+]CC1 ZINC000183355236 168035535 /nfs/dbraw/zinc/03/55/35/168035535.db2.gz RMXGQZTTXKSUJF-JTQLQIEISA-N 2 1 241.335 -0.519 20 0 BBADMP CC1(CNC(=O)[C@H]2COCC[NH2+]2)CC[NH2+]CC1 ZINC000183355257 168036316 /nfs/dbraw/zinc/03/63/16/168036316.db2.gz RMXGQZTTXKSUJF-SNVBAGLBSA-N 2 1 241.335 -0.519 20 0 BBADMP CC[NH+](CC)CC(=O)NCC[N@@H+](CC)CCO ZINC000183930961 388572075 /nfs/dbraw/zinc/57/20/75/388572075.db2.gz ABJPITXNKRUVTM-UHFFFAOYSA-N 2 1 245.367 -0.241 20 0 BBADMP CC[C@@H](C(=O)NCC[N@@H+](CC)CCO)[NH+](C)C ZINC000183966478 388573592 /nfs/dbraw/zinc/57/35/92/388573592.db2.gz ZGVOPOIGLMDLTN-NSHDSACASA-N 2 1 245.367 -0.243 20 0 BBADMP CC[C@H](C(=O)NCC[N@@H+](CC)CCO)[NH+](C)C ZINC000183966495 388573434 /nfs/dbraw/zinc/57/34/34/388573434.db2.gz ZGVOPOIGLMDLTN-LLVKDONJSA-N 2 1 245.367 -0.243 20 0 BBADMP CC[NH+](CCO)CCNC(=O)C[N@@H+](C)C(C)C ZINC000183979527 388573056 /nfs/dbraw/zinc/57/30/56/388573056.db2.gz CHBKENGYUFDKDX-UHFFFAOYSA-N 2 1 245.367 -0.243 20 0 BBADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000185135864 536370446 /nfs/dbraw/zinc/37/04/46/536370446.db2.gz WPEVFRWODQXXJN-IJLUTSLNSA-N 2 1 228.336 -0.102 20 0 BBADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000185135864 536370444 /nfs/dbraw/zinc/37/04/44/536370444.db2.gz WPEVFRWODQXXJN-IJLUTSLNSA-N 2 1 228.336 -0.102 20 0 BBADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H](O)C[C@@H]1CO ZINC000185135864 536370443 /nfs/dbraw/zinc/37/04/43/536370443.db2.gz WPEVFRWODQXXJN-IJLUTSLNSA-N 2 1 228.336 -0.102 20 0 BBADMP OC[C@H]1C[C@@H](O)C[N@H+]1CCC[NH+]1CCCC1 ZINC000185145629 134372005 /nfs/dbraw/zinc/37/20/05/134372005.db2.gz DELFRKGBAFIROK-VXGBXAGGSA-N 2 1 228.336 -0.100 20 0 BBADMP OC[C@H]1C[C@@H](O)C[N@@H+]1CCC[NH+]1CCCC1 ZINC000185145629 134372004 /nfs/dbraw/zinc/37/20/04/134372004.db2.gz DELFRKGBAFIROK-VXGBXAGGSA-N 2 1 228.336 -0.100 20 0 BBADMP OC[C@H]1C[C@H](O)C[N@H+]1CCC[NH+]1CCCC1 ZINC000185145648 134371959 /nfs/dbraw/zinc/37/19/59/134371959.db2.gz DELFRKGBAFIROK-NEPJUHHUSA-N 2 1 228.336 -0.100 20 0 BBADMP OC[C@H]1C[C@H](O)C[N@@H+]1CCC[NH+]1CCCC1 ZINC000185145648 134371958 /nfs/dbraw/zinc/37/19/58/134371958.db2.gz DELFRKGBAFIROK-NEPJUHHUSA-N 2 1 228.336 -0.100 20 0 BBADMP OC[C@@H]1C[C@H](O)C[N@H+]1CCC[NH+]1CCCC1 ZINC000186484708 387098225 /nfs/dbraw/zinc/09/82/25/387098225.db2.gz DELFRKGBAFIROK-RYUDHWBXSA-N 2 1 228.336 -0.100 20 0 BBADMP OC[C@@H]1C[C@H](O)C[N@@H+]1CCC[NH+]1CCCC1 ZINC000186484708 387098220 /nfs/dbraw/zinc/09/82/20/387098220.db2.gz DELFRKGBAFIROK-RYUDHWBXSA-N 2 1 228.336 -0.100 20 0 BBADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186542993 173052619 /nfs/dbraw/zinc/05/26/19/173052619.db2.gz WPEVFRWODQXXJN-SRVKXCTJSA-N 2 1 228.336 -0.102 20 0 BBADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186542993 173052616 /nfs/dbraw/zinc/05/26/16/173052616.db2.gz WPEVFRWODQXXJN-SRVKXCTJSA-N 2 1 228.336 -0.102 20 0 BBADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@@H](O)C[C@H]1CO ZINC000186542993 173052615 /nfs/dbraw/zinc/05/26/15/173052615.db2.gz WPEVFRWODQXXJN-SRVKXCTJSA-N 2 1 228.336 -0.102 20 0 BBADMP CC[N@@H+](CCO)CCNC1CC[NH+](C)CC1 ZINC000186578509 398069238 /nfs/dbraw/zinc/06/92/38/398069238.db2.gz MSCPYBLMFUNIIK-UHFFFAOYSA-N 2 1 229.368 -0.016 20 0 BBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1COCC[NH2+]1 ZINC000186718722 176184889 /nfs/dbraw/zinc/18/48/89/176184889.db2.gz NSVHVRGYTXEOFB-UTLUCORTSA-N 2 1 227.308 -0.911 20 0 BBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1COCC[NH2+]1 ZINC000186718752 176186546 /nfs/dbraw/zinc/18/65/46/176186546.db2.gz NSVHVRGYTXEOFB-BBBLOLIVSA-N 2 1 227.308 -0.911 20 0 BBADMP CNS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000187170204 538975857 /nfs/dbraw/zinc/97/58/57/538975857.db2.gz SXXCQHTXEJLUGI-NXEZZACHSA-N 2 1 249.380 -0.392 20 0 BBADMP CNS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000187170204 538975856 /nfs/dbraw/zinc/97/58/56/538975856.db2.gz SXXCQHTXEJLUGI-NXEZZACHSA-N 2 1 249.380 -0.392 20 0 BBADMP CNS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000187170220 538975938 /nfs/dbraw/zinc/97/59/38/538975938.db2.gz SXXCQHTXEJLUGI-VHSXEESVSA-N 2 1 249.380 -0.392 20 0 BBADMP CNS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000187170220 538975936 /nfs/dbraw/zinc/97/59/36/538975936.db2.gz SXXCQHTXEJLUGI-VHSXEESVSA-N 2 1 249.380 -0.392 20 0 BBADMP CNS(=O)(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000187170240 538975978 /nfs/dbraw/zinc/97/59/78/538975978.db2.gz SXXCQHTXEJLUGI-ZJUUUORDSA-N 2 1 249.380 -0.392 20 0 BBADMP CNS(=O)(=O)CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000187170240 538975976 /nfs/dbraw/zinc/97/59/76/538975976.db2.gz SXXCQHTXEJLUGI-ZJUUUORDSA-N 2 1 249.380 -0.392 20 0 BBADMP CNS(=O)(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000187170256 538976027 /nfs/dbraw/zinc/97/60/27/538976027.db2.gz SXXCQHTXEJLUGI-UWVGGRQHSA-N 2 1 249.380 -0.392 20 0 BBADMP CNS(=O)(=O)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000187170256 538976025 /nfs/dbraw/zinc/97/60/25/538976025.db2.gz SXXCQHTXEJLUGI-UWVGGRQHSA-N 2 1 249.380 -0.392 20 0 BBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H]2CCC[N@H+]2C)C1 ZINC000187928178 387221642 /nfs/dbraw/zinc/22/16/42/387221642.db2.gz NUHZZGOIMBEANA-OUAUKWLOSA-N 2 1 241.335 -0.426 20 0 BBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000187928208 387221775 /nfs/dbraw/zinc/22/17/75/387221775.db2.gz NUHZZGOIMBEANA-GARJFASQSA-N 2 1 241.335 -0.426 20 0 BBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC(F)(F)C[NH3+])C1 ZINC000187986437 387252396 /nfs/dbraw/zinc/25/23/96/387252396.db2.gz YSPDJCLZBHADHT-NKWVEPMBSA-N 2 1 237.250 -0.927 20 0 BBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000188088885 170015152 /nfs/dbraw/zinc/01/51/52/170015152.db2.gz QZJRKEOBWBDGEO-GHMZBOCLSA-N 2 1 241.335 -0.567 20 0 BBADMP CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000188119996 384362574 /nfs/dbraw/zinc/36/25/74/384362574.db2.gz KOLFBWSSODPGSY-WDEREUQCSA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000188120021 384361920 /nfs/dbraw/zinc/36/19/20/384361920.db2.gz KOLFBWSSODPGSY-GHMZBOCLSA-N 2 1 241.335 -0.425 20 0 BBADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000188134668 487679565 /nfs/dbraw/zinc/67/95/65/487679565.db2.gz WQKUTXYDDQANCM-GHMZBOCLSA-N 2 1 241.335 -0.567 20 0 BBADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000188134690 487679469 /nfs/dbraw/zinc/67/94/69/487679469.db2.gz WQKUTXYDDQANCM-WDEREUQCSA-N 2 1 241.335 -0.567 20 0 BBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000188157527 384366010 /nfs/dbraw/zinc/36/60/10/384366010.db2.gz QBQLRKFMVZDPRT-GHMZBOCLSA-N 2 1 243.351 -0.179 20 0 BBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000188157547 171306584 /nfs/dbraw/zinc/30/65/84/171306584.db2.gz QBQLRKFMVZDPRT-WDEREUQCSA-N 2 1 243.351 -0.179 20 0 BBADMP C[C@@H](CNC(=O)[C@H]1C[NH2+]CCO1)[N@@H+](C)C1CC1 ZINC000188167104 384368344 /nfs/dbraw/zinc/36/83/44/384368344.db2.gz GIHCSOOJIDKGMK-GXSJLCMTSA-N 2 1 241.335 -0.426 20 0 BBADMP C[C@H](CNC(=O)[C@H]1C[NH2+]CCO1)[N@@H+](C)C1CC1 ZINC000188167128 384370213 /nfs/dbraw/zinc/37/02/13/384370213.db2.gz GIHCSOOJIDKGMK-MWLCHTKSSA-N 2 1 241.335 -0.426 20 0 BBADMP CCC[N@@H+](CC)CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000188249906 169121822 /nfs/dbraw/zinc/12/18/22/169121822.db2.gz FFHATRFRXJQIDT-LLVKDONJSA-N 2 1 243.351 -0.177 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000188395225 357529610 /nfs/dbraw/zinc/52/96/10/357529610.db2.gz ROKJBKOEZMBSPR-MNOVXSKESA-N 2 1 241.335 -0.473 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000188395225 357529607 /nfs/dbraw/zinc/52/96/07/357529607.db2.gz ROKJBKOEZMBSPR-MNOVXSKESA-N 2 1 241.335 -0.473 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000188395249 357530131 /nfs/dbraw/zinc/53/01/31/357530131.db2.gz ROKJBKOEZMBSPR-GHMZBOCLSA-N 2 1 241.335 -0.473 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000188395249 357530128 /nfs/dbraw/zinc/53/01/28/357530128.db2.gz ROKJBKOEZMBSPR-GHMZBOCLSA-N 2 1 241.335 -0.473 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188736259 357566985 /nfs/dbraw/zinc/56/69/85/357566985.db2.gz HAOCVMCPVCHJLI-IVZWLZJFSA-N 2 1 229.299 -0.103 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188736279 357566867 /nfs/dbraw/zinc/56/68/67/357566867.db2.gz HAOCVMCPVCHJLI-LPEHRKFASA-N 2 1 229.299 -0.103 20 0 BBADMP CC[N@@H+](C)CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188744201 357566995 /nfs/dbraw/zinc/56/69/95/357566995.db2.gz ZAYDQHBDIPLPIF-DTWKUNHWSA-N 2 1 217.288 -0.246 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188750949 357567051 /nfs/dbraw/zinc/56/70/51/357567051.db2.gz FNAWOLYZBPUNQC-VHSXEESVSA-N 2 1 247.314 -0.619 20 0 BBADMP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000188763990 387080182 /nfs/dbraw/zinc/08/01/82/387080182.db2.gz XDLFXZZWRMHXKP-HBNTYKKESA-N 2 1 241.310 -0.007 20 0 BBADMP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000188764015 387080892 /nfs/dbraw/zinc/08/08/92/387080892.db2.gz XDLFXZZWRMHXKP-GARJFASQSA-N 2 1 241.310 -0.007 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188802364 353266547 /nfs/dbraw/zinc/26/65/47/353266547.db2.gz ZYYPGFZITHTJCW-NTSWFWBYSA-N 2 1 225.214 -0.603 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)C[NH2+]C1CC1 ZINC000190188518 385750439 /nfs/dbraw/zinc/75/04/39/385750439.db2.gz SCTRRPUWCNQBIA-UHFFFAOYSA-N 2 1 207.224 -0.551 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000190224871 353352556 /nfs/dbraw/zinc/35/25/56/353352556.db2.gz CFBPXQBMQDXKHT-ZETCQYMHSA-N 2 1 225.214 -0.602 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000190224885 353352452 /nfs/dbraw/zinc/35/24/52/353352452.db2.gz CFBPXQBMQDXKHT-SSDOTTSWSA-N 2 1 225.214 -0.602 20 0 BBADMP C[NH2+]C[C@H](C)C(=O)NCC(F)(F)C[NH3+] ZINC000190245553 356436893 /nfs/dbraw/zinc/43/68/93/356436893.db2.gz OWFSABAYMSCQKT-LURJTMIESA-N 2 1 209.240 -0.448 20 0 BBADMP C[NH2+]C[C@@H](C)C(=O)NCC(F)(F)C[NH3+] ZINC000190245571 356436770 /nfs/dbraw/zinc/43/67/70/356436770.db2.gz OWFSABAYMSCQKT-ZCFIWIBFSA-N 2 1 209.240 -0.448 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000190267713 181357216 /nfs/dbraw/zinc/35/72/16/181357216.db2.gz ILUHVLJDRBKKQY-ZETCQYMHSA-N 2 1 221.251 -0.161 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000190267725 181356786 /nfs/dbraw/zinc/35/67/86/181356786.db2.gz ILUHVLJDRBKKQY-SSDOTTSWSA-N 2 1 221.251 -0.161 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000190269047 356437671 /nfs/dbraw/zinc/43/76/71/356437671.db2.gz QQNXKFWDCKFXAB-ZCFIWIBFSA-N 2 1 207.224 -0.551 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000190269060 353386103 /nfs/dbraw/zinc/38/61/03/353386103.db2.gz QQNXKFWDCKFXAB-LURJTMIESA-N 2 1 207.224 -0.551 20 0 BBADMP C[NH2+]CCCC(=O)NCC(F)(F)C[NH3+] ZINC000190287479 398099499 /nfs/dbraw/zinc/09/94/99/398099499.db2.gz GWMBCPQGSADGIC-UHFFFAOYSA-N 2 1 209.240 -0.304 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000190287556 181357371 /nfs/dbraw/zinc/35/73/71/181357371.db2.gz KAFOJYUNUGHCIM-SSDOTTSWSA-N 2 1 221.251 -0.161 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000190287573 181357634 /nfs/dbraw/zinc/35/76/34/181357634.db2.gz KAFOJYUNUGHCIM-ZETCQYMHSA-N 2 1 221.251 -0.161 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)C[NH2+]CC1CC1 ZINC000190307334 181356844 /nfs/dbraw/zinc/35/68/44/181356844.db2.gz GTHLMANZYVVGSO-UHFFFAOYSA-N 2 1 221.251 -0.304 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000190325383 181357067 /nfs/dbraw/zinc/35/70/67/181357067.db2.gz MRRPYAZZTFDUKD-SSDOTTSWSA-N 2 1 221.251 -0.304 20 0 BBADMP C[C@H](O)C[N@@H+](Cc1c[nH]cn1)[C@@H](C)CO ZINC000191223465 357759095 /nfs/dbraw/zinc/75/90/95/357759095.db2.gz GLYDFDXTJHDPLB-IUCAKERBSA-N 2 1 213.281 -0.027 20 0 BBADMP C[C@@H](O)C[N@@H+](Cc1c[nH]cn1)[C@@H](C)CO ZINC000191223484 357759164 /nfs/dbraw/zinc/75/91/64/357759164.db2.gz GLYDFDXTJHDPLB-DTWKUNHWSA-N 2 1 213.281 -0.027 20 0 BBADMP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000191334382 353461229 /nfs/dbraw/zinc/46/12/29/353461229.db2.gz GCODELWWFNMWPG-SFYZADRCSA-N 2 1 215.322 -0.401 20 0 BBADMP [NH3+][C@@H]1CCCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000191334399 353461223 /nfs/dbraw/zinc/46/12/23/353461223.db2.gz GCODELWWFNMWPG-HTQZYQBOSA-N 2 1 215.322 -0.401 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000191338742 353461154 /nfs/dbraw/zinc/46/11/54/353461154.db2.gz VMJDFVPYXDNJJV-MNOVXSKESA-N 2 1 241.335 -0.343 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000191338742 353461153 /nfs/dbraw/zinc/46/11/53/353461153.db2.gz VMJDFVPYXDNJJV-MNOVXSKESA-N 2 1 241.335 -0.343 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000191338760 353461124 /nfs/dbraw/zinc/46/11/24/353461124.db2.gz VMJDFVPYXDNJJV-GHMZBOCLSA-N 2 1 241.335 -0.343 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000191338760 353461122 /nfs/dbraw/zinc/46/11/22/353461122.db2.gz VMJDFVPYXDNJJV-GHMZBOCLSA-N 2 1 241.335 -0.343 20 0 BBADMP COCC[NH+]1CCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000192090982 641960239 /nfs/dbraw/zinc/96/02/39/641960239.db2.gz DVGMZRRTZMEWEB-WDEREUQCSA-N 2 1 243.351 -0.240 20 0 BBADMP COCC[NH+]1CCN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000192090989 641960723 /nfs/dbraw/zinc/96/07/23/641960723.db2.gz DVGMZRRTZMEWEB-GHMZBOCLSA-N 2 1 243.351 -0.240 20 0 BBADMP COCC[NH+]1CCN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000192090994 641960504 /nfs/dbraw/zinc/96/05/04/641960504.db2.gz DVGMZRRTZMEWEB-QWRGUYRKSA-N 2 1 243.351 -0.240 20 0 BBADMP COCC[NH+]1CCN(C(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000192090999 174307945 /nfs/dbraw/zinc/30/79/45/174307945.db2.gz DVGMZRRTZMEWEB-MNOVXSKESA-N 2 1 243.351 -0.240 20 0 BBADMP C[NH2+]CC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000193144049 356722234 /nfs/dbraw/zinc/72/22/34/356722234.db2.gz GBQYCDBHKHFFBW-ZJUUUORDSA-N 2 1 211.309 -0.242 20 0 BBADMP C[NH2+]CC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000193144061 173327269 /nfs/dbraw/zinc/32/72/69/173327269.db2.gz GBQYCDBHKHFFBW-UWVGGRQHSA-N 2 1 211.309 -0.242 20 0 BBADMP C[NH2+]CC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000193144076 356722132 /nfs/dbraw/zinc/72/21/32/356722132.db2.gz GBQYCDBHKHFFBW-NXEZZACHSA-N 2 1 211.309 -0.242 20 0 BBADMP C[NH2+]CC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000193144089 356722198 /nfs/dbraw/zinc/72/21/98/356722198.db2.gz GBQYCDBHKHFFBW-VHSXEESVSA-N 2 1 211.309 -0.242 20 0 BBADMP COCC[NH+]1CCN(C(=O)CC[C@H](C)[NH3+])CC1 ZINC000193293688 353589207 /nfs/dbraw/zinc/58/92/07/353589207.db2.gz DCLKMTHJFDFYQT-NSHDSACASA-N 2 1 243.351 -0.096 20 0 BBADMP COCC[NH+]1CCN(C(=O)CC[C@@H](C)[NH3+])CC1 ZINC000193293702 353589311 /nfs/dbraw/zinc/58/93/11/353589311.db2.gz DCLKMTHJFDFYQT-LLVKDONJSA-N 2 1 243.351 -0.096 20 0 BBADMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1COCC[NH2+]1 ZINC000193545623 385400276 /nfs/dbraw/zinc/40/02/76/385400276.db2.gz HGMXDSITJNZRSK-AEJSXWLSSA-N 2 1 227.308 -0.769 20 0 BBADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1COCC[NH2+]1 ZINC000193545649 353600222 /nfs/dbraw/zinc/60/02/22/353600222.db2.gz HGMXDSITJNZRSK-GUBZILKMSA-N 2 1 227.308 -0.769 20 0 BBADMP C[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C)C2)C1 ZINC000193591702 367193845 /nfs/dbraw/zinc/19/38/45/367193845.db2.gz PSWUIKIPRRAYEI-AOOOYVTPSA-N 2 1 226.324 -0.306 20 0 BBADMP C[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C)C2)C1 ZINC000193591702 367193838 /nfs/dbraw/zinc/19/38/38/367193838.db2.gz PSWUIKIPRRAYEI-AOOOYVTPSA-N 2 1 226.324 -0.306 20 0 BBADMP C[NH+]1CC[C@@H](NC(=O)N[C@H]2CC[N@H+](C)C2)C1 ZINC000193591702 367193827 /nfs/dbraw/zinc/19/38/27/367193827.db2.gz PSWUIKIPRRAYEI-AOOOYVTPSA-N 2 1 226.324 -0.306 20 0 BBADMP C[C@@H](C(=O)N(C)C)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193628269 387860172 /nfs/dbraw/zinc/86/01/72/387860172.db2.gz RIVLGRSLQRWOKC-GARJFASQSA-N 2 1 225.336 -0.044 20 0 BBADMP C[C@H](C(=O)N(C)C)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193628281 387859745 /nfs/dbraw/zinc/85/97/45/387859745.db2.gz RIVLGRSLQRWOKC-MXWKQRLJSA-N 2 1 225.336 -0.044 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH3+])C1 ZINC000194952539 388458761 /nfs/dbraw/zinc/45/87/61/388458761.db2.gz WJIHINCVJORGKQ-BDAKNGLRSA-N 2 1 215.297 -0.830 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH3+])C1 ZINC000194952539 388458759 /nfs/dbraw/zinc/45/87/59/388458759.db2.gz WJIHINCVJORGKQ-BDAKNGLRSA-N 2 1 215.297 -0.830 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH3+])C1 ZINC000194952555 388458681 /nfs/dbraw/zinc/45/86/81/388458681.db2.gz WJIHINCVJORGKQ-RKDXNWHRSA-N 2 1 215.297 -0.830 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH3+])C1 ZINC000194952555 388458680 /nfs/dbraw/zinc/45/86/80/388458680.db2.gz WJIHINCVJORGKQ-RKDXNWHRSA-N 2 1 215.297 -0.830 20 0 BBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H](C)[NH3+])C1 ZINC000195136444 353726011 /nfs/dbraw/zinc/72/60/11/353726011.db2.gz ULNDKHGSACLMAZ-WDEREUQCSA-N 2 1 243.351 -0.193 20 0 BBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H](C)[NH3+])C1 ZINC000195136455 353725998 /nfs/dbraw/zinc/72/59/98/353725998.db2.gz ULNDKHGSACLMAZ-QWRGUYRKSA-N 2 1 243.351 -0.193 20 0 BBADMP CC(C)[C@H](CNC(=O)[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000195145799 353728297 /nfs/dbraw/zinc/72/82/97/353728297.db2.gz AFNIZXZNQUPMHQ-QWRGUYRKSA-N 2 1 243.351 -0.193 20 0 BBADMP CC(C)[C@@H](CNC(=O)[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000195145807 135660208 /nfs/dbraw/zinc/66/02/08/135660208.db2.gz AFNIZXZNQUPMHQ-WDEREUQCSA-N 2 1 243.351 -0.193 20 0 BBADMP C[NH+](C)C1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000195355279 388162712 /nfs/dbraw/zinc/16/27/12/388162712.db2.gz PMTMOQODVYKGON-UHFFFAOYSA-N 2 1 242.323 -0.403 20 0 BBADMP C[NH+]1CCC(C[N@H+]2CCNC(=O)C2)CC1 ZINC000201332821 589082329 /nfs/dbraw/zinc/08/23/29/589082329.db2.gz YCVBWGHPKMQWPB-UHFFFAOYSA-N 2 1 211.309 -0.240 20 0 BBADMP C[NH+]1CCC(C[N@@H+]2CCNC(=O)C2)CC1 ZINC000201332821 589082327 /nfs/dbraw/zinc/08/23/27/589082327.db2.gz YCVBWGHPKMQWPB-UHFFFAOYSA-N 2 1 211.309 -0.240 20 0 BBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000201456523 386561413 /nfs/dbraw/zinc/56/14/13/386561413.db2.gz ROMKZEIUQHHPGR-VHSXEESVSA-N 2 1 211.309 -0.112 20 0 BBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000208784488 388508061 /nfs/dbraw/zinc/50/80/61/388508061.db2.gz ROMKZEIUQHHPGR-ZJUUUORDSA-N 2 1 211.309 -0.112 20 0 BBADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000208784516 388508020 /nfs/dbraw/zinc/50/80/20/388508020.db2.gz ROMKZEIUQHHPGR-UWVGGRQHSA-N 2 1 211.309 -0.112 20 0 BBADMP C[NH+]1CCN(C(=O)CCC2C[NH2+]C2)CC1 ZINC000211506132 411136884 /nfs/dbraw/zinc/13/68/84/411136884.db2.gz JNWILXGIHHPGFV-UHFFFAOYSA-N 2 1 211.309 -0.240 20 0 BBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH2+]C1 ZINC000211637416 488067343 /nfs/dbraw/zinc/06/73/43/488067343.db2.gz IBOPFXFGKDEKBE-SNVBAGLBSA-N 2 1 211.309 -0.194 20 0 BBADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH2+]C1 ZINC000211637489 411138447 /nfs/dbraw/zinc/13/84/47/411138447.db2.gz IBOPFXFGKDEKBE-JTQLQIEISA-N 2 1 211.309 -0.194 20 0 BBADMP COC[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000212146971 345724534 /nfs/dbraw/zinc/72/45/34/345724534.db2.gz KBZCITJRGYNQAB-GFCCVEGCSA-N 2 1 243.351 -0.761 20 0 BBADMP COC[C@H]1C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000212146971 345724531 /nfs/dbraw/zinc/72/45/31/345724531.db2.gz KBZCITJRGYNQAB-GFCCVEGCSA-N 2 1 243.351 -0.761 20 0 BBADMP C[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000212430745 345734003 /nfs/dbraw/zinc/73/40/03/345734003.db2.gz HXTXXEOPIAPVCU-SNVBAGLBSA-N 2 1 211.309 -0.099 20 0 BBADMP C[NH2+]CC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000212430819 344144966 /nfs/dbraw/zinc/14/49/66/344144966.db2.gz HXTXXEOPIAPVCU-JTQLQIEISA-N 2 1 211.309 -0.099 20 0 BBADMP C[NH+]1CCN(C(=O)COC2(C)C[NH2+]C2)CC1 ZINC000214792008 411299510 /nfs/dbraw/zinc/29/95/10/411299510.db2.gz VXFTTWNUGWVKHK-UHFFFAOYSA-N 2 1 227.308 -0.861 20 0 BBADMP COCCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000216156223 411232134 /nfs/dbraw/zinc/23/21/34/411232134.db2.gz YLTSFWFKQLLSED-GHMZBOCLSA-N 2 1 243.351 -0.192 20 0 BBADMP COCCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000216156223 411232131 /nfs/dbraw/zinc/23/21/31/411232131.db2.gz YLTSFWFKQLLSED-GHMZBOCLSA-N 2 1 243.351 -0.192 20 0 BBADMP COCCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000216156267 411341432 /nfs/dbraw/zinc/34/14/32/411341432.db2.gz YLTSFWFKQLLSED-WDEREUQCSA-N 2 1 243.351 -0.192 20 0 BBADMP COCCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000216156267 411341427 /nfs/dbraw/zinc/34/14/27/411341427.db2.gz YLTSFWFKQLLSED-WDEREUQCSA-N 2 1 243.351 -0.192 20 0 BBADMP COCCCNC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000216156311 411340641 /nfs/dbraw/zinc/34/06/41/411340641.db2.gz YLTSFWFKQLLSED-MNOVXSKESA-N 2 1 243.351 -0.192 20 0 BBADMP COCCCNC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000216156311 411340638 /nfs/dbraw/zinc/34/06/38/411340638.db2.gz YLTSFWFKQLLSED-MNOVXSKESA-N 2 1 243.351 -0.192 20 0 BBADMP COCCCNC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000216156357 411340898 /nfs/dbraw/zinc/34/08/98/411340898.db2.gz YLTSFWFKQLLSED-QWRGUYRKSA-N 2 1 243.351 -0.192 20 0 BBADMP COCCCNC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000216156357 411340895 /nfs/dbraw/zinc/34/08/95/411340895.db2.gz YLTSFWFKQLLSED-QWRGUYRKSA-N 2 1 243.351 -0.192 20 0 BBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000217186483 134229821 /nfs/dbraw/zinc/22/98/21/134229821.db2.gz CPLACDYLIFCCHG-IEBDPFPHSA-N 2 1 239.319 -0.938 20 0 BBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000217186493 134229809 /nfs/dbraw/zinc/22/98/09/134229809.db2.gz CPLACDYLIFCCHG-DVVUODLYSA-N 2 1 239.319 -0.938 20 0 BBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000217186496 134229843 /nfs/dbraw/zinc/22/98/43/134229843.db2.gz CPLACDYLIFCCHG-FBIMIBRVSA-N 2 1 239.319 -0.938 20 0 BBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217555347 134248200 /nfs/dbraw/zinc/24/82/00/134248200.db2.gz NLJQYAHDORVIGG-SFYZADRCSA-N 2 1 228.296 -0.760 20 0 BBADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217555347 134248199 /nfs/dbraw/zinc/24/81/99/134248199.db2.gz NLJQYAHDORVIGG-SFYZADRCSA-N 2 1 228.296 -0.760 20 0 BBADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217555433 134248476 /nfs/dbraw/zinc/24/84/76/134248476.db2.gz NLJQYAHDORVIGG-YUMQZZPRSA-N 2 1 228.296 -0.760 20 0 BBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217555433 134248475 /nfs/dbraw/zinc/24/84/75/134248475.db2.gz NLJQYAHDORVIGG-YUMQZZPRSA-N 2 1 228.296 -0.760 20 0 BBADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2CCOC2)CCO1 ZINC000217738705 134250789 /nfs/dbraw/zinc/25/07/89/134250789.db2.gz LGMDLAXZXJXKPL-UWVGGRQHSA-N 2 1 200.282 -0.318 20 0 BBADMP [NH3+]C[C@H]1C[N@H+](C[C@@H]2CCOC2)CCO1 ZINC000217738705 134250788 /nfs/dbraw/zinc/25/07/88/134250788.db2.gz LGMDLAXZXJXKPL-UWVGGRQHSA-N 2 1 200.282 -0.318 20 0 BBADMP O=C([C@H]1CC[NH2+]C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000218260278 134252691 /nfs/dbraw/zinc/25/26/91/134252691.db2.gz ZQMWCKOJXCZEGG-WDEREUQCSA-N 2 1 223.320 -0.098 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)COC1(C)C[NH2+]C1 ZINC000219043345 412335881 /nfs/dbraw/zinc/33/58/81/412335881.db2.gz YMBWIGWANFPFRE-SNVBAGLBSA-N 2 1 241.335 -0.425 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)COC1(C)C[NH2+]C1 ZINC000219043434 412335832 /nfs/dbraw/zinc/33/58/32/412335832.db2.gz YMBWIGWANFPFRE-JTQLQIEISA-N 2 1 241.335 -0.425 20 0 BBADMP C[C@@H](CN1CCOCC1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000219097973 488043734 /nfs/dbraw/zinc/04/37/34/488043734.db2.gz DYWRDUYWKOQZLU-RYUDHWBXSA-N 2 1 227.352 -0.012 20 0 BBADMP C[C@H](CN1CCOCC1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000219098043 488043569 /nfs/dbraw/zinc/04/35/69/488043569.db2.gz DYWRDUYWKOQZLU-NEPJUHHUSA-N 2 1 227.352 -0.012 20 0 BBADMP CC[N@@H+](CCNC(=O)C[C@@H](C[NH3+])OC)C1CC1 ZINC000219243999 134276949 /nfs/dbraw/zinc/27/69/49/134276949.db2.gz SCQBNDNCNBGZHP-NSHDSACASA-N 2 1 243.351 -0.049 20 0 BBADMP CO[C@H](C[NH3+])CC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000219244334 134276975 /nfs/dbraw/zinc/27/69/75/134276975.db2.gz ZGRUIFRKQPIYQI-ONGXEEELSA-N 2 1 243.351 -0.051 20 0 BBADMP CO[C@@H](C[NH3+])CC(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000219244892 350118601 /nfs/dbraw/zinc/11/86/01/350118601.db2.gz NKONXZIMSKONTB-VHSXEESVSA-N 2 1 229.324 -0.487 20 0 BBADMP CO[C@@H](C[NH3+])CC(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000219244892 350118600 /nfs/dbraw/zinc/11/86/00/350118600.db2.gz NKONXZIMSKONTB-VHSXEESVSA-N 2 1 229.324 -0.487 20 0 BBADMP CO[C@H](C[NH3+])CC(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000219244956 350118783 /nfs/dbraw/zinc/11/87/83/350118783.db2.gz NKONXZIMSKONTB-UWVGGRQHSA-N 2 1 229.324 -0.487 20 0 BBADMP CO[C@H](C[NH3+])CC(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000219244956 350118780 /nfs/dbraw/zinc/11/87/80/350118780.db2.gz NKONXZIMSKONTB-UWVGGRQHSA-N 2 1 229.324 -0.487 20 0 BBADMP Cn1cc(C[NH+]2CCC(C[NH3+])CC2)nn1 ZINC000219453441 388592322 /nfs/dbraw/zinc/59/23/22/388592322.db2.gz UEFGXQXPYBXICC-UHFFFAOYSA-N 2 1 209.297 -0.014 20 0 BBADMP COCC[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000219944500 592265466 /nfs/dbraw/zinc/26/54/66/592265466.db2.gz YOKLHUPJIABSLE-MWLCHTKSSA-N 2 1 243.351 -0.051 20 0 BBADMP COCC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000219944527 592265750 /nfs/dbraw/zinc/26/57/50/592265750.db2.gz YOKLHUPJIABSLE-KOLCDFICSA-N 2 1 243.351 -0.051 20 0 BBADMP COCC[C@@H]([NH3+])C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000219944554 592265682 /nfs/dbraw/zinc/26/56/82/592265682.db2.gz YOKLHUPJIABSLE-GXSJLCMTSA-N 2 1 243.351 -0.051 20 0 BBADMP COCC[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000219944574 592265559 /nfs/dbraw/zinc/26/55/59/592265559.db2.gz YOKLHUPJIABSLE-ONGXEEELSA-N 2 1 243.351 -0.051 20 0 BBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]([NH3+])COC ZINC000220128217 134301153 /nfs/dbraw/zinc/30/11/53/134301153.db2.gz CFTAXFMIXAEVFM-ZJUUUORDSA-N 2 1 231.340 -0.193 20 0 BBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]([NH3+])COC ZINC000220128293 134301049 /nfs/dbraw/zinc/30/10/49/134301049.db2.gz CFTAXFMIXAEVFM-UWVGGRQHSA-N 2 1 231.340 -0.193 20 0 BBADMP COC[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000220190544 353820529 /nfs/dbraw/zinc/82/05/29/353820529.db2.gz UQRQHTBICXDBOQ-OUAUKWLOSA-N 2 1 241.335 -0.345 20 0 BBADMP COC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000220190623 353820426 /nfs/dbraw/zinc/82/04/26/353820426.db2.gz UQRQHTBICXDBOQ-VWYCJHECSA-N 2 1 241.335 -0.345 20 0 BBADMP COC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000220192924 353820481 /nfs/dbraw/zinc/82/04/81/353820481.db2.gz YXWLPHJLTADYSZ-DCAQKATOSA-N 2 1 241.335 -0.345 20 0 BBADMP COC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000220193009 353820375 /nfs/dbraw/zinc/82/03/75/353820375.db2.gz YXWLPHJLTADYSZ-AXFHLTTASA-N 2 1 241.335 -0.345 20 0 BBADMP NC(=O)[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000220358045 645889938 /nfs/dbraw/zinc/88/99/38/645889938.db2.gz IZHLWWFNEHEDGK-SNVBAGLBSA-N 2 1 211.309 -0.207 20 0 BBADMP NC(=O)[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000220358114 645889954 /nfs/dbraw/zinc/88/99/54/645889954.db2.gz IZHLWWFNEHEDGK-JTQLQIEISA-N 2 1 211.309 -0.207 20 0 BBADMP C[NH+](C)C/C=C/C(=O)N1CC[NH+](C)CC1 ZINC000220824309 350188135 /nfs/dbraw/zinc/18/81/35/350188135.db2.gz ZUKPVUFZZVBRMW-SNAWJCMRSA-N 2 1 211.309 -0.122 20 0 BBADMP COC[C@@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221156974 384090839 /nfs/dbraw/zinc/09/08/39/384090839.db2.gz DPYPIZYTGKQPTF-GHMZBOCLSA-N 2 1 243.351 -0.192 20 0 BBADMP COC[C@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221157029 384091052 /nfs/dbraw/zinc/09/10/52/384091052.db2.gz DPYPIZYTGKQPTF-WDEREUQCSA-N 2 1 243.351 -0.192 20 0 BBADMP CC[C@H](O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221173432 635323937 /nfs/dbraw/zinc/32/39/37/635323937.db2.gz IGXIOXYIODNASG-MNOVXSKESA-N 2 1 243.351 -0.456 20 0 BBADMP C[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221173513 636469922 /nfs/dbraw/zinc/46/99/22/636469922.db2.gz WQTMCTRXSQSJAS-NXEZZACHSA-N 2 1 229.324 -0.846 20 0 BBADMP C[C@H](O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221173574 636469400 /nfs/dbraw/zinc/46/94/00/636469400.db2.gz WQTMCTRXSQSJAS-VHSXEESVSA-N 2 1 229.324 -0.846 20 0 BBADMP C[NH+]1CCC([NH2+]C[C@@]2(O)CCOC2)CC1 ZINC000222423853 536344167 /nfs/dbraw/zinc/34/41/67/536344167.db2.gz DFFDHTDLONGKRI-NSHDSACASA-N 2 1 214.309 -0.178 20 0 BBADMP C[NH+]1CCC([NH2+]C[C@]2(O)CCOC2)CC1 ZINC000222423909 536344747 /nfs/dbraw/zinc/34/47/47/536344747.db2.gz DFFDHTDLONGKRI-LLVKDONJSA-N 2 1 214.309 -0.178 20 0 BBADMP C[C@@H]1C[C@@H](NC[C@@H](O)C[NH+](C)C)CC[N@H+]1C ZINC000223285133 388649453 /nfs/dbraw/zinc/64/94/53/388649453.db2.gz GAYLXNMEXHJJRP-GRYCIOLGSA-N 3 1 229.368 -0.019 20 0 BBADMP C[C@@H]1C[C@H](NC[C@@H](O)C[NH+](C)C)CC[N@H+]1C ZINC000223285252 323097304 /nfs/dbraw/zinc/09/73/04/323097304.db2.gz GAYLXNMEXHJJRP-IJLUTSLNSA-N 2 1 229.368 -0.019 20 0 BBADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@@H]1CCOC1 ZINC000223285686 134337924 /nfs/dbraw/zinc/33/79/24/134337924.db2.gz ICUUSDASINBOLX-HBNTYKKESA-N 2 1 216.325 -0.077 20 0 BBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](O)C[NH+](C)C ZINC000223286699 388649851 /nfs/dbraw/zinc/64/98/51/388649851.db2.gz MUKMVTBIJDXHGF-UTUOFQBUSA-N 3 1 229.368 -0.161 20 0 BBADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000223287743 134337749 /nfs/dbraw/zinc/33/77/49/134337749.db2.gz NUSZESGLKIOOIR-OPRDCNLKSA-N 2 1 204.314 -0.078 20 0 BBADMP CO[C@H](C)[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000223287862 536876724 /nfs/dbraw/zinc/87/67/24/536876724.db2.gz NUSZESGLKIOOIR-IVZWLZJFSA-N 2 1 204.314 -0.078 20 0 BBADMP COC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000223731614 134338951 /nfs/dbraw/zinc/33/89/51/134338951.db2.gz NRPFFVMDFYLCFP-HBNTYKKESA-N 2 1 216.325 -0.077 20 0 BBADMP COC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000223731668 134339117 /nfs/dbraw/zinc/33/91/17/134339117.db2.gz NRPFFVMDFYLCFP-AXFHLTTASA-N 2 1 216.325 -0.077 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000224045560 173030250 /nfs/dbraw/zinc/03/02/50/173030250.db2.gz RTZMMZGHSPZREK-ZJUUUORDSA-N 2 1 211.309 -0.051 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000224045611 173055391 /nfs/dbraw/zinc/05/53/91/173055391.db2.gz RTZMMZGHSPZREK-UWVGGRQHSA-N 2 1 211.309 -0.051 20 0 BBADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224225206 173288082 /nfs/dbraw/zinc/28/80/82/173288082.db2.gz CTXQBRQNCRJKOX-SFYZADRCSA-N 2 1 228.296 -0.889 20 0 BBADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224225206 173288081 /nfs/dbraw/zinc/28/80/81/173288081.db2.gz CTXQBRQNCRJKOX-SFYZADRCSA-N 2 1 228.296 -0.889 20 0 BBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224225253 173288423 /nfs/dbraw/zinc/28/84/23/173288423.db2.gz CTXQBRQNCRJKOX-YUMQZZPRSA-N 2 1 228.296 -0.889 20 0 BBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224225253 173288422 /nfs/dbraw/zinc/28/84/22/173288422.db2.gz CTXQBRQNCRJKOX-YUMQZZPRSA-N 2 1 228.296 -0.889 20 0 BBADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224225596 170077216 /nfs/dbraw/zinc/07/72/16/170077216.db2.gz FVQLPMJFRIVRDI-BDAKNGLRSA-N 2 1 242.323 -0.499 20 0 BBADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224225596 170077215 /nfs/dbraw/zinc/07/72/15/170077215.db2.gz FVQLPMJFRIVRDI-BDAKNGLRSA-N 2 1 242.323 -0.499 20 0 BBADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224225654 170078487 /nfs/dbraw/zinc/07/84/87/170078487.db2.gz FVQLPMJFRIVRDI-IUCAKERBSA-N 2 1 242.323 -0.499 20 0 BBADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224225654 170078485 /nfs/dbraw/zinc/07/84/85/170078485.db2.gz FVQLPMJFRIVRDI-IUCAKERBSA-N 2 1 242.323 -0.499 20 0 BBADMP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224226585 640603617 /nfs/dbraw/zinc/60/36/17/640603617.db2.gz GVNSVPPHYUDOJA-IUCAKERBSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224226585 640603614 /nfs/dbraw/zinc/60/36/14/640603614.db2.gz GVNSVPPHYUDOJA-IUCAKERBSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224226635 640604255 /nfs/dbraw/zinc/60/42/55/640604255.db2.gz GVNSVPPHYUDOJA-BDAKNGLRSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224226635 640604251 /nfs/dbraw/zinc/60/42/51/640604251.db2.gz GVNSVPPHYUDOJA-BDAKNGLRSA-N 2 1 211.309 -0.066 20 0 BBADMP COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224226828 134345380 /nfs/dbraw/zinc/34/53/80/134345380.db2.gz ZLKYNZNFYDJRDP-MNOVXSKESA-N 2 1 243.351 -0.192 20 0 BBADMP COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224226828 134345379 /nfs/dbraw/zinc/34/53/79/134345379.db2.gz ZLKYNZNFYDJRDP-MNOVXSKESA-N 2 1 243.351 -0.192 20 0 BBADMP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224226882 134345735 /nfs/dbraw/zinc/34/57/35/134345735.db2.gz ZLKYNZNFYDJRDP-QWRGUYRKSA-N 2 1 243.351 -0.192 20 0 BBADMP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224226882 134345734 /nfs/dbraw/zinc/34/57/34/134345734.db2.gz ZLKYNZNFYDJRDP-QWRGUYRKSA-N 2 1 243.351 -0.192 20 0 BBADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000224295369 384352900 /nfs/dbraw/zinc/35/29/00/384352900.db2.gz XARKYGPWPNDGMH-IUCAKERBSA-N 2 1 242.323 -0.369 20 0 BBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000224295423 384350909 /nfs/dbraw/zinc/35/09/09/384350909.db2.gz XARKYGPWPNDGMH-BDAKNGLRSA-N 2 1 242.323 -0.369 20 0 BBADMP CC[C@@H]([NH3+])C(=O)NCC[NH+]1CCSCC1 ZINC000225288679 358247829 /nfs/dbraw/zinc/24/78/29/358247829.db2.gz VUBYVIBKQIJDKL-SECBINFHSA-N 2 1 231.365 -0.111 20 0 BBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C[NH2+]C1CC1 ZINC000225354050 358240609 /nfs/dbraw/zinc/24/06/09/358240609.db2.gz GVTBJUNPHAYMCJ-NSHDSACASA-N 2 1 240.351 -0.900 20 0 BBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000225354382 173074969 /nfs/dbraw/zinc/07/49/69/173074969.db2.gz LAKFYQQMXMSDRK-QWRGUYRKSA-N 2 1 240.351 -0.900 20 0 BBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=[NH2+])NC1CC1 ZINC000225363453 173072777 /nfs/dbraw/zinc/07/27/77/173072777.db2.gz IRDJYLAHAIDSFB-JTQLQIEISA-N 2 1 225.340 -0.491 20 0 BBADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H](O)COC)C1 ZINC000225484748 641709323 /nfs/dbraw/zinc/70/93/23/641709323.db2.gz COBKLAOLFBTIMP-WDEREUQCSA-N 2 1 216.325 -0.075 20 0 BBADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H](O)COC)C1 ZINC000225484786 633016514 /nfs/dbraw/zinc/01/65/14/633016514.db2.gz COBKLAOLFBTIMP-GHMZBOCLSA-N 2 1 216.325 -0.075 20 0 BBADMP COC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000225484935 641709524 /nfs/dbraw/zinc/70/95/24/641709524.db2.gz GXWLXIFWJVFUFW-UWVGGRQHSA-N 2 1 202.298 -0.336 20 0 BBADMP COC[C@H](O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000225484971 641709023 /nfs/dbraw/zinc/70/90/23/641709023.db2.gz GXWLXIFWJVFUFW-VHSXEESVSA-N 2 1 202.298 -0.336 20 0 BBADMP O=C([C@H]1CSC[NH2+]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000225524233 384867897 /nfs/dbraw/zinc/86/78/97/384867897.db2.gz PMKSUOBZDPXDFK-NXEZZACHSA-N 2 1 241.360 -0.045 20 0 BBADMP O=C([C@H]1CSC[NH2+]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000225524233 384867894 /nfs/dbraw/zinc/86/78/94/384867894.db2.gz PMKSUOBZDPXDFK-NXEZZACHSA-N 2 1 241.360 -0.045 20 0 BBADMP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000225524486 384868329 /nfs/dbraw/zinc/86/83/29/384868329.db2.gz RCZFMOCBPZKDKE-MXWKQRLJSA-N 2 1 239.319 -0.984 20 0 BBADMP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000225524515 388680008 /nfs/dbraw/zinc/68/00/08/388680008.db2.gz RCZFMOCBPZKDKE-GMTAPVOTSA-N 2 1 239.319 -0.984 20 0 BBADMP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000225524552 259363584 /nfs/dbraw/zinc/36/35/84/259363584.db2.gz RCZFMOCBPZKDKE-OUAUKWLOSA-N 2 1 239.319 -0.984 20 0 BBADMP CCOC[C@@H](O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000225865762 640713589 /nfs/dbraw/zinc/71/35/89/640713589.db2.gz HTQKYNJLUDTBTO-UWVGGRQHSA-N 2 1 202.298 -0.336 20 0 BBADMP CCOC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000225865779 640712778 /nfs/dbraw/zinc/71/27/78/640712778.db2.gz HTQKYNJLUDTBTO-VHSXEESVSA-N 2 1 202.298 -0.336 20 0 BBADMP CCOC[C@@H](O)C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000225866012 640712365 /nfs/dbraw/zinc/71/23/65/640712365.db2.gz OSMQDHRPHYJMTK-QWRGUYRKSA-N 2 1 216.325 -0.075 20 0 BBADMP CCOC[C@H](O)C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000225866026 640713335 /nfs/dbraw/zinc/71/33/35/640713335.db2.gz OSMQDHRPHYJMTK-WDEREUQCSA-N 2 1 216.325 -0.075 20 0 BBADMP COCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000226078680 635422476 /nfs/dbraw/zinc/42/24/76/635422476.db2.gz XAQSZTVUSLLWEI-VHSXEESVSA-N 2 1 229.324 -0.439 20 0 BBADMP COCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000226078691 635420910 /nfs/dbraw/zinc/42/09/10/635420910.db2.gz XAQSZTVUSLLWEI-UWVGGRQHSA-N 2 1 229.324 -0.439 20 0 BBADMP COCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000226078698 640727278 /nfs/dbraw/zinc/72/72/78/640727278.db2.gz XAQSZTVUSLLWEI-NXEZZACHSA-N 2 1 229.324 -0.439 20 0 BBADMP COCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000226078709 635422838 /nfs/dbraw/zinc/42/28/38/635422838.db2.gz XAQSZTVUSLLWEI-ZJUUUORDSA-N 2 1 229.324 -0.439 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)CN1CC[NH2+]CC1 ZINC000226081052 487656634 /nfs/dbraw/zinc/65/66/34/487656634.db2.gz GQELDIIARBWJCA-LLVKDONJSA-N 2 1 240.351 -0.898 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)CN1CC[NH2+]CC1 ZINC000226081065 487656179 /nfs/dbraw/zinc/65/61/79/487656179.db2.gz GQELDIIARBWJCA-NSHDSACASA-N 2 1 240.351 -0.898 20 0 BBADMP COC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000226083130 487656224 /nfs/dbraw/zinc/65/62/24/487656224.db2.gz ZLFWIOIOWAXDBN-IUCAKERBSA-N 2 1 215.297 -0.830 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000226084328 173032165 /nfs/dbraw/zinc/03/21/65/173032165.db2.gz SXIXARQOZNLNOK-GHMZBOCLSA-N 2 1 241.335 -0.425 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000226084344 173054161 /nfs/dbraw/zinc/05/41/61/173054161.db2.gz SXIXARQOZNLNOK-MNOVXSKESA-N 2 1 241.335 -0.425 20 0 BBADMP C[NH+]1CCC([NH2+]CCCNS(C)(=O)=O)CC1 ZINC000226312506 388349830 /nfs/dbraw/zinc/34/98/30/388349830.db2.gz UXVOIJUFZQWMJO-UHFFFAOYSA-N 2 1 249.380 -0.391 20 0 BBADMP [NH3+]C1(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000226389184 181325394 /nfs/dbraw/zinc/32/53/94/181325394.db2.gz PPPAZEQETCENAN-UHFFFAOYSA-N 2 1 229.349 -0.357 20 0 BBADMP CC(C)([NH3+])C(=O)NCC[NH+]1CCSCC1 ZINC000226389293 188080992 /nfs/dbraw/zinc/08/09/92/188080992.db2.gz WDEXNKVUYSZBQV-UHFFFAOYSA-N 2 1 231.365 -0.111 20 0 BBADMP C[NH2+]CC(=O)NCC[NH+]1CCSCC1 ZINC000226389847 173328381 /nfs/dbraw/zinc/32/83/81/173328381.db2.gz GJDMTMIPQPNLNW-UHFFFAOYSA-N 2 1 217.338 -0.629 20 0 BBADMP C[C@@H]([NH3+])C(=O)NCC[NH+]1CCSCC1 ZINC000226389868 388716989 /nfs/dbraw/zinc/71/69/89/388716989.db2.gz SUYJBPSAGOBFMY-MRVPVSSYSA-N 2 1 217.338 -0.501 20 0 BBADMP C[C@H]([NH3+])C(=O)NCC[NH+]1CCSCC1 ZINC000226389873 388717216 /nfs/dbraw/zinc/71/72/16/388717216.db2.gz SUYJBPSAGOBFMY-QMMMGPOBSA-N 2 1 217.338 -0.501 20 0 BBADMP CC[C@H]([NH3+])C(=O)NCC[NH+]1CCSCC1 ZINC000226389886 388717570 /nfs/dbraw/zinc/71/75/70/388717570.db2.gz VUBYVIBKQIJDKL-VIFPVBQESA-N 2 1 231.365 -0.111 20 0 BBADMP CC[NH2+]CC(=O)NCC[NH+]1CCSCC1 ZINC000226389897 640758440 /nfs/dbraw/zinc/75/84/40/640758440.db2.gz XCPWHVXGIOHMSM-UHFFFAOYSA-N 2 1 231.365 -0.239 20 0 BBADMP O=C(NCC[NH+]1CCSCC1)[C@H]1CCC[NH2+]1 ZINC000226389905 182186553 /nfs/dbraw/zinc/18/65/53/182186553.db2.gz QURWYWVQLYVOBB-SNVBAGLBSA-N 2 1 243.376 -0.097 20 0 BBADMP [NH3+]CCOCC(=O)NCC[NH+]1CCSCC1 ZINC000226389921 487730094 /nfs/dbraw/zinc/73/00/94/487730094.db2.gz YPNDBGBITULXOM-UHFFFAOYSA-N 2 1 247.364 -0.873 20 0 BBADMP O=C(NCC[NH+]1CCSCC1)[C@@H]1CCC[NH2+]1 ZINC000226390132 182187405 /nfs/dbraw/zinc/18/74/05/182187405.db2.gz QURWYWVQLYVOBB-JTQLQIEISA-N 2 1 243.376 -0.097 20 0 BBADMP [NH3+]CC(=O)NCC[NH+]1CCSCC1 ZINC000226390168 181352037 /nfs/dbraw/zinc/35/20/37/181352037.db2.gz WFTIDZPXTZQXDG-UHFFFAOYSA-N 2 1 203.311 -0.890 20 0 BBADMP O=C(NCC[NH+]1CCSCC1)[C@@H]1CC[NH2+]C1 ZINC000226390289 182186248 /nfs/dbraw/zinc/18/62/48/182186248.db2.gz GZFBCAKUTYJXEB-SNVBAGLBSA-N 2 1 243.376 -0.239 20 0 BBADMP O=C(NCC[NH+]1CCSCC1)[C@H]1CC[NH2+]C1 ZINC000226390293 182187578 /nfs/dbraw/zinc/18/75/78/182187578.db2.gz GZFBCAKUTYJXEB-JTQLQIEISA-N 2 1 243.376 -0.239 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000226394335 173031902 /nfs/dbraw/zinc/03/19/02/173031902.db2.gz RTZMMZGHSPZREK-NXEZZACHSA-N 2 1 211.309 -0.051 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000226394347 173055898 /nfs/dbraw/zinc/05/58/98/173055898.db2.gz RTZMMZGHSPZREK-VHSXEESVSA-N 2 1 211.309 -0.051 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)COCC[NH3+] ZINC000226394376 487729881 /nfs/dbraw/zinc/72/98/81/487729881.db2.gz PIVIFRMFLTXGDI-SECBINFHSA-N 2 1 215.297 -0.828 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)COCC[NH3+] ZINC000226394385 487729980 /nfs/dbraw/zinc/72/99/80/487729980.db2.gz PIVIFRMFLTXGDI-VIFPVBQESA-N 2 1 215.297 -0.828 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000226394666 173031974 /nfs/dbraw/zinc/03/19/74/173031974.db2.gz VGPIQSVDFBTFMW-GHMZBOCLSA-N 2 1 241.335 -0.425 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000226394676 173052758 /nfs/dbraw/zinc/05/27/58/173052758.db2.gz VGPIQSVDFBTFMW-WDEREUQCSA-N 2 1 241.335 -0.425 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000226394800 385008447 /nfs/dbraw/zinc/00/84/47/385008447.db2.gz GHVDRROGMWKKKB-ZJUUUORDSA-N 2 1 227.308 -0.815 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000226394810 385009596 /nfs/dbraw/zinc/00/95/96/385009596.db2.gz GHVDRROGMWKKKB-UWVGGRQHSA-N 2 1 227.308 -0.815 20 0 BBADMP COCC[NH2+]CC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000226394837 174331543 /nfs/dbraw/zinc/33/15/43/174331543.db2.gz ZJNLLFZCGBHJSR-JTQLQIEISA-N 2 1 229.324 -0.567 20 0 BBADMP COCC[NH2+]CC(=O)NC[C@H]1CCC[N@H+]1C ZINC000226394843 487731631 /nfs/dbraw/zinc/73/16/31/487731631.db2.gz ZJNLLFZCGBHJSR-SNVBAGLBSA-N 2 1 229.324 -0.567 20 0 BBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000226396297 385008118 /nfs/dbraw/zinc/00/81/18/385008118.db2.gz XDEHRABKZPVPDU-MNOVXSKESA-N 2 1 243.351 -0.179 20 0 BBADMP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000226396297 385008113 /nfs/dbraw/zinc/00/81/13/385008113.db2.gz XDEHRABKZPVPDU-MNOVXSKESA-N 2 1 243.351 -0.179 20 0 BBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000226396304 171306590 /nfs/dbraw/zinc/30/65/90/171306590.db2.gz XDEHRABKZPVPDU-QWRGUYRKSA-N 2 1 243.351 -0.179 20 0 BBADMP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000226396304 171306589 /nfs/dbraw/zinc/30/65/89/171306589.db2.gz XDEHRABKZPVPDU-QWRGUYRKSA-N 2 1 243.351 -0.179 20 0 BBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)COCC[NH3+] ZINC000226396857 488085551 /nfs/dbraw/zinc/08/55/51/488085551.db2.gz RTSWZOLAVCBBNW-SNVBAGLBSA-N 2 1 231.340 -0.192 20 0 BBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)COCC[NH3+] ZINC000226396864 487731104 /nfs/dbraw/zinc/73/11/04/487731104.db2.gz RTSWZOLAVCBBNW-JTQLQIEISA-N 2 1 231.340 -0.192 20 0 BBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000226396937 171306753 /nfs/dbraw/zinc/30/67/53/171306753.db2.gz AOGWHJLUNRACQM-AXFHLTTASA-N 2 1 243.351 -0.444 20 0 BBADMP CC[N@@H+](CCNC(=O)[C@@H]1COCC[NH2+]1)C1CC1 ZINC000226397339 385008752 /nfs/dbraw/zinc/00/87/52/385008752.db2.gz LJRYMWVCBHRVMJ-NSHDSACASA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@H+](CCNC(=O)[C@@H]1COCC[NH2+]1)C1CC1 ZINC000226397339 385008749 /nfs/dbraw/zinc/00/87/49/385008749.db2.gz LJRYMWVCBHRVMJ-NSHDSACASA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@@H+](CCNC(=O)[C@H]1COCC[NH2+]1)C1CC1 ZINC000226397345 385009441 /nfs/dbraw/zinc/00/94/41/385009441.db2.gz LJRYMWVCBHRVMJ-LLVKDONJSA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@H+](CCNC(=O)[C@H]1COCC[NH2+]1)C1CC1 ZINC000226397345 385009435 /nfs/dbraw/zinc/00/94/35/385009435.db2.gz LJRYMWVCBHRVMJ-LLVKDONJSA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@@H+](CCNC(=O)COCC[NH3+])C1CC1 ZINC000226397765 487731180 /nfs/dbraw/zinc/73/11/80/487731180.db2.gz ARHROXPXDZQABZ-UHFFFAOYSA-N 2 1 229.324 -0.438 20 0 BBADMP CC[N@@H+](CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)C1CC1 ZINC000226397823 386292295 /nfs/dbraw/zinc/29/22/95/386292295.db2.gz OCKDJCVPUNYVCU-MNOVXSKESA-N 2 1 241.335 -0.690 20 0 BBADMP CC[N@@H+](CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C1CC1 ZINC000226397826 385009097 /nfs/dbraw/zinc/00/90/97/385009097.db2.gz OCKDJCVPUNYVCU-GHMZBOCLSA-N 2 1 241.335 -0.690 20 0 BBADMP CC[N@@H+](CCNC(=O)[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000226398122 385007451 /nfs/dbraw/zinc/00/74/51/385007451.db2.gz HNVBADFBNRIKRX-NSHDSACASA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@@H+](CCNC(=O)C[NH2+]CCOC)C1CC1 ZINC000226398136 385009564 /nfs/dbraw/zinc/00/95/64/385009564.db2.gz MFHRNLIGXWGFLL-UHFFFAOYSA-N 2 1 243.351 -0.177 20 0 BBADMP C[C@@H](CNC(=O)[C@@H]1COCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000226398353 385006306 /nfs/dbraw/zinc/00/63/06/385006306.db2.gz KOYIPGGVCYXZRJ-ONGXEEELSA-N 2 1 241.335 -0.426 20 0 BBADMP C[C@@H](CNC(=O)[C@@H]1COCC[NH2+]1)[N@H+](C)C1CC1 ZINC000226398353 385006300 /nfs/dbraw/zinc/00/63/00/385006300.db2.gz KOYIPGGVCYXZRJ-ONGXEEELSA-N 2 1 241.335 -0.426 20 0 BBADMP C[C@H](CNC(=O)[C@@H]1COCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000226398359 385007890 /nfs/dbraw/zinc/00/78/90/385007890.db2.gz KOYIPGGVCYXZRJ-KOLCDFICSA-N 2 1 241.335 -0.426 20 0 BBADMP C[C@H](CNC(=O)[C@@H]1COCC[NH2+]1)[N@H+](C)C1CC1 ZINC000226398359 385007887 /nfs/dbraw/zinc/00/78/87/385007887.db2.gz KOYIPGGVCYXZRJ-KOLCDFICSA-N 2 1 241.335 -0.426 20 0 BBADMP C[C@@H](CNC(=O)[C@H]1COCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000226398367 385007012 /nfs/dbraw/zinc/00/70/12/385007012.db2.gz KOYIPGGVCYXZRJ-GXSJLCMTSA-N 2 1 241.335 -0.426 20 0 BBADMP C[C@@H](CNC(=O)[C@H]1COCC[NH2+]1)[N@H+](C)C1CC1 ZINC000226398367 385007005 /nfs/dbraw/zinc/00/70/05/385007005.db2.gz KOYIPGGVCYXZRJ-GXSJLCMTSA-N 2 1 241.335 -0.426 20 0 BBADMP C[C@H](CNC(=O)[C@H]1COCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000226398372 385008300 /nfs/dbraw/zinc/00/83/00/385008300.db2.gz KOYIPGGVCYXZRJ-MWLCHTKSSA-N 2 1 241.335 -0.426 20 0 BBADMP C[C@H](CNC(=O)[C@H]1COCC[NH2+]1)[N@H+](C)C1CC1 ZINC000226398372 385008296 /nfs/dbraw/zinc/00/82/96/385008296.db2.gz KOYIPGGVCYXZRJ-MWLCHTKSSA-N 2 1 241.335 -0.426 20 0 BBADMP C[C@@H](CNC(=O)COCC[NH3+])[N@@H+](C)C1CC1 ZINC000226399064 487734224 /nfs/dbraw/zinc/73/42/24/487734224.db2.gz PZPZNYIHXQQRPS-VIFPVBQESA-N 2 1 229.324 -0.439 20 0 BBADMP C[C@H](CNC(=O)COCC[NH3+])[N@@H+](C)C1CC1 ZINC000226399069 487734771 /nfs/dbraw/zinc/73/47/71/487734771.db2.gz PZPZNYIHXQQRPS-SECBINFHSA-N 2 1 229.324 -0.439 20 0 BBADMP C[C@H](CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)[N@@H+](C)C1CC1 ZINC000226399153 385008916 /nfs/dbraw/zinc/00/89/16/385008916.db2.gz YBJCXTVCVIYWKV-IEBDPFPHSA-N 2 1 241.335 -0.692 20 0 BBADMP C[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)[N@@H+](C)C1CC1 ZINC000226399159 388718601 /nfs/dbraw/zinc/71/86/01/388718601.db2.gz YBJCXTVCVIYWKV-JMJZKYOTSA-N 2 1 241.335 -0.692 20 0 BBADMP C[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)[N@@H+](C)C1CC1 ZINC000226399165 385008648 /nfs/dbraw/zinc/00/86/48/385008648.db2.gz YBJCXTVCVIYWKV-FBIMIBRVSA-N 2 1 241.335 -0.692 20 0 BBADMP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCO1)[N@@H+](C)C1CC1 ZINC000226399519 385008025 /nfs/dbraw/zinc/00/80/25/385008025.db2.gz GIHCSOOJIDKGMK-ONGXEEELSA-N 2 1 241.335 -0.426 20 0 BBADMP C[C@H](CNC(=O)[C@@H]1C[NH2+]CCO1)[N@@H+](C)C1CC1 ZINC000226399526 385008762 /nfs/dbraw/zinc/00/87/62/385008762.db2.gz GIHCSOOJIDKGMK-KOLCDFICSA-N 2 1 241.335 -0.426 20 0 BBADMP COCC[NH2+]CC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000226399538 174330782 /nfs/dbraw/zinc/33/07/82/174330782.db2.gz FBCKOJJVECDYSY-SNVBAGLBSA-N 2 1 243.351 -0.179 20 0 BBADMP COCC[NH2+]CC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000226399543 174331028 /nfs/dbraw/zinc/33/10/28/174331028.db2.gz FBCKOJJVECDYSY-JTQLQIEISA-N 2 1 243.351 -0.179 20 0 BBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000226402206 176267425 /nfs/dbraw/zinc/26/74/25/176267425.db2.gz WTSVHZUITJHNCL-NXEZZACHSA-N 2 1 211.309 -0.099 20 0 BBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000226402206 176267424 /nfs/dbraw/zinc/26/74/24/176267424.db2.gz WTSVHZUITJHNCL-NXEZZACHSA-N 2 1 211.309 -0.099 20 0 BBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000226402214 177233379 /nfs/dbraw/zinc/23/33/79/177233379.db2.gz WTSVHZUITJHNCL-VHSXEESVSA-N 2 1 211.309 -0.099 20 0 BBADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000226402214 177233378 /nfs/dbraw/zinc/23/33/78/177233378.db2.gz WTSVHZUITJHNCL-VHSXEESVSA-N 2 1 211.309 -0.099 20 0 BBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000226402515 176268075 /nfs/dbraw/zinc/26/80/75/176268075.db2.gz WTSVHZUITJHNCL-ZJUUUORDSA-N 2 1 211.309 -0.099 20 0 BBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000226402515 176268074 /nfs/dbraw/zinc/26/80/74/176268074.db2.gz WTSVHZUITJHNCL-ZJUUUORDSA-N 2 1 211.309 -0.099 20 0 BBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000226402522 177232345 /nfs/dbraw/zinc/23/23/45/177232345.db2.gz WTSVHZUITJHNCL-UWVGGRQHSA-N 2 1 211.309 -0.099 20 0 BBADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000226402522 177232343 /nfs/dbraw/zinc/23/23/43/177232343.db2.gz WTSVHZUITJHNCL-UWVGGRQHSA-N 2 1 211.309 -0.099 20 0 BBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000226402569 176267960 /nfs/dbraw/zinc/26/79/60/176267960.db2.gz XNGOWGKMQVKVLE-GHMZBOCLSA-N 2 1 241.335 -0.473 20 0 BBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000226402569 176267957 /nfs/dbraw/zinc/26/79/57/176267957.db2.gz XNGOWGKMQVKVLE-GHMZBOCLSA-N 2 1 241.335 -0.473 20 0 BBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000226402573 177232539 /nfs/dbraw/zinc/23/25/39/177232539.db2.gz XNGOWGKMQVKVLE-WDEREUQCSA-N 2 1 241.335 -0.473 20 0 BBADMP C[C@H]1C[N@H+](C)CCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000226402573 177232537 /nfs/dbraw/zinc/23/25/37/177232537.db2.gz XNGOWGKMQVKVLE-WDEREUQCSA-N 2 1 241.335 -0.473 20 0 BBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000226402763 176266934 /nfs/dbraw/zinc/26/69/34/176266934.db2.gz CHEDVTUBPKQDGP-ZJUUUORDSA-N 2 1 227.308 -0.863 20 0 BBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000226402763 176266932 /nfs/dbraw/zinc/26/69/32/176266932.db2.gz CHEDVTUBPKQDGP-ZJUUUORDSA-N 2 1 227.308 -0.863 20 0 BBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000226402768 177233418 /nfs/dbraw/zinc/23/34/18/177233418.db2.gz CHEDVTUBPKQDGP-UWVGGRQHSA-N 2 1 227.308 -0.863 20 0 BBADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000226402768 177233417 /nfs/dbraw/zinc/23/34/17/177233417.db2.gz CHEDVTUBPKQDGP-UWVGGRQHSA-N 2 1 227.308 -0.863 20 0 BBADMP COCC[NH2+]CC(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000226402796 174330824 /nfs/dbraw/zinc/33/08/24/174330824.db2.gz HQUZVIDZCOUIIF-JTQLQIEISA-N 2 1 229.324 -0.615 20 0 BBADMP COCC[NH2+]CC(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000226402796 174330822 /nfs/dbraw/zinc/33/08/22/174330822.db2.gz HQUZVIDZCOUIIF-JTQLQIEISA-N 2 1 229.324 -0.615 20 0 BBADMP COCC[NH2+]CC(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000226402801 174331371 /nfs/dbraw/zinc/33/13/71/174331371.db2.gz HQUZVIDZCOUIIF-SNVBAGLBSA-N 2 1 229.324 -0.615 20 0 BBADMP COCC[NH2+]CC(=O)N1CC[N@H+](C)C[C@H]1C ZINC000226402801 174331369 /nfs/dbraw/zinc/33/13/69/174331369.db2.gz HQUZVIDZCOUIIF-SNVBAGLBSA-N 2 1 229.324 -0.615 20 0 BBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000226402849 176267504 /nfs/dbraw/zinc/26/75/04/176267504.db2.gz OGZVAECCZAXCAK-NXEZZACHSA-N 2 1 211.309 -0.242 20 0 BBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000226402849 176267502 /nfs/dbraw/zinc/26/75/02/176267502.db2.gz OGZVAECCZAXCAK-NXEZZACHSA-N 2 1 211.309 -0.242 20 0 BBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000226402855 177232524 /nfs/dbraw/zinc/23/25/24/177232524.db2.gz OGZVAECCZAXCAK-VHSXEESVSA-N 2 1 211.309 -0.242 20 0 BBADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000226402855 177232522 /nfs/dbraw/zinc/23/25/22/177232522.db2.gz OGZVAECCZAXCAK-VHSXEESVSA-N 2 1 211.309 -0.242 20 0 BBADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000226406839 169120790 /nfs/dbraw/zinc/12/07/90/169120790.db2.gz SVJDDLWZGSYNSC-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP CCC[N@H+](CC)CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000226406839 169120788 /nfs/dbraw/zinc/12/07/88/169120788.db2.gz SVJDDLWZGSYNSC-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP CCC[N@@H+](CC)CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000226406844 169120991 /nfs/dbraw/zinc/12/09/91/169120991.db2.gz SVJDDLWZGSYNSC-LLVKDONJSA-N 2 1 243.351 -0.177 20 0 BBADMP CCC[N@H+](CC)CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000226406844 169120988 /nfs/dbraw/zinc/12/09/88/169120988.db2.gz SVJDDLWZGSYNSC-LLVKDONJSA-N 2 1 243.351 -0.177 20 0 BBADMP CCC[N@@H+](CC)CCNC(=O)COCC[NH3+] ZINC000226407341 487735992 /nfs/dbraw/zinc/73/59/92/487735992.db2.gz ZCDCGTFDYHKDSE-UHFFFAOYSA-N 2 1 231.340 -0.190 20 0 BBADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000226407392 169121282 /nfs/dbraw/zinc/12/12/82/169121282.db2.gz YEFWJYVJDYUFOI-MNOVXSKESA-N 2 1 243.351 -0.443 20 0 BBADMP CCC[N@@H+](CC)CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000226407399 169120524 /nfs/dbraw/zinc/12/05/24/169120524.db2.gz YEFWJYVJDYUFOI-GHMZBOCLSA-N 2 1 243.351 -0.443 20 0 BBADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000226407745 169121654 /nfs/dbraw/zinc/12/16/54/169121654.db2.gz FFHATRFRXJQIDT-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000226409803 173075654 /nfs/dbraw/zinc/07/56/54/173075654.db2.gz LAKFYQQMXMSDRK-WDEREUQCSA-N 2 1 240.351 -0.900 20 0 BBADMP CNC(=O)[C@@H](C)C[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000226439173 487746907 /nfs/dbraw/zinc/74/69/07/487746907.db2.gz JZYDROFJKLNWEX-VHSXEESVSA-N 2 1 213.325 -0.090 20 0 BBADMP CNC(=O)[C@H](C)C[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000226439177 487611599 /nfs/dbraw/zinc/61/15/99/487611599.db2.gz JZYDROFJKLNWEX-NXEZZACHSA-N 2 1 213.325 -0.090 20 0 BBADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CCOC ZINC000226518534 635432781 /nfs/dbraw/zinc/43/27/81/635432781.db2.gz FEKXRIHKXMEFCR-QWRGUYRKSA-N 2 1 243.351 -0.049 20 0 BBADMP OC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000226832357 134369764 /nfs/dbraw/zinc/36/97/64/134369764.db2.gz YOOIRNKENXRBQY-GMTAPVOTSA-N 2 1 214.309 -0.444 20 0 BBADMP OC[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000226832364 134370088 /nfs/dbraw/zinc/37/00/88/134370088.db2.gz YOOIRNKENXRBQY-HBNTYKKESA-N 2 1 214.309 -0.444 20 0 BBADMP O[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000226869447 488033159 /nfs/dbraw/zinc/03/31/59/488033159.db2.gz ZCJNGIKHIPGLPU-WISYIIOYSA-N 2 1 226.320 -0.038 20 0 BBADMP O[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000226869447 488033155 /nfs/dbraw/zinc/03/31/55/488033155.db2.gz ZCJNGIKHIPGLPU-WISYIIOYSA-N 2 1 226.320 -0.038 20 0 BBADMP CN1CC[C@@H]([N@H+]2CCC[C@@H](C[NH3+])C2)C1=O ZINC000227071704 536451895 /nfs/dbraw/zinc/45/18/95/536451895.db2.gz YRCAOPSBFCNJGF-VHSXEESVSA-N 2 1 211.309 -0.112 20 0 BBADMP CN1CC[C@@H]([N@@H+]2CCC[C@@H](C[NH3+])C2)C1=O ZINC000227071704 536451892 /nfs/dbraw/zinc/45/18/92/536451892.db2.gz YRCAOPSBFCNJGF-VHSXEESVSA-N 2 1 211.309 -0.112 20 0 BBADMP CN1CC[C@H]([N@H+]2CCC[C@@H](C[NH3+])C2)C1=O ZINC000227071711 536478112 /nfs/dbraw/zinc/47/81/12/536478112.db2.gz YRCAOPSBFCNJGF-UWVGGRQHSA-N 2 1 211.309 -0.112 20 0 BBADMP CN1CC[C@H]([N@@H+]2CCC[C@@H](C[NH3+])C2)C1=O ZINC000227071711 536478111 /nfs/dbraw/zinc/47/81/11/536478111.db2.gz YRCAOPSBFCNJGF-UWVGGRQHSA-N 2 1 211.309 -0.112 20 0 BBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227074104 173286449 /nfs/dbraw/zinc/28/64/49/173286449.db2.gz UTMQASPZYNTVBK-DTWKUNHWSA-N 2 1 242.323 -0.499 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227074462 640814943 /nfs/dbraw/zinc/81/49/43/640814943.db2.gz LDEFETMCSSSGRL-LPEHRKFASA-N 2 1 202.298 -0.337 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227074467 640815814 /nfs/dbraw/zinc/81/58/14/640815814.db2.gz LDEFETMCSSSGRL-IVZWLZJFSA-N 2 1 202.298 -0.337 20 0 BBADMP C[C@@H](C[NH+]1CCOCC1)N1CC[C@@H]([NH3+])C1 ZINC000227089567 358348898 /nfs/dbraw/zinc/34/88/98/358348898.db2.gz UMXIPKZOCDAREP-WDEREUQCSA-N 2 1 213.325 -0.260 20 0 BBADMP C[C@H](C[NH+]1CCOCC1)N1CC[C@@H]([NH3+])C1 ZINC000227089572 358349251 /nfs/dbraw/zinc/34/92/51/358349251.db2.gz UMXIPKZOCDAREP-GHMZBOCLSA-N 2 1 213.325 -0.260 20 0 BBADMP CC[N@@H+](C)CCNC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000227181666 358350847 /nfs/dbraw/zinc/35/08/47/358350847.db2.gz TUAYFZCYQFSKQU-NXEZZACHSA-N 2 1 229.324 -0.569 20 0 BBADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000227182209 385096840 /nfs/dbraw/zinc/09/68/40/385096840.db2.gz BDZVUCINRBXAIT-ZJUUUORDSA-N 2 1 229.324 -0.834 20 0 BBADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000227182218 188154894 /nfs/dbraw/zinc/15/48/94/188154894.db2.gz BDZVUCINRBXAIT-NXEZZACHSA-N 2 1 229.324 -0.834 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000227213688 640821477 /nfs/dbraw/zinc/82/14/77/640821477.db2.gz HHSQDACWPIXKIZ-OPRDCNLKSA-N 2 1 202.298 -0.337 20 0 BBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C[NH3+])CC[C@H]21 ZINC000227332842 536377336 /nfs/dbraw/zinc/37/73/36/536377336.db2.gz XIVQRHTUXOEDPV-NXEZZACHSA-N 2 1 211.309 -0.112 20 0 BBADMP C[N@H+]1CCC[C@H]2CN(C(=O)C[NH3+])CC[C@H]21 ZINC000227332851 134377841 /nfs/dbraw/zinc/37/78/41/134377841.db2.gz XIVQRHTUXOEDPV-VHSXEESVSA-N 2 1 211.309 -0.112 20 0 BBADMP C[N@H+]1CCC[C@@H]2CN(CC(N)=O)CC[C@H]21 ZINC000227344817 134378228 /nfs/dbraw/zinc/37/82/28/134378228.db2.gz LBCSEWNYISUTCM-NXEZZACHSA-N 2 1 211.309 -0.112 20 0 BBADMP C[N@H+]1CCC[C@H]2CN(CC(N)=O)CC[C@H]21 ZINC000227344825 134377959 /nfs/dbraw/zinc/37/79/59/134377959.db2.gz LBCSEWNYISUTCM-VHSXEESVSA-N 2 1 211.309 -0.112 20 0 BBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C[NH3+])OC ZINC000227345021 345252868 /nfs/dbraw/zinc/25/28/68/345252868.db2.gz NWOFFJPTACTLNI-NXEZZACHSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C[NH3+])OC ZINC000227345034 345252940 /nfs/dbraw/zinc/25/29/40/345252940.db2.gz NWOFFJPTACTLNI-VHSXEESVSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[NH+]1CCN(C(=O)[C@@H](C[NH3+])OC)CC1 ZINC000227345518 363233558 /nfs/dbraw/zinc/23/35/58/363233558.db2.gz KQGVJPPCZDCGGS-SECBINFHSA-N 2 1 215.297 -0.876 20 0 BBADMP CC[NH+]1CCN(C(=O)[C@H](C[NH3+])OC)CC1 ZINC000227345527 363233419 /nfs/dbraw/zinc/23/34/19/363233419.db2.gz KQGVJPPCZDCGGS-VIFPVBQESA-N 2 1 215.297 -0.876 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N1CCC[N@@H+](C)CC1 ZINC000227346638 388748634 /nfs/dbraw/zinc/74/86/34/388748634.db2.gz ZALATYXIFLTTSV-VIFPVBQESA-N 2 1 215.297 -0.876 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N1CCC[N@@H+](C)CC1 ZINC000227346647 388749534 /nfs/dbraw/zinc/74/95/34/388749534.db2.gz ZALATYXIFLTTSV-SECBINFHSA-N 2 1 215.297 -0.876 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N1CC[NH+](C(C)C)CC1 ZINC000227350830 386478334 /nfs/dbraw/zinc/47/83/34/386478334.db2.gz HTUVYHIXFMVODC-JTQLQIEISA-N 2 1 229.324 -0.487 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N1CC[NH+](C(C)C)CC1 ZINC000227350840 385129585 /nfs/dbraw/zinc/12/95/85/385129585.db2.gz HTUVYHIXFMVODC-SNVBAGLBSA-N 2 1 229.324 -0.487 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227355533 640830110 /nfs/dbraw/zinc/83/01/10/640830110.db2.gz UYUJAXVOIBLIFX-VWYCJHECSA-N 2 1 241.335 -0.297 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227355544 640830093 /nfs/dbraw/zinc/83/00/93/640830093.db2.gz UYUJAXVOIBLIFX-DCAQKATOSA-N 2 1 241.335 -0.297 20 0 BBADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C[NH3+])OC)C1 ZINC000227360072 170008140 /nfs/dbraw/zinc/00/81/40/170008140.db2.gz DGIVEMOFAXQNFC-VHSXEESVSA-N 2 1 229.324 -0.582 20 0 BBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C[NH3+])OC)C1 ZINC000227360080 170015961 /nfs/dbraw/zinc/01/59/61/170015961.db2.gz DGIVEMOFAXQNFC-NXEZZACHSA-N 2 1 229.324 -0.582 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000227365898 385123483 /nfs/dbraw/zinc/12/34/83/385123483.db2.gz AKOVLVZLONUAAF-ZJUUUORDSA-N 2 1 227.308 -0.733 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000227365906 385123429 /nfs/dbraw/zinc/12/34/29/385123429.db2.gz AKOVLVZLONUAAF-NXEZZACHSA-N 2 1 227.308 -0.733 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000227365916 385124310 /nfs/dbraw/zinc/12/43/10/385124310.db2.gz XHCIQRQSAASKDW-MNOVXSKESA-N 2 1 241.335 -0.343 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000227365916 385124307 /nfs/dbraw/zinc/12/43/07/385124307.db2.gz XHCIQRQSAASKDW-MNOVXSKESA-N 2 1 241.335 -0.343 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000227365922 385123200 /nfs/dbraw/zinc/12/32/00/385123200.db2.gz XHCIQRQSAASKDW-GHMZBOCLSA-N 2 1 241.335 -0.343 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000227365922 385123196 /nfs/dbraw/zinc/12/31/96/385123196.db2.gz XHCIQRQSAASKDW-GHMZBOCLSA-N 2 1 241.335 -0.343 20 0 BBADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C[NH3+])OC)C1 ZINC000227373162 345252423 /nfs/dbraw/zinc/25/24/23/345252423.db2.gz KDZWVYWVFRYUAE-NXEZZACHSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C[NH3+])OC)C1 ZINC000227373168 345252283 /nfs/dbraw/zinc/25/22/83/345252283.db2.gz KDZWVYWVFRYUAE-VHSXEESVSA-N 2 1 229.324 -0.439 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000227373218 358354995 /nfs/dbraw/zinc/35/49/95/358354995.db2.gz WYBHUTRNQYFGNW-QWRGUYRKSA-N 2 1 243.351 -0.193 20 0 BBADMP CO[C@H](C[NH3+])C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000227373223 358355304 /nfs/dbraw/zinc/35/53/04/358355304.db2.gz WYBHUTRNQYFGNW-WDEREUQCSA-N 2 1 243.351 -0.193 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000227373226 350493974 /nfs/dbraw/zinc/49/39/74/350493974.db2.gz WYBHUTRNQYFGNW-MNOVXSKESA-N 2 1 243.351 -0.193 20 0 BBADMP CO[C@H](C[NH3+])C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000227373231 358354979 /nfs/dbraw/zinc/35/49/79/358354979.db2.gz WYBHUTRNQYFGNW-GHMZBOCLSA-N 2 1 243.351 -0.193 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000227373294 641761295 /nfs/dbraw/zinc/76/12/95/641761295.db2.gz NQSZCNJFZMXJFT-BDAKNGLRSA-N 2 1 215.297 -0.830 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000227373301 711832319 /nfs/dbraw/zinc/83/23/19/711832319.db2.gz NQSZCNJFZMXJFT-IUCAKERBSA-N 2 1 215.297 -0.830 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000227378972 358355316 /nfs/dbraw/zinc/35/53/16/358355316.db2.gz NTUFWXKGTVQKKT-UWVGGRQHSA-N 2 1 229.324 -0.582 20 0 BBADMP CO[C@H](C[NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000227378976 358354817 /nfs/dbraw/zinc/35/48/17/358354817.db2.gz NTUFWXKGTVQKKT-VHSXEESVSA-N 2 1 229.324 -0.582 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000227378982 358355157 /nfs/dbraw/zinc/35/51/57/358355157.db2.gz NTUFWXKGTVQKKT-ZJUUUORDSA-N 2 1 229.324 -0.582 20 0 BBADMP CO[C@H](C[NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000227378988 358354588 /nfs/dbraw/zinc/35/45/88/358354588.db2.gz NTUFWXKGTVQKKT-NXEZZACHSA-N 2 1 229.324 -0.582 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000227379148 632425140 /nfs/dbraw/zinc/42/51/40/632425140.db2.gz ZOZKIVLGJYNDPJ-SCZZXKLOSA-N 2 1 227.308 -0.687 20 0 BBADMP CO[C@H](C[NH3+])C(=O)NCC[N@@H+](C)C(C)C ZINC000227381303 536559337 /nfs/dbraw/zinc/55/93/37/536559337.db2.gz OFPMBZRGVAGNKG-SECBINFHSA-N 2 1 217.313 -0.584 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000227382374 640831557 /nfs/dbraw/zinc/83/15/57/640831557.db2.gz GGDAWFXRIKTGEV-VIFPVBQESA-N 2 1 215.297 -0.830 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000227383574 385135109 /nfs/dbraw/zinc/13/51/09/385135109.db2.gz RJEUNLHAURNIFS-NSHDSACASA-N 2 1 243.351 -0.049 20 0 BBADMP CO[C@H](C[NH3+])C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000227383579 385133858 /nfs/dbraw/zinc/13/38/58/385133858.db2.gz RJEUNLHAURNIFS-LLVKDONJSA-N 2 1 243.351 -0.049 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000227389820 358355745 /nfs/dbraw/zinc/35/57/45/358355745.db2.gz JYUVDYQGLXKRQM-VWYCJHECSA-N 2 1 241.335 -0.345 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000227389830 358355587 /nfs/dbraw/zinc/35/55/87/358355587.db2.gz JYUVDYQGLXKRQM-OUAUKWLOSA-N 2 1 241.335 -0.345 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000227391345 385137341 /nfs/dbraw/zinc/13/73/41/385137341.db2.gz KFIXIEUVKALHTR-GARJFASQSA-N 2 1 241.335 -0.345 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000227391354 385136079 /nfs/dbraw/zinc/13/60/79/385136079.db2.gz KFIXIEUVKALHTR-HBNTYKKESA-N 2 1 241.335 -0.345 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000227417158 388751714 /nfs/dbraw/zinc/75/17/14/388751714.db2.gz IHKUKZGFISSGAB-IUCAKERBSA-N 2 1 215.297 -0.877 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000227417158 388751713 /nfs/dbraw/zinc/75/17/13/388751713.db2.gz IHKUKZGFISSGAB-IUCAKERBSA-N 2 1 215.297 -0.877 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000227417164 388751185 /nfs/dbraw/zinc/75/11/85/388751185.db2.gz IHKUKZGFISSGAB-DTWKUNHWSA-N 2 1 215.297 -0.877 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000227417164 388751183 /nfs/dbraw/zinc/75/11/83/388751183.db2.gz IHKUKZGFISSGAB-DTWKUNHWSA-N 2 1 215.297 -0.877 20 0 BBADMP CC[N@@H+](CCNC(=O)[C@@H](C[NH3+])OC)C1CC1 ZINC000227419333 385142171 /nfs/dbraw/zinc/14/21/71/385142171.db2.gz RYARTXSMHQHIFF-SNVBAGLBSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[N@@H+](CCNC(=O)[C@H](C[NH3+])OC)C1CC1 ZINC000227419343 385140780 /nfs/dbraw/zinc/14/07/80/385140780.db2.gz RYARTXSMHQHIFF-JTQLQIEISA-N 2 1 229.324 -0.439 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000227419357 385141530 /nfs/dbraw/zinc/14/15/30/385141530.db2.gz SNVMBEDVGHHKJQ-SCZZXKLOSA-N 2 1 229.324 -0.441 20 0 BBADMP CO[C@H](C[NH3+])C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000227419364 385141215 /nfs/dbraw/zinc/14/12/15/385141215.db2.gz SNVMBEDVGHHKJQ-PSASIEDQSA-N 2 1 229.324 -0.441 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000227419368 385140752 /nfs/dbraw/zinc/14/07/52/385140752.db2.gz SNVMBEDVGHHKJQ-WPRPVWTQSA-N 2 1 229.324 -0.441 20 0 BBADMP CO[C@H](C[NH3+])C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000227419373 385141896 /nfs/dbraw/zinc/14/18/96/385141896.db2.gz SNVMBEDVGHHKJQ-WCBMZHEXSA-N 2 1 229.324 -0.441 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000227419664 388751740 /nfs/dbraw/zinc/75/17/40/388751740.db2.gz HAGIXQPDZBXEFK-IUCAKERBSA-N 2 1 215.297 -0.830 20 0 BBADMP CO[C@H](C[NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000227419673 388751111 /nfs/dbraw/zinc/75/11/11/388751111.db2.gz HAGIXQPDZBXEFK-DTWKUNHWSA-N 2 1 215.297 -0.830 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000227419682 388751014 /nfs/dbraw/zinc/75/10/14/388751014.db2.gz HAGIXQPDZBXEFK-BDAKNGLRSA-N 2 1 215.297 -0.830 20 0 BBADMP CO[C@H](C[NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000227419693 388751697 /nfs/dbraw/zinc/75/16/97/388751697.db2.gz HAGIXQPDZBXEFK-RKDXNWHRSA-N 2 1 215.297 -0.830 20 0 BBADMP C[NH2+]CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000227456386 173328031 /nfs/dbraw/zinc/32/80/31/173328031.db2.gz LJJPWSSKBJUAPJ-UWVGGRQHSA-N 2 1 211.309 -0.099 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000227708272 711832586 /nfs/dbraw/zinc/83/25/86/711832586.db2.gz OTNZXJZQLCYFCB-IVZWLZJFSA-N 2 1 202.298 -0.195 20 0 BBADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000227819358 134395525 /nfs/dbraw/zinc/39/55/25/134395525.db2.gz CPOBXLUTZHRVQU-VIFPVBQESA-N 2 1 244.339 -0.963 20 0 BBADMP CCC[N@H+](CC)CCNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000227819358 134395523 /nfs/dbraw/zinc/39/55/23/134395523.db2.gz CPOBXLUTZHRVQU-VIFPVBQESA-N 2 1 244.339 -0.963 20 0 BBADMP CCC[N@@H+](CC)CCNC(=O)[C@H]([NH3+])CC(N)=O ZINC000227819364 134395407 /nfs/dbraw/zinc/39/54/07/134395407.db2.gz CPOBXLUTZHRVQU-SECBINFHSA-N 2 1 244.339 -0.963 20 0 BBADMP CCC[N@H+](CC)CCNC(=O)[C@H]([NH3+])CC(N)=O ZINC000227819364 134395406 /nfs/dbraw/zinc/39/54/06/134395406.db2.gz CPOBXLUTZHRVQU-SECBINFHSA-N 2 1 244.339 -0.963 20 0 BBADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000227841537 134391321 /nfs/dbraw/zinc/39/13/21/134391321.db2.gz CEDLQTSIGDHHDF-AEJSXWLSSA-N 2 1 202.298 -0.324 20 0 BBADMP C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000227841547 134390948 /nfs/dbraw/zinc/39/09/48/134390948.db2.gz CEDLQTSIGDHHDF-IVZWLZJFSA-N 2 1 202.298 -0.324 20 0 BBADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)CO)CC[C@H]21 ZINC000228128797 711833729 /nfs/dbraw/zinc/83/37/29/711833729.db2.gz RQLYIAKMLJHCRT-IJLUTSLNSA-N 2 1 228.336 -0.244 20 0 BBADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)CO)CC[C@H]21 ZINC000228128797 711833728 /nfs/dbraw/zinc/83/37/28/711833728.db2.gz RQLYIAKMLJHCRT-IJLUTSLNSA-N 2 1 228.336 -0.244 20 0 BBADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)CO)CC[C@H]21 ZINC000228128797 711833727 /nfs/dbraw/zinc/83/37/27/711833727.db2.gz RQLYIAKMLJHCRT-IJLUTSLNSA-N 2 1 228.336 -0.244 20 0 BBADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@@H](O)CO)CC[C@H]21 ZINC000228128809 711833774 /nfs/dbraw/zinc/83/37/74/711833774.db2.gz RQLYIAKMLJHCRT-QJPTWQEYSA-N 2 1 228.336 -0.244 20 0 BBADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@@H](O)CO)CC[C@H]21 ZINC000228128809 711833773 /nfs/dbraw/zinc/83/37/73/711833773.db2.gz RQLYIAKMLJHCRT-QJPTWQEYSA-N 2 1 228.336 -0.244 20 0 BBADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@@H](O)CO)CC[C@H]21 ZINC000228128809 711833772 /nfs/dbraw/zinc/83/37/72/711833772.db2.gz RQLYIAKMLJHCRT-QJPTWQEYSA-N 2 1 228.336 -0.244 20 0 BBADMP COC[C@@H](CCO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000228342621 487628007 /nfs/dbraw/zinc/62/80/07/487628007.db2.gz SMSRPBQBXQRLRX-VXGBXAGGSA-N 2 1 246.351 -0.570 20 0 BBADMP COC[C@H](CCO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000228342629 487628221 /nfs/dbraw/zinc/62/82/21/487628221.db2.gz SMSRPBQBXQRLRX-NWDGAFQWSA-N 2 1 246.351 -0.570 20 0 BBADMP COC[C@@H](CCO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000228342637 487628232 /nfs/dbraw/zinc/62/82/32/487628232.db2.gz SMSRPBQBXQRLRX-NEPJUHHUSA-N 2 1 246.351 -0.570 20 0 BBADMP COC[C@H](CCO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000228342645 487626984 /nfs/dbraw/zinc/62/69/84/487626984.db2.gz SMSRPBQBXQRLRX-RYUDHWBXSA-N 2 1 246.351 -0.570 20 0 BBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000228509702 358377712 /nfs/dbraw/zinc/37/77/12/358377712.db2.gz PRDCZWLPUMOBNV-GARJFASQSA-N 2 1 241.335 -0.474 20 0 BBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C)C1 ZINC000228509702 358377708 /nfs/dbraw/zinc/37/77/08/358377708.db2.gz PRDCZWLPUMOBNV-GARJFASQSA-N 2 1 241.335 -0.474 20 0 BBADMP CO[C@H]1C[NH2+][C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000228509709 349982830 /nfs/dbraw/zinc/98/28/30/349982830.db2.gz PRDCZWLPUMOBNV-HBNTYKKESA-N 2 1 241.335 -0.474 20 0 BBADMP CO[C@H]1C[NH2+][C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C)C1 ZINC000228509709 349982828 /nfs/dbraw/zinc/98/28/28/349982828.db2.gz PRDCZWLPUMOBNV-HBNTYKKESA-N 2 1 241.335 -0.474 20 0 BBADMP NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228547079 358377516 /nfs/dbraw/zinc/37/75/16/358377516.db2.gz FHOKCSCSNPLKDF-DJLDLDEBSA-N 2 1 240.307 -0.760 20 0 BBADMP NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228547079 358377512 /nfs/dbraw/zinc/37/75/12/358377512.db2.gz FHOKCSCSNPLKDF-DJLDLDEBSA-N 2 1 240.307 -0.760 20 0 BBADMP NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000228547085 358377308 /nfs/dbraw/zinc/37/73/08/358377308.db2.gz FHOKCSCSNPLKDF-YIZRAAEISA-N 2 1 240.307 -0.760 20 0 BBADMP NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000228547085 358377306 /nfs/dbraw/zinc/37/73/06/358377306.db2.gz FHOKCSCSNPLKDF-YIZRAAEISA-N 2 1 240.307 -0.760 20 0 BBADMP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228547108 387102379 /nfs/dbraw/zinc/10/23/79/387102379.db2.gz YKLJCGUFSBHRLY-IVZWLZJFSA-N 2 1 211.309 -0.208 20 0 BBADMP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228547899 358377473 /nfs/dbraw/zinc/37/74/73/358377473.db2.gz XDCDLURVSQBQFA-UTINFBMNSA-N 2 1 211.309 -0.081 20 0 BBADMP O=C(C[NH2+]C1CC1)NCC[NH+]1CCSCC1 ZINC000229091711 358344793 /nfs/dbraw/zinc/34/47/93/358344793.db2.gz KBIJISZNBWCRCM-UHFFFAOYSA-N 2 1 243.376 -0.097 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229093199 640921192 /nfs/dbraw/zinc/92/11/92/640921192.db2.gz XCAJHMOZGXTPEU-OUAUKWLOSA-N 2 1 216.325 -0.090 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)C[NH2+]C1CC1 ZINC000229093237 388780381 /nfs/dbraw/zinc/78/03/81/388780381.db2.gz PSSBKMGLJBQYHM-SNVBAGLBSA-N 2 1 211.309 -0.051 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)C[NH2+]C1CC1 ZINC000229093249 388780493 /nfs/dbraw/zinc/78/04/93/388780493.db2.gz PSSBKMGLJBQYHM-JTQLQIEISA-N 2 1 211.309 -0.051 20 0 BBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)C[NH2+]C1CC1 ZINC000229094221 358344824 /nfs/dbraw/zinc/34/48/24/358344824.db2.gz FXQOQYUPMQCAAE-SECBINFHSA-N 2 1 211.309 -0.099 20 0 BBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)C[NH2+]C1CC1 ZINC000229094221 358344822 /nfs/dbraw/zinc/34/48/22/358344822.db2.gz FXQOQYUPMQCAAE-SECBINFHSA-N 2 1 211.309 -0.099 20 0 BBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)C[NH2+]C1CC1 ZINC000229094233 358345326 /nfs/dbraw/zinc/34/53/26/358345326.db2.gz FXQOQYUPMQCAAE-VIFPVBQESA-N 2 1 211.309 -0.099 20 0 BBADMP C[C@H]1C[N@H+](C)CCN1C(=O)C[NH2+]C1CC1 ZINC000229094233 358345323 /nfs/dbraw/zinc/34/53/23/358345323.db2.gz FXQOQYUPMQCAAE-VIFPVBQESA-N 2 1 211.309 -0.099 20 0 BBADMP CN1CC[C@@H]([N@H+]2CC[C@@H](CC[NH3+])C2)C1=O ZINC000229256150 640939384 /nfs/dbraw/zinc/93/93/84/640939384.db2.gz HQVCIFRQHWXKKM-NXEZZACHSA-N 2 1 211.309 -0.112 20 0 BBADMP CN1CC[C@H]([N@H+]2CC[C@@H](CC[NH3+])C2)C1=O ZINC000229256162 640939455 /nfs/dbraw/zinc/93/94/55/640939455.db2.gz HQVCIFRQHWXKKM-ZJUUUORDSA-N 2 1 211.309 -0.112 20 0 BBADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229256346 640939931 /nfs/dbraw/zinc/93/99/31/640939931.db2.gz VKSZYORQMAJTPC-RKDXNWHRSA-N 2 1 242.323 -0.499 20 0 BBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229256357 640939793 /nfs/dbraw/zinc/93/97/93/640939793.db2.gz VKSZYORQMAJTPC-DTWKUNHWSA-N 2 1 242.323 -0.499 20 0 BBADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)CO)CC[C@@H]21 ZINC000230072954 641013115 /nfs/dbraw/zinc/01/31/15/641013115.db2.gz RQLYIAKMLJHCRT-UTUOFQBUSA-N 2 1 228.336 -0.244 20 0 BBADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)CO)CC[C@@H]21 ZINC000230072954 641013113 /nfs/dbraw/zinc/01/31/13/641013113.db2.gz RQLYIAKMLJHCRT-UTUOFQBUSA-N 2 1 228.336 -0.244 20 0 BBADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)CO)CC[C@@H]21 ZINC000230072954 641013107 /nfs/dbraw/zinc/01/31/07/641013107.db2.gz RQLYIAKMLJHCRT-UTUOFQBUSA-N 2 1 228.336 -0.244 20 0 BBADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@@H](O)CO)CC[C@@H]21 ZINC000230072958 641012433 /nfs/dbraw/zinc/01/24/33/641012433.db2.gz RQLYIAKMLJHCRT-TUAOUCFPSA-N 2 1 228.336 -0.244 20 0 BBADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@@H](O)CO)CC[C@@H]21 ZINC000230072958 641012427 /nfs/dbraw/zinc/01/24/27/641012427.db2.gz RQLYIAKMLJHCRT-TUAOUCFPSA-N 2 1 228.336 -0.244 20 0 BBADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@@H](O)CO)CC[C@@H]21 ZINC000230072958 641012425 /nfs/dbraw/zinc/01/24/25/641012425.db2.gz RQLYIAKMLJHCRT-TUAOUCFPSA-N 2 1 228.336 -0.244 20 0 BBADMP CCN(CCC[NH+](C)C)C(=O)[C@@H]1COCC[NH2+]1 ZINC000230710895 357572484 /nfs/dbraw/zinc/57/24/84/357572484.db2.gz WWZWDJVJTBZCTH-NSHDSACASA-N 2 1 243.351 -0.225 20 0 BBADMP CCN(CCC[NH+](C)C)C(=O)[C@H]1COCC[NH2+]1 ZINC000230710899 357572334 /nfs/dbraw/zinc/57/23/34/357572334.db2.gz WWZWDJVJTBZCTH-LLVKDONJSA-N 2 1 243.351 -0.225 20 0 BBADMP CNC(=O)[C@H](C)C[N@@H+](C)CCC[NH2+]C ZINC000230896323 363327661 /nfs/dbraw/zinc/32/76/61/363327661.db2.gz HNRPFDOQPQJAMV-SECBINFHSA-N 2 1 201.314 -0.090 20 0 BBADMP CNC(=O)[C@@H](C)C[N@@H+](C)CCC[NH2+]C ZINC000230896325 357578232 /nfs/dbraw/zinc/57/82/32/357578232.db2.gz HNRPFDOQPQJAMV-VIFPVBQESA-N 2 1 201.314 -0.090 20 0 BBADMP C[C@@H](C[NH3+])C(=O)NCC[NH+]1CCSCC1 ZINC000230936629 363328628 /nfs/dbraw/zinc/32/86/28/363328628.db2.gz AFUWQBDHQGJWIW-VIFPVBQESA-N 2 1 231.365 -0.254 20 0 BBADMP C[C@H](C[NH3+])C(=O)NCC[NH+]1CCSCC1 ZINC000230936632 363328594 /nfs/dbraw/zinc/32/85/94/363328594.db2.gz AFUWQBDHQGJWIW-SECBINFHSA-N 2 1 231.365 -0.254 20 0 BBADMP C[NH2+][C@@H](C)C(=O)NCC[NH+]1CCSCC1 ZINC000230936774 358412406 /nfs/dbraw/zinc/41/24/06/358412406.db2.gz AGDSTEKETIDAPW-VIFPVBQESA-N 2 1 231.365 -0.241 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)NCC[NH+]1CCSCC1 ZINC000230937100 353549012 /nfs/dbraw/zinc/54/90/12/353549012.db2.gz AOYBOUDBPJLZJW-VIFPVBQESA-N 2 1 247.364 -0.875 20 0 BBADMP CO[C@H](C[NH3+])C(=O)NCC[NH+]1CCSCC1 ZINC000230937103 353548529 /nfs/dbraw/zinc/54/85/29/353548529.db2.gz AOYBOUDBPJLZJW-SECBINFHSA-N 2 1 247.364 -0.875 20 0 BBADMP Cn1cc(C[NH2+]CCOCC[NH+](C)C)nn1 ZINC000231675757 357618931 /nfs/dbraw/zinc/61/89/31/357618931.db2.gz IVHHDMRUCJWAKO-UHFFFAOYSA-N 2 1 227.312 -0.517 20 0 BBADMP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+](C)CC1 ZINC000232110509 363362039 /nfs/dbraw/zinc/36/20/39/363362039.db2.gz ZMKMSXMVXWGCBS-SECBINFHSA-N 2 1 215.297 -0.876 20 0 BBADMP CO[C@H](C[NH3+])CC(=O)N1CC[NH+](C)CC1 ZINC000232110511 363361468 /nfs/dbraw/zinc/36/14/68/363361468.db2.gz ZMKMSXMVXWGCBS-VIFPVBQESA-N 2 1 215.297 -0.876 20 0 BBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C[NH3+])OC ZINC000232111398 353695151 /nfs/dbraw/zinc/69/51/51/353695151.db2.gz NHAVQKYVOJYCRI-MNOVXSKESA-N 2 1 243.351 -0.049 20 0 BBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H](C[NH3+])OC ZINC000232111400 353694846 /nfs/dbraw/zinc/69/48/46/353694846.db2.gz NHAVQKYVOJYCRI-QWRGUYRKSA-N 2 1 243.351 -0.049 20 0 BBADMP CC[NH+]1CCN(C(=O)C[C@@H](C[NH3+])OC)CC1 ZINC000232111482 353694962 /nfs/dbraw/zinc/69/49/62/353694962.db2.gz DDXRGZSUTTVDJZ-JTQLQIEISA-N 2 1 229.324 -0.486 20 0 BBADMP CC[NH+]1CCN(C(=O)C[C@H](C[NH3+])OC)CC1 ZINC000232111484 353695191 /nfs/dbraw/zinc/69/51/91/353695191.db2.gz DDXRGZSUTTVDJZ-SNVBAGLBSA-N 2 1 229.324 -0.486 20 0 BBADMP CO[C@@H](C[NH3+])CC(=O)N1CCC[N@@H+](C)CC1 ZINC000232111687 135026912 /nfs/dbraw/zinc/02/69/12/135026912.db2.gz LVVKPUQVYMCHPR-SNVBAGLBSA-N 2 1 229.324 -0.486 20 0 BBADMP CO[C@H](C[NH3+])CC(=O)N1CCC[N@@H+](C)CC1 ZINC000232111688 357644819 /nfs/dbraw/zinc/64/48/19/357644819.db2.gz LVVKPUQVYMCHPR-JTQLQIEISA-N 2 1 229.324 -0.486 20 0 BBADMP CC[N@H+]1CC[C@@H](CNC(=O)C[C@@H](C[NH3+])OC)C1 ZINC000232114728 357645935 /nfs/dbraw/zinc/64/59/35/357645935.db2.gz YBPYUPQNJNKRSH-QWRGUYRKSA-N 2 1 243.351 -0.192 20 0 BBADMP CC[N@H+]1CC[C@H](CNC(=O)C[C@@H](C[NH3+])OC)C1 ZINC000232114730 357645972 /nfs/dbraw/zinc/64/59/72/357645972.db2.gz YBPYUPQNJNKRSH-MNOVXSKESA-N 2 1 243.351 -0.192 20 0 BBADMP CO[C@@H](C[NH3+])CC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000232116212 357645652 /nfs/dbraw/zinc/64/56/52/357645652.db2.gz ZXBXJBUJKZIQSJ-GHMZBOCLSA-N 2 1 241.335 -0.343 20 0 BBADMP CO[C@H](C[NH3+])CC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000232116214 357645759 /nfs/dbraw/zinc/64/57/59/357645759.db2.gz ZXBXJBUJKZIQSJ-MNOVXSKESA-N 2 1 241.335 -0.343 20 0 BBADMP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+](C2CC2)CC1 ZINC000232117048 135649581 /nfs/dbraw/zinc/64/95/81/135649581.db2.gz NTUXCENKBKSKJC-LLVKDONJSA-N 2 1 241.335 -0.343 20 0 BBADMP CO[C@H](C[NH3+])CC(=O)N1CC[NH+](C2CC2)CC1 ZINC000232117050 353695196 /nfs/dbraw/zinc/69/51/96/353695196.db2.gz NTUXCENKBKSKJC-NSHDSACASA-N 2 1 241.335 -0.343 20 0 BBADMP CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H](C[NH3+])OC)C1 ZINC000232117963 135026455 /nfs/dbraw/zinc/02/64/55/135026455.db2.gz PCEUVYFJYXUUGX-MNOVXSKESA-N 2 1 243.351 -0.049 20 0 BBADMP CC[N@H+]1CCC[C@H](NC(=O)C[C@@H](C[NH3+])OC)C1 ZINC000232117965 357645948 /nfs/dbraw/zinc/64/59/48/357645948.db2.gz PCEUVYFJYXUUGX-QWRGUYRKSA-N 2 1 243.351 -0.049 20 0 BBADMP CO[C@@H](C[NH3+])CC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000232118001 487513919 /nfs/dbraw/zinc/51/39/19/487513919.db2.gz POLKJBRJQJTIHE-NXEZZACHSA-N 2 1 229.324 -0.439 20 0 BBADMP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000232118002 487514030 /nfs/dbraw/zinc/51/40/30/487514030.db2.gz POLKJBRJQJTIHE-ZJUUUORDSA-N 2 1 229.324 -0.439 20 0 BBADMP CO[C@@H](C[NH3+])CC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000232118003 487513979 /nfs/dbraw/zinc/51/39/79/487513979.db2.gz POLKJBRJQJTIHE-VHSXEESVSA-N 2 1 229.324 -0.439 20 0 BBADMP CO[C@H](C[NH3+])CC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000232118004 487513947 /nfs/dbraw/zinc/51/39/47/487513947.db2.gz POLKJBRJQJTIHE-UWVGGRQHSA-N 2 1 229.324 -0.439 20 0 BBADMP CO[C@@H](C[NH3+])CC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000232119259 342787680 /nfs/dbraw/zinc/78/76/80/342787680.db2.gz KKLMGOFXHUVPMR-WDEREUQCSA-N 2 1 243.351 -0.192 20 0 BBADMP CO[C@H](C[NH3+])CC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000232119261 342787628 /nfs/dbraw/zinc/78/76/28/342787628.db2.gz KKLMGOFXHUVPMR-QWRGUYRKSA-N 2 1 243.351 -0.192 20 0 BBADMP CO[C@@H](C[NH3+])CC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000232119262 342787806 /nfs/dbraw/zinc/78/78/06/342787806.db2.gz KKLMGOFXHUVPMR-GHMZBOCLSA-N 2 1 243.351 -0.192 20 0 BBADMP CO[C@H](C[NH3+])CC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000232119264 342787793 /nfs/dbraw/zinc/78/77/93/342787793.db2.gz KKLMGOFXHUVPMR-MNOVXSKESA-N 2 1 243.351 -0.192 20 0 BBADMP CO[C@@H](C[NH3+])CC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000232119324 357645953 /nfs/dbraw/zinc/64/59/53/357645953.db2.gz HDZFFZIIOXEJJU-MWLCHTKSSA-N 2 1 241.335 -0.297 20 0 BBADMP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000232119326 357646772 /nfs/dbraw/zinc/64/67/72/357646772.db2.gz HDZFFZIIOXEJJU-KOLCDFICSA-N 2 1 241.335 -0.297 20 0 BBADMP CO[C@@H](C[NH3+])CC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000232119328 357646922 /nfs/dbraw/zinc/64/69/22/357646922.db2.gz HDZFFZIIOXEJJU-GXSJLCMTSA-N 2 1 241.335 -0.297 20 0 BBADMP CO[C@H](C[NH3+])CC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000232119330 357646558 /nfs/dbraw/zinc/64/65/58/357646558.db2.gz HDZFFZIIOXEJJU-ONGXEEELSA-N 2 1 241.335 -0.297 20 0 BBADMP CC[N@@H+](C)CCNC(=O)C[C@@H](C[NH3+])OC ZINC000232119898 363362698 /nfs/dbraw/zinc/36/26/98/363362698.db2.gz YKEGFKWVUYJQLY-VIFPVBQESA-N 2 1 217.313 -0.582 20 0 BBADMP CC[N@@H+](C)CCNC(=O)C[C@H](C[NH3+])OC ZINC000232119900 363362904 /nfs/dbraw/zinc/36/29/04/363362904.db2.gz YKEGFKWVUYJQLY-SECBINFHSA-N 2 1 217.313 -0.582 20 0 BBADMP CO[C@@H](C[NH3+])CC(=O)NCC[N@@H+](C)C(C)C ZINC000232119901 135649941 /nfs/dbraw/zinc/64/99/41/135649941.db2.gz QSSBHECPBPVNSB-SNVBAGLBSA-N 2 1 231.340 -0.193 20 0 BBADMP CO[C@H](C[NH3+])CC(=O)NCC[N@@H+](C)C(C)C ZINC000232119903 353695945 /nfs/dbraw/zinc/69/59/45/353695945.db2.gz QSSBHECPBPVNSB-JTQLQIEISA-N 2 1 231.340 -0.193 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)C[C@@H](C[NH3+])OC ZINC000232120020 353695964 /nfs/dbraw/zinc/69/59/64/353695964.db2.gz XOQNJZGCOHBLEN-JTQLQIEISA-N 2 1 247.339 -0.955 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)C[C@H](C[NH3+])OC ZINC000232120022 353695986 /nfs/dbraw/zinc/69/59/86/353695986.db2.gz XOQNJZGCOHBLEN-SNVBAGLBSA-N 2 1 247.339 -0.955 20 0 BBADMP CO[C@@H](C[NH3+])CC(=O)NCC[N@@H+](C)C1CC1 ZINC000232120138 357647004 /nfs/dbraw/zinc/64/70/04/357647004.db2.gz VFHKCRWUDHVPRQ-SNVBAGLBSA-N 2 1 229.324 -0.439 20 0 BBADMP CO[C@H](C[NH3+])CC(=O)NCC[N@@H+](C)C1CC1 ZINC000232120140 357646843 /nfs/dbraw/zinc/64/68/43/357646843.db2.gz VFHKCRWUDHVPRQ-JTQLQIEISA-N 2 1 229.324 -0.439 20 0 BBADMP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000232123739 357646910 /nfs/dbraw/zinc/64/69/10/357646910.db2.gz HPQJHSFBBHJNIS-AXFHLTTASA-N 2 1 243.351 -0.051 20 0 BBADMP CO[C@H](C[NH3+])CC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000232123742 357646862 /nfs/dbraw/zinc/64/68/62/357646862.db2.gz HPQJHSFBBHJNIS-DCAQKATOSA-N 2 1 243.351 -0.051 20 0 BBADMP CC(=O)N[C@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000232554926 487606220 /nfs/dbraw/zinc/60/62/20/487606220.db2.gz LPNPSKFBXJQPJZ-JTQLQIEISA-N 2 1 215.297 -0.828 20 0 BBADMP CC(=O)N[C@@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000232556310 487606340 /nfs/dbraw/zinc/60/63/40/487606340.db2.gz LPNPSKFBXJQPJZ-SNVBAGLBSA-N 2 1 215.297 -0.828 20 0 BBADMP CC(C)C[N@@H+](CCOCC[NH3+])CC(N)=O ZINC000232564711 363375470 /nfs/dbraw/zinc/37/54/70/363375470.db2.gz IUXKLDYOTNLGPB-UHFFFAOYSA-N 2 1 217.313 -0.595 20 0 BBADMP CC(C)CNC(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000232582494 487613415 /nfs/dbraw/zinc/61/34/15/487613415.db2.gz ZTRUWTPSVPEKBZ-UHFFFAOYSA-N 2 1 231.340 -0.334 20 0 BBADMP CC(C)CNC(=O)C[N@H+](C)CCOCC[NH3+] ZINC000232582494 487613409 /nfs/dbraw/zinc/61/34/09/487613409.db2.gz ZTRUWTPSVPEKBZ-UHFFFAOYSA-N 2 1 231.340 -0.334 20 0 BBADMP CC(=O)N1CC[NH+](CCOCC[NH3+])CC1 ZINC000232599406 363376403 /nfs/dbraw/zinc/37/64/03/363376403.db2.gz ZAPOAEMIOQPHGZ-UHFFFAOYSA-N 2 1 215.297 -0.874 20 0 BBADMP CC(C)NC(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000232642588 363378451 /nfs/dbraw/zinc/37/84/51/363378451.db2.gz ZILBYCOEBYTDAS-UHFFFAOYSA-N 2 1 217.313 -0.582 20 0 BBADMP CC(C)NC(=O)C[N@H+](C)CCOCC[NH3+] ZINC000232642588 363378450 /nfs/dbraw/zinc/37/84/50/363378450.db2.gz ZILBYCOEBYTDAS-UHFFFAOYSA-N 2 1 217.313 -0.582 20 0 BBADMP CC(C)[N@@H+](CCOCC[NH3+])CC(N)=O ZINC000232646669 363377868 /nfs/dbraw/zinc/37/78/68/363377868.db2.gz AOOGCYLRVAABCK-UHFFFAOYSA-N 2 1 203.286 -0.843 20 0 BBADMP CCC[N@@H+](CCOCC[NH3+])CC(=O)N(C)C ZINC000233030264 357691897 /nfs/dbraw/zinc/69/18/97/357691897.db2.gz CKLVOEIFNALQMS-UHFFFAOYSA-N 2 1 231.340 -0.238 20 0 BBADMP CCC[N@@H+](CCOCC[NH3+])CC(=O)NC ZINC000233030327 363391636 /nfs/dbraw/zinc/39/16/36/363391636.db2.gz RFWMHATYTOMRKO-UHFFFAOYSA-N 2 1 217.313 -0.580 20 0 BBADMP CCCNC(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000233038917 490117274 /nfs/dbraw/zinc/11/72/74/490117274.db2.gz KHRHBAXXSLICHB-UHFFFAOYSA-N 2 1 217.313 -0.580 20 0 BBADMP CCCNC(=O)C[N@H+](C)CCOCC[NH3+] ZINC000233038917 490117268 /nfs/dbraw/zinc/11/72/68/490117268.db2.gz KHRHBAXXSLICHB-UHFFFAOYSA-N 2 1 217.313 -0.580 20 0 BBADMP CC[N@@H+](C)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000233426345 363400923 /nfs/dbraw/zinc/40/09/23/363400923.db2.gz XEDZSCJHPNVMTG-NXEZZACHSA-N 2 1 213.325 -0.090 20 0 BBADMP CCN(CC)C(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000233427074 357723457 /nfs/dbraw/zinc/72/34/57/357723457.db2.gz KTXMSBIVRDWGSW-UHFFFAOYSA-N 2 1 231.340 -0.238 20 0 BBADMP CCN(CC)C(=O)C[N@H+](C)CCOCC[NH3+] ZINC000233427074 357723454 /nfs/dbraw/zinc/72/34/54/357723454.db2.gz KTXMSBIVRDWGSW-UHFFFAOYSA-N 2 1 231.340 -0.238 20 0 BBADMP CC[N@@H+](CCOCC[NH3+])CC(=O)N(C)C ZINC000233462241 487718679 /nfs/dbraw/zinc/71/86/79/487718679.db2.gz VBQJSZNEMZWAHK-UHFFFAOYSA-N 2 1 217.313 -0.628 20 0 BBADMP CC[N@@H+](CCOCC[NH3+])CC(=O)NC ZINC000233462251 642673003 /nfs/dbraw/zinc/67/30/03/642673003.db2.gz JFKXEPWTAFXYFO-UHFFFAOYSA-N 2 1 203.286 -0.970 20 0 BBADMP CCNC(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000233470074 488126518 /nfs/dbraw/zinc/12/65/18/488126518.db2.gz SBRKQUCVZIYCFN-UHFFFAOYSA-N 2 1 203.286 -0.970 20 0 BBADMP CCNC(=O)C[N@H+](C)CCOCC[NH3+] ZINC000233470074 488126511 /nfs/dbraw/zinc/12/65/11/488126511.db2.gz SBRKQUCVZIYCFN-UHFFFAOYSA-N 2 1 203.286 -0.970 20 0 BBADMP CCNC(=O)C[N@@H+](CC)CCOCC[NH3+] ZINC000233484458 363403946 /nfs/dbraw/zinc/40/39/46/363403946.db2.gz LLFPYMMZPLXTQO-UHFFFAOYSA-N 2 1 217.313 -0.580 20 0 BBADMP CCn1ncnc1C[NH2+]CCOCC[NH+](C)C ZINC000234234818 487779507 /nfs/dbraw/zinc/77/95/07/487779507.db2.gz KGEBSNKHSPBOCP-UHFFFAOYSA-N 2 1 241.339 -0.034 20 0 BBADMP Cn1ncnc1C[NH2+]CCOCC[NH+](C)C ZINC000234258090 487787705 /nfs/dbraw/zinc/78/77/05/487787705.db2.gz FRWSANGKRFOSSI-UHFFFAOYSA-N 2 1 227.312 -0.517 20 0 BBADMP C[N@@H+](CCOCC[NH3+])CC(=O)N1CCCC1 ZINC000234297748 487793315 /nfs/dbraw/zinc/79/33/15/487793315.db2.gz LWCYMGAMGAWCSS-UHFFFAOYSA-N 2 1 229.324 -0.484 20 0 BBADMP C[N@H+](CCOCC[NH3+])CC(=O)N1CCCC1 ZINC000234297748 487793312 /nfs/dbraw/zinc/79/33/12/487793312.db2.gz LWCYMGAMGAWCSS-UHFFFAOYSA-N 2 1 229.324 -0.484 20 0 BBADMP C[N@@H+](CCOCC[NH3+])CC(=O)NC1CC1 ZINC000234297772 388355484 /nfs/dbraw/zinc/35/54/84/388355484.db2.gz VXJORORUASJYKH-UHFFFAOYSA-N 2 1 215.297 -0.828 20 0 BBADMP C[N@H+](CCOCC[NH3+])CC(=O)NC1CC1 ZINC000234297772 388355481 /nfs/dbraw/zinc/35/54/81/388355481.db2.gz VXJORORUASJYKH-UHFFFAOYSA-N 2 1 215.297 -0.828 20 0 BBADMP CNC(=O)[C@@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000234333276 173297640 /nfs/dbraw/zinc/29/76/40/173297640.db2.gz WAIXLEIJRLYCME-JTQLQIEISA-N 2 1 229.324 -0.438 20 0 BBADMP CN1CC[N@@H+](CCOCC[NH3+])C(C)(C)C1=O ZINC000234339866 173083655 /nfs/dbraw/zinc/08/36/55/173083655.db2.gz OIGMDSQEGCBYTB-UHFFFAOYSA-N 2 1 229.324 -0.486 20 0 BBADMP CN1CC[N@H+](CCOCC[NH3+])C(C)(C)C1=O ZINC000234339866 173083653 /nfs/dbraw/zinc/08/36/53/173083653.db2.gz OIGMDSQEGCBYTB-UHFFFAOYSA-N 2 1 229.324 -0.486 20 0 BBADMP CNC(=O)[C@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000234343650 173305890 /nfs/dbraw/zinc/30/58/90/173305890.db2.gz WAIXLEIJRLYCME-SNVBAGLBSA-N 2 1 229.324 -0.438 20 0 BBADMP CNC(=O)[C@@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000234345324 173297886 /nfs/dbraw/zinc/29/78/86/173297886.db2.gz WIOZLMRPZNRYDR-SNVBAGLBSA-N 2 1 229.324 -0.580 20 0 BBADMP CNC(=O)CC[N@@H+](C)CCOCC[NH3+] ZINC000234350480 363419537 /nfs/dbraw/zinc/41/95/37/363419537.db2.gz HWNGVUWCUSBRQO-UHFFFAOYSA-N 2 1 203.286 -0.970 20 0 BBADMP CNC(=O)[C@@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000234351828 173299014 /nfs/dbraw/zinc/29/90/14/173299014.db2.gz QTAHDZBVQQMZHS-VIFPVBQESA-N 2 1 215.297 -0.828 20 0 BBADMP CNC(=O)[C@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000234352812 173306554 /nfs/dbraw/zinc/30/65/54/173306554.db2.gz WIOZLMRPZNRYDR-JTQLQIEISA-N 2 1 229.324 -0.580 20 0 BBADMP CNC(=O)[C@@H](C)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000234358763 342921796 /nfs/dbraw/zinc/92/17/96/342921796.db2.gz SJINMCNYWGZKEY-NSHDSACASA-N 2 1 242.367 -0.795 20 0 BBADMP CNC(=O)[C@@H](C)C[N@@H+](C)CCOCC[NH3+] ZINC000234358797 363421065 /nfs/dbraw/zinc/42/10/65/363421065.db2.gz BJTHTNZEIWAREG-VIFPVBQESA-N 2 1 217.313 -0.724 20 0 BBADMP CNC(=O)[C@H](C)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000234374946 342921763 /nfs/dbraw/zinc/92/17/63/342921763.db2.gz SJINMCNYWGZKEY-LLVKDONJSA-N 2 1 242.367 -0.795 20 0 BBADMP CNC(=O)[C@H](C)C[N@@H+](C)CCOCC[NH3+] ZINC000234374983 363421152 /nfs/dbraw/zinc/42/11/52/363421152.db2.gz BJTHTNZEIWAREG-SECBINFHSA-N 2 1 217.313 -0.724 20 0 BBADMP COC(=O)N[C@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000234518786 711558776 /nfs/dbraw/zinc/55/87/76/711558776.db2.gz MSODXFCPXGZPMY-VIFPVBQESA-N 2 1 231.296 -0.608 20 0 BBADMP COCCOC[C@@H](O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000234677888 631660936 /nfs/dbraw/zinc/66/09/36/631660936.db2.gz WVSINVGCJVQSDX-LBPRGKRZSA-N 2 1 246.351 -0.306 20 0 BBADMP COCCOC[C@@H](O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000234678293 635558468 /nfs/dbraw/zinc/55/84/68/635558468.db2.gz BRSSYLRFCGRHLJ-NSHDSACASA-N 2 1 248.367 -0.073 20 0 BBADMP COCCOC[C@@H](O)C[N@@H+](C)CCC[NH3+] ZINC000234679526 631660124 /nfs/dbraw/zinc/66/01/24/631660124.db2.gz JGAOZDUOIFGWGJ-JTQLQIEISA-N 2 1 220.313 -0.709 20 0 BBADMP COCCOC[C@@H](O)C[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000234683913 631659905 /nfs/dbraw/zinc/65/99/05/631659905.db2.gz VBLOEVXKHOEEDA-RYUDHWBXSA-N 2 1 246.351 -0.321 20 0 BBADMP COCCOC[C@@H](O)C[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000234683913 631659903 /nfs/dbraw/zinc/65/99/03/631659903.db2.gz VBLOEVXKHOEEDA-RYUDHWBXSA-N 2 1 246.351 -0.321 20 0 BBADMP COC[C@@H](C[N@H+]1CCC[NH2+]CC1)OC ZINC000234687434 487853238 /nfs/dbraw/zinc/85/32/38/487853238.db2.gz XRSCXZUNENCMAZ-SNVBAGLBSA-N 2 1 202.298 -0.057 20 0 BBADMP COC[C@@H](C[N@@H+]1CCC[NH2+]CC1)OC ZINC000234687434 487853232 /nfs/dbraw/zinc/85/32/32/487853232.db2.gz XRSCXZUNENCMAZ-SNVBAGLBSA-N 2 1 202.298 -0.057 20 0 BBADMP COC[C@@H](C[N@H+]1CC[C@@H](C[NH3+])C1)OC ZINC000234688998 487853080 /nfs/dbraw/zinc/85/30/80/487853080.db2.gz YIJSJNSUTSHWLB-VHSXEESVSA-N 2 1 202.298 -0.072 20 0 BBADMP COCCOC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000234695839 631664493 /nfs/dbraw/zinc/66/44/93/631664493.db2.gz UZLNENUGMXAJFH-RYUDHWBXSA-N 2 1 246.351 -0.319 20 0 BBADMP COC[C@H](C)OC[C@@H](O)C[N@@H+](C)CCC[NH3+] ZINC000234696879 635559755 /nfs/dbraw/zinc/55/97/55/635559755.db2.gz QRZZCKRHENFQHX-QWRGUYRKSA-N 2 1 234.340 -0.321 20 0 BBADMP COC[C@H](C[N@H+]1CCC[NH2+]CC1)OC ZINC000234701756 487862568 /nfs/dbraw/zinc/86/25/68/487862568.db2.gz XRSCXZUNENCMAZ-JTQLQIEISA-N 2 1 202.298 -0.057 20 0 BBADMP COC[C@H](C[N@@H+]1CCC[NH2+]CC1)OC ZINC000234701756 487862563 /nfs/dbraw/zinc/86/25/63/487862563.db2.gz XRSCXZUNENCMAZ-JTQLQIEISA-N 2 1 202.298 -0.057 20 0 BBADMP COC[C@H](C[N@H+]1CC[C@@H](C[NH3+])C1)OC ZINC000234702893 487860709 /nfs/dbraw/zinc/86/07/09/487860709.db2.gz YIJSJNSUTSHWLB-UWVGGRQHSA-N 2 1 202.298 -0.072 20 0 BBADMP COC[C@H](N)C(=O)N1CCN(C)C[C@@H]1C ZINC000234725520 388358489 /nfs/dbraw/zinc/35/84/89/388358489.db2.gz QAWFYXIYDOXRDF-IUCAKERBSA-N 2 1 215.297 -0.877 20 0 BBADMP CO[C@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000234855634 384904367 /nfs/dbraw/zinc/90/43/67/384904367.db2.gz JEXCBVAUMBEHCX-NSHDSACASA-N 2 1 241.335 -0.471 20 0 BBADMP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CCOCC[NH3+] ZINC000235280338 176196269 /nfs/dbraw/zinc/19/62/69/176196269.db2.gz LICDPXQNNFRERU-NXEZZACHSA-N 2 1 229.324 -0.453 20 0 BBADMP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CCOCC[NH3+] ZINC000235291064 176222275 /nfs/dbraw/zinc/22/22/75/176222275.db2.gz LICDPXQNNFRERU-ZJUUUORDSA-N 2 1 229.324 -0.453 20 0 BBADMP C[C@@]1(C(N)=O)CC[N@@H+](CCOCC[NH3+])C1 ZINC000235399273 487951006 /nfs/dbraw/zinc/95/10/06/487951006.db2.gz GXTPQQUVPFWGFR-SNVBAGLBSA-N 2 1 215.297 -0.841 20 0 BBADMP C[C@@]1(C(N)=O)CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000235436206 487636341 /nfs/dbraw/zinc/63/63/41/487636341.db2.gz QPNJYMQIRLFFGN-MWLCHTKSSA-N 2 1 211.309 -0.207 20 0 BBADMP C[C@@]1(C(N)=O)CC[N@@H+](C[C@@H]2CNCCO2)C1 ZINC000235436291 490162518 /nfs/dbraw/zinc/16/25/18/490162518.db2.gz WGCIXHZODAEMMH-GXSJLCMTSA-N 2 1 227.308 -0.828 20 0 BBADMP C[C@@]1(C(N)=O)CC[N@@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000235436307 632736461 /nfs/dbraw/zinc/73/64/61/632736461.db2.gz LNZILTGMRKZOKG-MWLCHTKSSA-N 2 1 211.309 -0.064 20 0 BBADMP C[C@@]1(C(N)=O)CC[N@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000235436307 632736456 /nfs/dbraw/zinc/73/64/56/632736456.db2.gz LNZILTGMRKZOKG-MWLCHTKSSA-N 2 1 211.309 -0.064 20 0 BBADMP C[C@@]1(C[NH3+])CC[N@@H+](CCN2CCOCC2)C1 ZINC000235438596 384232239 /nfs/dbraw/zinc/23/22/39/384232239.db2.gz CXPFGPLJZLJMLS-LBPRGKRZSA-N 2 1 227.352 -0.011 20 0 BBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000235448393 176267483 /nfs/dbraw/zinc/26/74/83/176267483.db2.gz BIDNBKHVLMCPJI-GHMZBOCLSA-N 2 1 241.335 -0.473 20 0 BBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000235448393 176267482 /nfs/dbraw/zinc/26/74/82/176267482.db2.gz BIDNBKHVLMCPJI-GHMZBOCLSA-N 2 1 241.335 -0.473 20 0 BBADMP C[C@@H]1CN(C)CC[N@H+]1CCOCC[NH3+] ZINC000235476793 176267078 /nfs/dbraw/zinc/26/70/78/176267078.db2.gz NECBVQDUKZIRJC-SNVBAGLBSA-N 2 1 201.314 -0.402 20 0 BBADMP C[C@@H]1CN(C)CC[N@@H+]1CCOCC[NH3+] ZINC000235476793 176267076 /nfs/dbraw/zinc/26/70/76/176267076.db2.gz NECBVQDUKZIRJC-SNVBAGLBSA-N 2 1 201.314 -0.402 20 0 BBADMP C[C@@H]1C[N@@H+](C)CCN1CCOCC[NH3+] ZINC000235476793 176267075 /nfs/dbraw/zinc/26/70/75/176267075.db2.gz NECBVQDUKZIRJC-SNVBAGLBSA-N 2 1 201.314 -0.402 20 0 BBADMP C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CCOCC[NH3+] ZINC000235575792 177182004 /nfs/dbraw/zinc/18/20/04/177182004.db2.gz LICDPXQNNFRERU-VHSXEESVSA-N 2 1 229.324 -0.453 20 0 BBADMP C[C@H]1CN(C)CC[N@H+]1CCOCC[NH3+] ZINC000235582833 388371528 /nfs/dbraw/zinc/37/15/28/388371528.db2.gz NECBVQDUKZIRJC-JTQLQIEISA-N 2 1 201.314 -0.402 20 0 BBADMP C[C@H]1CN(C)CC[N@@H+]1CCOCC[NH3+] ZINC000235582833 388371525 /nfs/dbraw/zinc/37/15/25/388371525.db2.gz NECBVQDUKZIRJC-JTQLQIEISA-N 2 1 201.314 -0.402 20 0 BBADMP C[C@H]1C[N@@H+](C)CCN1CCOCC[NH3+] ZINC000235582833 388371523 /nfs/dbraw/zinc/37/15/23/388371523.db2.gz NECBVQDUKZIRJC-JTQLQIEISA-N 2 1 201.314 -0.402 20 0 BBADMP C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CCOCC[NH3+] ZINC000235583988 177198425 /nfs/dbraw/zinc/19/84/25/177198425.db2.gz LICDPXQNNFRERU-UWVGGRQHSA-N 2 1 229.324 -0.453 20 0 BBADMP C[C@]1(C[NH3+])CC[N@@H+](CCN2CCOCC2)C1 ZINC000235707093 711524294 /nfs/dbraw/zinc/52/42/94/711524294.db2.gz CXPFGPLJZLJMLS-GFCCVEGCSA-N 2 1 227.352 -0.011 20 0 BBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000235718323 177233064 /nfs/dbraw/zinc/23/30/64/177233064.db2.gz BIDNBKHVLMCPJI-WDEREUQCSA-N 2 1 241.335 -0.473 20 0 BBADMP C[C@H]1C[N@H+](C)CCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000235718323 177233063 /nfs/dbraw/zinc/23/30/63/177233063.db2.gz BIDNBKHVLMCPJI-WDEREUQCSA-N 2 1 241.335 -0.473 20 0 BBADMP C[C@]1(C(N)=O)CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000235742074 488012864 /nfs/dbraw/zinc/01/28/64/488012864.db2.gz QPNJYMQIRLFFGN-KOLCDFICSA-N 2 1 211.309 -0.207 20 0 BBADMP C[C@]1(C(N)=O)CC[N@@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000235742212 632826137 /nfs/dbraw/zinc/82/61/37/632826137.db2.gz LNZILTGMRKZOKG-KOLCDFICSA-N 2 1 211.309 -0.064 20 0 BBADMP C[C@]1(C(N)=O)CC[N@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000235742212 632826134 /nfs/dbraw/zinc/82/61/34/632826134.db2.gz LNZILTGMRKZOKG-KOLCDFICSA-N 2 1 211.309 -0.064 20 0 BBADMP C[C@]1(C(N)=O)CC[N@@H+](CCOCC[NH3+])C1 ZINC000235747410 491069550 /nfs/dbraw/zinc/06/95/50/491069550.db2.gz GXTPQQUVPFWGFR-JTQLQIEISA-N 2 1 215.297 -0.841 20 0 BBADMP Cc1[nH+]ccn1CC[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000235789546 384696371 /nfs/dbraw/zinc/69/63/71/384696371.db2.gz YGVXAYYOBAWCAE-NXEZZACHSA-N 2 1 211.265 -0.771 20 0 BBADMP Cc1[nH+]ccn1CC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000235789633 384696334 /nfs/dbraw/zinc/69/63/34/384696334.db2.gz YGVXAYYOBAWCAE-UWVGGRQHSA-N 2 1 211.265 -0.771 20 0 BBADMP Cn1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)nn1 ZINC000236106888 632881110 /nfs/dbraw/zinc/88/11/10/632881110.db2.gz GMTQDSXLTSVCQE-SECBINFHSA-N 2 1 209.297 -0.014 20 0 BBADMP Cn1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)nn1 ZINC000236107263 632881767 /nfs/dbraw/zinc/88/17/67/632881767.db2.gz GMTQDSXLTSVCQE-VIFPVBQESA-N 2 1 209.297 -0.014 20 0 BBADMP NC(=O)C[N@@H+](CCOCC[NH3+])C1CCCC1 ZINC000236170134 488047975 /nfs/dbraw/zinc/04/79/75/488047975.db2.gz DVGPCOJEMQTLQC-UHFFFAOYSA-N 2 1 229.324 -0.308 20 0 BBADMP NC(=O)[C@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000236172915 192089395 /nfs/dbraw/zinc/08/93/95/192089395.db2.gz KNLLFYFYMNPGKB-SECBINFHSA-N 2 1 215.297 -0.699 20 0 BBADMP NC(=O)[C@@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000236173023 388378113 /nfs/dbraw/zinc/37/81/13/388378113.db2.gz KNLLFYFYMNPGKB-VIFPVBQESA-N 2 1 215.297 -0.699 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000236178400 488047870 /nfs/dbraw/zinc/04/78/70/488047870.db2.gz FPIKCEURZSUDMW-MNOVXSKESA-N 2 1 241.335 -0.438 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000236178518 488048053 /nfs/dbraw/zinc/04/80/53/488048053.db2.gz FPIKCEURZSUDMW-GHMZBOCLSA-N 2 1 241.335 -0.438 20 0 BBADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1COCC[NH2+]1 ZINC000236595773 384532093 /nfs/dbraw/zinc/53/20/93/384532093.db2.gz ROBSKZNAQHWGLS-MNOVXSKESA-N 2 1 243.351 -0.193 20 0 BBADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1COCC[NH2+]1 ZINC000236606359 188367902 /nfs/dbraw/zinc/36/79/02/188367902.db2.gz ROBSKZNAQHWGLS-GHMZBOCLSA-N 2 1 243.351 -0.193 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)NCCN1CC[NH2+]CC1 ZINC000236648870 384544216 /nfs/dbraw/zinc/54/42/16/384544216.db2.gz RZTBMZBKONSHGT-UHFFFAOYSA-N 2 1 242.367 -0.652 20 0 BBADMP CC(C)[C@H](CNC(=O)CC[NH3+])[NH+]1CCOCC1 ZINC000236657572 384546686 /nfs/dbraw/zinc/54/66/86/384546686.db2.gz SQZQVSBAWSMVNC-NSHDSACASA-N 2 1 243.351 -0.192 20 0 BBADMP CC(C)[C@H](CNC(=O)C[NH3+])[NH+]1CCOCC1 ZINC000236658090 188086782 /nfs/dbraw/zinc/08/67/82/188086782.db2.gz GGGMQDUOICKUIO-JTQLQIEISA-N 2 1 229.324 -0.582 20 0 BBADMP CC(C)[C@H](CNC(=O)[C@@H](C)[NH3+])[NH+]1CCOCC1 ZINC000236660802 384550535 /nfs/dbraw/zinc/55/05/35/384550535.db2.gz AFNIZXZNQUPMHQ-MNOVXSKESA-N 2 1 243.351 -0.193 20 0 BBADMP CC(C)[C@@H](CNC(=O)CC[NH3+])[NH+]1CCOCC1 ZINC000236680347 167398998 /nfs/dbraw/zinc/39/89/98/167398998.db2.gz SQZQVSBAWSMVNC-LLVKDONJSA-N 2 1 243.351 -0.192 20 0 BBADMP CC(C)[C@@H](CNC(=O)C[NH3+])[NH+]1CCOCC1 ZINC000236680753 167399798 /nfs/dbraw/zinc/39/97/98/167399798.db2.gz GGGMQDUOICKUIO-SNVBAGLBSA-N 2 1 229.324 -0.582 20 0 BBADMP CC(C)[C@@H](CNC(=O)[C@@H](C)[NH3+])[NH+]1CCOCC1 ZINC000236682767 167399048 /nfs/dbraw/zinc/39/90/48/167399048.db2.gz AFNIZXZNQUPMHQ-GHMZBOCLSA-N 2 1 243.351 -0.193 20 0 BBADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000236712671 387904902 /nfs/dbraw/zinc/90/49/02/387904902.db2.gz JQVPUQCEYCMNJE-MNOVXSKESA-N 2 1 243.351 -0.443 20 0 BBADMP CCCC[N@@H+](C)CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000236713261 535224452 /nfs/dbraw/zinc/22/44/52/535224452.db2.gz JQVPUQCEYCMNJE-GHMZBOCLSA-N 2 1 243.351 -0.443 20 0 BBADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1COCC[NH2+]1 ZINC000236757191 384560909 /nfs/dbraw/zinc/56/09/09/384560909.db2.gz ROBSKZNAQHWGLS-QWRGUYRKSA-N 2 1 243.351 -0.193 20 0 BBADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1COCC[NH2+]1 ZINC000236765225 384573047 /nfs/dbraw/zinc/57/30/47/384573047.db2.gz ROBSKZNAQHWGLS-WDEREUQCSA-N 2 1 243.351 -0.193 20 0 BBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CC[NH3+])C1 ZINC000236769095 344403561 /nfs/dbraw/zinc/40/35/61/344403561.db2.gz KNCOEADUOODSGE-NSHDSACASA-N 2 1 243.351 -0.192 20 0 BBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH3+])C1 ZINC000236769141 363458052 /nfs/dbraw/zinc/45/80/52/363458052.db2.gz CJCYHOZZCAWSAG-JTQLQIEISA-N 2 1 229.324 -0.582 20 0 BBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C)[NH3+])C1 ZINC000236769218 344403590 /nfs/dbraw/zinc/40/35/90/344403590.db2.gz ULNDKHGSACLMAZ-MNOVXSKESA-N 2 1 243.351 -0.193 20 0 BBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CC[NH3+])C1 ZINC000236769500 344403620 /nfs/dbraw/zinc/40/36/20/344403620.db2.gz KNCOEADUOODSGE-LLVKDONJSA-N 2 1 243.351 -0.192 20 0 BBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH3+])C1 ZINC000236769530 363458104 /nfs/dbraw/zinc/45/81/04/363458104.db2.gz CJCYHOZZCAWSAG-SNVBAGLBSA-N 2 1 229.324 -0.582 20 0 BBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H](C)[NH3+])C1 ZINC000236769590 344403521 /nfs/dbraw/zinc/40/35/21/344403521.db2.gz ULNDKHGSACLMAZ-GHMZBOCLSA-N 2 1 243.351 -0.193 20 0 BBADMP CCC([NH3+])(CC)CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000236785659 384580455 /nfs/dbraw/zinc/58/04/55/384580455.db2.gz YCWFGDPENHJNEC-VIFPVBQESA-N 2 1 229.324 -0.392 20 0 BBADMP CCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000236788177 169257911 /nfs/dbraw/zinc/25/79/11/169257911.db2.gz ZRSMFLQUJDVMQA-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP CCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000236788177 169257908 /nfs/dbraw/zinc/25/79/08/169257908.db2.gz ZRSMFLQUJDVMQA-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP CCC[NH2+]CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000236788370 169257949 /nfs/dbraw/zinc/25/79/49/169257949.db2.gz JVHBRNODXKBGIW-VIFPVBQESA-N 2 1 215.297 -0.909 20 0 BBADMP CCC([NH3+])(CC)CNC(=O)[C@H]1COCC[NH2+]1 ZINC000236796954 398316579 /nfs/dbraw/zinc/31/65/79/398316579.db2.gz YCWFGDPENHJNEC-SECBINFHSA-N 2 1 229.324 -0.392 20 0 BBADMP CC(C)OCC[NH+]1CCN(C(=O)CC[NH3+])CC1 ZINC000236802601 167231296 /nfs/dbraw/zinc/23/12/96/167231296.db2.gz WDIZXZSQAYQXCW-UHFFFAOYSA-N 2 1 243.351 -0.096 20 0 BBADMP CC(C)OCC[NH+]1CCN(C(=O)C[NH3+])CC1 ZINC000236802644 167232124 /nfs/dbraw/zinc/23/21/24/167232124.db2.gz CWUQDZLCUNLKSO-UHFFFAOYSA-N 2 1 229.324 -0.486 20 0 BBADMP CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000236804596 169259749 /nfs/dbraw/zinc/25/97/49/169259749.db2.gz ZRSMFLQUJDVMQA-LLVKDONJSA-N 2 1 243.351 -0.177 20 0 BBADMP CCC[NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000236804596 169259748 /nfs/dbraw/zinc/25/97/48/169259748.db2.gz ZRSMFLQUJDVMQA-LLVKDONJSA-N 2 1 243.351 -0.177 20 0 BBADMP CCC[NH2+]CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000236804757 169259224 /nfs/dbraw/zinc/25/92/24/169259224.db2.gz JVHBRNODXKBGIW-SECBINFHSA-N 2 1 215.297 -0.909 20 0 BBADMP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1COCC[NH2+]1 ZINC000236841077 168963523 /nfs/dbraw/zinc/96/35/23/168963523.db2.gz YVEAVMJQVPIIKV-UWVGGRQHSA-N 2 1 229.324 -0.392 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000236845734 170002778 /nfs/dbraw/zinc/00/27/78/170002778.db2.gz YURQAYVBFSEQMA-VHSXEESVSA-N 2 1 229.324 -0.487 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000236845734 170002777 /nfs/dbraw/zinc/00/27/77/170002777.db2.gz YURQAYVBFSEQMA-VHSXEESVSA-N 2 1 229.324 -0.487 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC(C)(C)[NH3+])C1 ZINC000236845817 170003552 /nfs/dbraw/zinc/00/35/52/170003552.db2.gz JPLCNNWFUWMCFZ-SECBINFHSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC(C)(C)[NH3+])C1 ZINC000236845817 170003550 /nfs/dbraw/zinc/00/35/50/170003550.db2.gz JPLCNNWFUWMCFZ-SECBINFHSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NCCCC[NH3+])C1 ZINC000236845902 170002888 /nfs/dbraw/zinc/00/28/88/170002888.db2.gz VGIIXFLUQQTNOH-SNVBAGLBSA-N 2 1 229.324 -0.438 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCCC[NH3+])C1 ZINC000236845902 170002887 /nfs/dbraw/zinc/00/28/87/170002887.db2.gz VGIIXFLUQQTNOH-SNVBAGLBSA-N 2 1 229.324 -0.438 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000236845946 170003941 /nfs/dbraw/zinc/00/39/41/170003941.db2.gz JMMNQEIEVFMFGK-VHSXEESVSA-N 2 1 229.324 -0.582 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000236845946 170003940 /nfs/dbraw/zinc/00/39/40/170003940.db2.gz JMMNQEIEVFMFGK-VHSXEESVSA-N 2 1 229.324 -0.582 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)C[NH2+]C)C1 ZINC000236845991 388384382 /nfs/dbraw/zinc/38/43/82/388384382.db2.gz GUGAEUKIHDSSQB-WDEREUQCSA-N 2 1 243.351 -0.321 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)C[NH2+]C)C1 ZINC000236845991 388384381 /nfs/dbraw/zinc/38/43/81/388384381.db2.gz GUGAEUKIHDSSQB-WDEREUQCSA-N 2 1 243.351 -0.321 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000236846073 170005711 /nfs/dbraw/zinc/00/57/11/170005711.db2.gz YURQAYVBFSEQMA-UWVGGRQHSA-N 2 1 229.324 -0.487 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000236846073 170005710 /nfs/dbraw/zinc/00/57/10/170005710.db2.gz YURQAYVBFSEQMA-UWVGGRQHSA-N 2 1 229.324 -0.487 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NCC(C)(C)[NH3+])C1 ZINC000236846131 170005389 /nfs/dbraw/zinc/00/53/89/170005389.db2.gz JPLCNNWFUWMCFZ-VIFPVBQESA-N 2 1 229.324 -0.439 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC(C)(C)[NH3+])C1 ZINC000236846131 170005387 /nfs/dbraw/zinc/00/53/87/170005387.db2.gz JPLCNNWFUWMCFZ-VIFPVBQESA-N 2 1 229.324 -0.439 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NCCCC[NH3+])C1 ZINC000236846189 170005240 /nfs/dbraw/zinc/00/52/40/170005240.db2.gz VGIIXFLUQQTNOH-JTQLQIEISA-N 2 1 229.324 -0.438 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NCCCC[NH3+])C1 ZINC000236846189 170005239 /nfs/dbraw/zinc/00/52/39/170005239.db2.gz VGIIXFLUQQTNOH-JTQLQIEISA-N 2 1 229.324 -0.438 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000236846219 170005428 /nfs/dbraw/zinc/00/54/28/170005428.db2.gz JMMNQEIEVFMFGK-UWVGGRQHSA-N 2 1 229.324 -0.582 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000236846219 170005427 /nfs/dbraw/zinc/00/54/27/170005427.db2.gz JMMNQEIEVFMFGK-UWVGGRQHSA-N 2 1 229.324 -0.582 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)C[NH2+]C)C1 ZINC000236846242 388384832 /nfs/dbraw/zinc/38/48/32/388384832.db2.gz GUGAEUKIHDSSQB-QWRGUYRKSA-N 2 1 243.351 -0.321 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)C[NH2+]C)C1 ZINC000236846242 388384830 /nfs/dbraw/zinc/38/48/30/388384830.db2.gz GUGAEUKIHDSSQB-QWRGUYRKSA-N 2 1 243.351 -0.321 20 0 BBADMP CCCC[C@@H](C[NH3+])NC(=O)[C@H]1COCC[NH2+]1 ZINC000236852819 344412487 /nfs/dbraw/zinc/41/24/87/344412487.db2.gz YVEAVMJQVPIIKV-VHSXEESVSA-N 2 1 229.324 -0.392 20 0 BBADMP CC[N@@H+](CCNC(=O)[C@@H]1C[NH2+]CCO1)C(C)C ZINC000236861944 388384644 /nfs/dbraw/zinc/38/46/44/388384644.db2.gz IFOVHBBDIGFVBY-NSHDSACASA-N 2 1 243.351 -0.179 20 0 BBADMP CC[N@@H+](CCNC(=O)[C@@H]1COCC[NH2+]1)C(C)C ZINC000236862053 388384172 /nfs/dbraw/zinc/38/41/72/388384172.db2.gz FGOZHWKYZONUIL-NSHDSACASA-N 2 1 243.351 -0.179 20 0 BBADMP CC[N@H+](CCNC(=O)[C@@H]1COCC[NH2+]1)C(C)C ZINC000236862053 388384168 /nfs/dbraw/zinc/38/41/68/388384168.db2.gz FGOZHWKYZONUIL-NSHDSACASA-N 2 1 243.351 -0.179 20 0 BBADMP CC[N@@H+](CCNC(=O)[C@H]1C[NH2+]CCO1)C(C)C ZINC000236863944 388384615 /nfs/dbraw/zinc/38/46/15/388384615.db2.gz IFOVHBBDIGFVBY-LLVKDONJSA-N 2 1 243.351 -0.179 20 0 BBADMP CC[N@@H+](CCNC(=O)[C@H]1COCC[NH2+]1)C(C)C ZINC000236863982 388384578 /nfs/dbraw/zinc/38/45/78/388384578.db2.gz FGOZHWKYZONUIL-LLVKDONJSA-N 2 1 243.351 -0.179 20 0 BBADMP CC[N@H+](CCNC(=O)[C@H]1COCC[NH2+]1)C(C)C ZINC000236863982 388384576 /nfs/dbraw/zinc/38/45/76/388384576.db2.gz FGOZHWKYZONUIL-LLVKDONJSA-N 2 1 243.351 -0.179 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000236897953 170004025 /nfs/dbraw/zinc/00/40/25/170004025.db2.gz SNYSAWBPSBFFKP-GHMZBOCLSA-N 2 1 241.335 -0.343 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000236897953 170004024 /nfs/dbraw/zinc/00/40/24/170004024.db2.gz SNYSAWBPSBFFKP-GHMZBOCLSA-N 2 1 241.335 -0.343 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000236898035 170004028 /nfs/dbraw/zinc/00/40/28/170004028.db2.gz ROKJBKOEZMBSPR-WDEREUQCSA-N 2 1 241.335 -0.473 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000236898035 170004027 /nfs/dbraw/zinc/00/40/27/170004027.db2.gz ROKJBKOEZMBSPR-WDEREUQCSA-N 2 1 241.335 -0.473 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000236898078 170003256 /nfs/dbraw/zinc/00/32/56/170003256.db2.gz NVERUYIVQMAHBU-NXEZZACHSA-N 2 1 227.308 -0.733 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000236898078 170003255 /nfs/dbraw/zinc/00/32/55/170003255.db2.gz NVERUYIVQMAHBU-NXEZZACHSA-N 2 1 227.308 -0.733 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000236898113 387910703 /nfs/dbraw/zinc/91/07/03/387910703.db2.gz NVERUYIVQMAHBU-VHSXEESVSA-N 2 1 227.308 -0.733 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000236898113 387910699 /nfs/dbraw/zinc/91/06/99/387910699.db2.gz NVERUYIVQMAHBU-VHSXEESVSA-N 2 1 227.308 -0.733 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000236898611 170003805 /nfs/dbraw/zinc/00/38/05/170003805.db2.gz ABMKFTWJYUIUPB-GHMZBOCLSA-N 2 1 241.335 -0.439 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000236898611 170003804 /nfs/dbraw/zinc/00/38/04/170003804.db2.gz ABMKFTWJYUIUPB-GHMZBOCLSA-N 2 1 241.335 -0.439 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000236898789 170003292 /nfs/dbraw/zinc/00/32/92/170003292.db2.gz OMDWPPUXLHTVBL-WDEREUQCSA-N 2 1 241.335 -0.439 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000236898789 170003291 /nfs/dbraw/zinc/00/32/91/170003291.db2.gz OMDWPPUXLHTVBL-WDEREUQCSA-N 2 1 241.335 -0.439 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000236898929 170004019 /nfs/dbraw/zinc/00/40/19/170004019.db2.gz JEWJAWAXRKGJSV-GHMZBOCLSA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000236898929 170004018 /nfs/dbraw/zinc/00/40/18/170004018.db2.gz JEWJAWAXRKGJSV-GHMZBOCLSA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000236899046 170003724 /nfs/dbraw/zinc/00/37/24/170003724.db2.gz JEWJAWAXRKGJSV-WDEREUQCSA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000236899046 170003723 /nfs/dbraw/zinc/00/37/23/170003723.db2.gz JEWJAWAXRKGJSV-WDEREUQCSA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000236899790 170005676 /nfs/dbraw/zinc/00/56/76/170005676.db2.gz SNYSAWBPSBFFKP-MNOVXSKESA-N 2 1 241.335 -0.343 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000236899790 170005675 /nfs/dbraw/zinc/00/56/75/170005675.db2.gz SNYSAWBPSBFFKP-MNOVXSKESA-N 2 1 241.335 -0.343 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000236899852 170004394 /nfs/dbraw/zinc/00/43/94/170004394.db2.gz ROKJBKOEZMBSPR-QWRGUYRKSA-N 2 1 241.335 -0.473 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000236899852 170004392 /nfs/dbraw/zinc/00/43/92/170004392.db2.gz ROKJBKOEZMBSPR-QWRGUYRKSA-N 2 1 241.335 -0.473 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000236899887 170005511 /nfs/dbraw/zinc/00/55/11/170005511.db2.gz NVERUYIVQMAHBU-ZJUUUORDSA-N 2 1 227.308 -0.733 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000236899887 170005510 /nfs/dbraw/zinc/00/55/10/170005510.db2.gz NVERUYIVQMAHBU-ZJUUUORDSA-N 2 1 227.308 -0.733 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000236899921 387910763 /nfs/dbraw/zinc/91/07/63/387910763.db2.gz NVERUYIVQMAHBU-UWVGGRQHSA-N 2 1 227.308 -0.733 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000236899921 387910757 /nfs/dbraw/zinc/91/07/57/387910757.db2.gz NVERUYIVQMAHBU-UWVGGRQHSA-N 2 1 227.308 -0.733 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000236900271 170004290 /nfs/dbraw/zinc/00/42/90/170004290.db2.gz ABMKFTWJYUIUPB-MNOVXSKESA-N 2 1 241.335 -0.439 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000236900271 170004288 /nfs/dbraw/zinc/00/42/88/170004288.db2.gz ABMKFTWJYUIUPB-MNOVXSKESA-N 2 1 241.335 -0.439 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000236900388 170006676 /nfs/dbraw/zinc/00/66/76/170006676.db2.gz OMDWPPUXLHTVBL-QWRGUYRKSA-N 2 1 241.335 -0.439 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000236900388 170006675 /nfs/dbraw/zinc/00/66/75/170006675.db2.gz OMDWPPUXLHTVBL-QWRGUYRKSA-N 2 1 241.335 -0.439 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000236900479 170006896 /nfs/dbraw/zinc/00/68/96/170006896.db2.gz JEWJAWAXRKGJSV-MNOVXSKESA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000236900479 170006895 /nfs/dbraw/zinc/00/68/95/170006895.db2.gz JEWJAWAXRKGJSV-MNOVXSKESA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000236900571 170006189 /nfs/dbraw/zinc/00/61/89/170006189.db2.gz JEWJAWAXRKGJSV-QWRGUYRKSA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000236900571 170006187 /nfs/dbraw/zinc/00/61/87/170006187.db2.gz JEWJAWAXRKGJSV-QWRGUYRKSA-N 2 1 241.335 -0.425 20 0 BBADMP CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000236906651 388385776 /nfs/dbraw/zinc/38/57/76/388385776.db2.gz APKJMLFFPSPPDB-QWRGUYRKSA-N 2 1 243.351 -0.049 20 0 BBADMP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1COCC[NH2+]1 ZINC000236907531 169002574 /nfs/dbraw/zinc/00/25/74/169002574.db2.gz YVEAVMJQVPIIKV-ZJUUUORDSA-N 2 1 229.324 -0.392 20 0 BBADMP CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000236911858 398117692 /nfs/dbraw/zinc/11/76/92/398117692.db2.gz APKJMLFFPSPPDB-MNOVXSKESA-N 2 1 243.351 -0.049 20 0 BBADMP CCCC[C@H](C[NH3+])NC(=O)[C@H]1COCC[NH2+]1 ZINC000236917992 169002279 /nfs/dbraw/zinc/00/22/79/169002279.db2.gz YVEAVMJQVPIIKV-NXEZZACHSA-N 2 1 229.324 -0.392 20 0 BBADMP CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000236936323 170114534 /nfs/dbraw/zinc/11/45/34/170114534.db2.gz WRZNBICEKYFGPB-JTQLQIEISA-N 2 1 229.324 -0.567 20 0 BBADMP CC[NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000236936323 170114532 /nfs/dbraw/zinc/11/45/32/170114532.db2.gz WRZNBICEKYFGPB-JTQLQIEISA-N 2 1 229.324 -0.567 20 0 BBADMP CC[C@H]([NH3+])C(=O)N[C@H](C)CC[NH+]1CCOCC1 ZINC000236937786 398118297 /nfs/dbraw/zinc/11/82/97/398118297.db2.gz XWBHUUSULQJLIK-MNOVXSKESA-N 2 1 243.351 -0.049 20 0 BBADMP CC[NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000236951557 170114850 /nfs/dbraw/zinc/11/48/50/170114850.db2.gz WRZNBICEKYFGPB-SNVBAGLBSA-N 2 1 229.324 -0.567 20 0 BBADMP CC[NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000236951557 170114849 /nfs/dbraw/zinc/11/48/49/170114849.db2.gz WRZNBICEKYFGPB-SNVBAGLBSA-N 2 1 229.324 -0.567 20 0 BBADMP CC[NH2+]CCNC(=O)c1csc(C[NH3+])n1 ZINC000236981284 388387941 /nfs/dbraw/zinc/38/79/41/388387941.db2.gz MPQCVSFXOSCRGF-UHFFFAOYSA-N 2 1 228.321 -0.059 20 0 BBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH3+] ZINC000237083709 174306700 /nfs/dbraw/zinc/30/67/00/174306700.db2.gz ONEFKOIGKFYNAE-SNVBAGLBSA-N 2 1 243.351 -0.049 20 0 BBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C1([NH3+])CC1 ZINC000237083796 174306748 /nfs/dbraw/zinc/30/67/48/174306748.db2.gz ICOQUXPRGDYXPF-SNVBAGLBSA-N 2 1 241.335 -0.295 20 0 BBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH3+] ZINC000237084780 174307432 /nfs/dbraw/zinc/30/74/32/174307432.db2.gz DPQXCDOGVQBTDB-SNVBAGLBSA-N 2 1 229.324 -0.438 20 0 BBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C[NH3+] ZINC000237084872 174307063 /nfs/dbraw/zinc/30/70/63/174307063.db2.gz OUYXHOWROCTCDG-SECBINFHSA-N 2 1 215.297 -0.828 20 0 BBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH3+] ZINC000237091385 174308284 /nfs/dbraw/zinc/30/82/84/174308284.db2.gz ONEFKOIGKFYNAE-JTQLQIEISA-N 2 1 243.351 -0.049 20 0 BBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C1([NH3+])CC1 ZINC000237091445 174307912 /nfs/dbraw/zinc/30/79/12/174307912.db2.gz ICOQUXPRGDYXPF-JTQLQIEISA-N 2 1 241.335 -0.295 20 0 BBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)CC[NH3+] ZINC000237091721 174307918 /nfs/dbraw/zinc/30/79/18/174307918.db2.gz DPQXCDOGVQBTDB-JTQLQIEISA-N 2 1 229.324 -0.438 20 0 BBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C[NH3+] ZINC000237091787 174309192 /nfs/dbraw/zinc/30/91/92/174309192.db2.gz OUYXHOWROCTCDG-VIFPVBQESA-N 2 1 215.297 -0.828 20 0 BBADMP COCC[NH+]1CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000237096660 488102479 /nfs/dbraw/zinc/10/24/79/488102479.db2.gz GUKKFEBUIQFGNL-UHFFFAOYSA-N 2 1 243.351 -0.096 20 0 BBADMP COCC[NH+]1CCN(C(=O)CCC[NH3+])CC1 ZINC000237096725 174308596 /nfs/dbraw/zinc/30/85/96/174308596.db2.gz HKZZCRFLTIYZBG-UHFFFAOYSA-N 2 1 229.324 -0.484 20 0 BBADMP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+](CCOC)CC1 ZINC000237161676 173362407 /nfs/dbraw/zinc/36/24/07/173362407.db2.gz GGLJKJVYWVIUID-LLVKDONJSA-N 2 1 243.351 -0.368 20 0 BBADMP COCCC[N@@H+](C)CCNC(=O)C(C)(C)[NH3+] ZINC000237188818 174216510 /nfs/dbraw/zinc/21/65/10/174216510.db2.gz OGKPMYVVLCRTQJ-UHFFFAOYSA-N 2 1 231.340 -0.192 20 0 BBADMP COCCC[N@@H+](C)CCNC(=O)C1([NH3+])CC1 ZINC000237188902 174215917 /nfs/dbraw/zinc/21/59/17/174215917.db2.gz UEXBOINEAQIFAQ-UHFFFAOYSA-N 2 1 229.324 -0.438 20 0 BBADMP COCCC[N@@H+](C)CCNC(=O)CCC[NH3+] ZINC000237189264 174216351 /nfs/dbraw/zinc/21/63/51/174216351.db2.gz WKHGKZTWGZGJBO-UHFFFAOYSA-N 2 1 231.340 -0.190 20 0 BBADMP COCCC[N@@H+](C)CCNC(=O)CC[NH3+] ZINC000237189309 174216797 /nfs/dbraw/zinc/21/67/97/174216797.db2.gz PUUFAEUNUCJJIO-UHFFFAOYSA-N 2 1 217.313 -0.580 20 0 BBADMP COCCC[N@@H+](C)CCNC(=O)C[NH3+] ZINC000237189352 174216037 /nfs/dbraw/zinc/21/60/37/174216037.db2.gz VNUULQHEATWCDU-UHFFFAOYSA-N 2 1 203.286 -0.970 20 0 BBADMP COCCC[N@@H+](C)CCNC(=O)[C@@H](C)[NH3+] ZINC000237189808 174216061 /nfs/dbraw/zinc/21/60/61/174216061.db2.gz DABQNNPIVTYYMJ-SECBINFHSA-N 2 1 217.313 -0.582 20 0 BBADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000237190166 174215890 /nfs/dbraw/zinc/21/58/90/174215890.db2.gz OSGYPLKCWZRRFN-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000237190210 174214960 /nfs/dbraw/zinc/21/49/60/174214960.db2.gz DPWXIYMNMCUXMN-LLVKDONJSA-N 2 1 243.351 -0.320 20 0 BBADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000237190746 174215597 /nfs/dbraw/zinc/21/55/97/174215597.db2.gz OSGYPLKCWZRRFN-LLVKDONJSA-N 2 1 243.351 -0.177 20 0 BBADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000237190780 174216025 /nfs/dbraw/zinc/21/60/25/174216025.db2.gz DPWXIYMNMCUXMN-NSHDSACASA-N 2 1 243.351 -0.320 20 0 BBADMP C[NH2+]CC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237221905 173328830 /nfs/dbraw/zinc/32/88/30/173328830.db2.gz NCVZUJUUVXFDLM-PHIMTYICSA-N 2 1 243.351 -0.179 20 0 BBADMP C[NH2+]CC(=O)NCC[N@@H+](C)CCCOC ZINC000237224055 173328688 /nfs/dbraw/zinc/32/86/88/173328688.db2.gz BBGJTEJAFZDDKC-UHFFFAOYSA-N 2 1 217.313 -0.710 20 0 BBADMP C[NH2+]CC(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000237234078 173330440 /nfs/dbraw/zinc/33/04/40/173330440.db2.gz GJDUJAYFRKBDAW-JTQLQIEISA-N 2 1 229.324 -0.567 20 0 BBADMP C[NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000237234527 173330396 /nfs/dbraw/zinc/33/03/96/173330396.db2.gz VZEAQPIRXUUXNR-LLVKDONJSA-N 2 1 243.351 -0.321 20 0 BBADMP C[NH2+]CC(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000237238167 173330658 /nfs/dbraw/zinc/33/06/58/173330658.db2.gz GJDUJAYFRKBDAW-SNVBAGLBSA-N 2 1 229.324 -0.567 20 0 BBADMP C[NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000237238507 173330743 /nfs/dbraw/zinc/33/07/43/173330743.db2.gz VZEAQPIRXUUXNR-NSHDSACASA-N 2 1 243.351 -0.321 20 0 BBADMP C[NH2+]CC(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000237251627 388391769 /nfs/dbraw/zinc/39/17/69/388391769.db2.gz ATLIDUUOORNDDM-JTQLQIEISA-N 2 1 229.324 -0.567 20 0 BBADMP C[NH2+]CC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000237265017 173332212 /nfs/dbraw/zinc/33/22/12/173332212.db2.gz ISKFABSBLYBIEU-RKDXNWHRSA-N 2 1 211.309 -0.053 20 0 BBADMP C[NH2+]CC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000237265046 173331317 /nfs/dbraw/zinc/33/13/17/173331317.db2.gz ISKFABSBLYBIEU-DTWKUNHWSA-N 2 1 211.309 -0.053 20 0 BBADMP C[NH2+]CC(=O)N[C@H](C)CC[NH+]1CCOCC1 ZINC000237266473 388391621 /nfs/dbraw/zinc/39/16/21/388391621.db2.gz ATLIDUUOORNDDM-SNVBAGLBSA-N 2 1 229.324 -0.567 20 0 BBADMP C[NH2+]CC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000237275948 173332699 /nfs/dbraw/zinc/33/26/99/173332699.db2.gz ISKFABSBLYBIEU-BDAKNGLRSA-N 2 1 211.309 -0.053 20 0 BBADMP C[NH2+]CC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000237275985 173333244 /nfs/dbraw/zinc/33/32/44/173333244.db2.gz ISKFABSBLYBIEU-IUCAKERBSA-N 2 1 211.309 -0.053 20 0 BBADMP COCC[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC000237277006 174332286 /nfs/dbraw/zinc/33/22/86/174332286.db2.gz VOZOYYBPCDVNII-UHFFFAOYSA-N 2 1 231.340 -0.321 20 0 BBADMP C[NH2+]C[C@H](C)C(=O)N1CC[NH+](CCOC)CC1 ZINC000237292154 173374211 /nfs/dbraw/zinc/37/42/11/173374211.db2.gz GGLJKJVYWVIUID-NSHDSACASA-N 2 1 243.351 -0.368 20 0 BBADMP C[C@@H](C[NH3+])CNC(=O)[C@H]1CSC[NH2+]1 ZINC000237360909 343135221 /nfs/dbraw/zinc/13/52/21/343135221.db2.gz PZXSKQQYEFQLEE-NKWVEPMBSA-N 2 1 203.311 -0.640 20 0 BBADMP C[C@H](CNC(=O)C1([NH3+])CC1)C[NH+]1CCOCC1 ZINC000237377908 384160137 /nfs/dbraw/zinc/16/01/37/384160137.db2.gz SCJWCIRUJHLJSZ-SNVBAGLBSA-N 2 1 241.335 -0.438 20 0 BBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C[NH3+])C[C@@H](C)O1 ZINC000237446721 176265798 /nfs/dbraw/zinc/26/57/98/176265798.db2.gz NXFFWQAPLRFMKW-NXEZZACHSA-N 2 1 243.351 -0.051 20 0 BBADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)C(C)(C)[NH3+] ZINC000237447715 388394589 /nfs/dbraw/zinc/39/45/89/388394589.db2.gz RAPWZICEHPLKHR-SNVBAGLBSA-N 2 1 243.351 -0.049 20 0 BBADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)C1([NH3+])CC1 ZINC000237447815 398112222 /nfs/dbraw/zinc/11/22/22/398112222.db2.gz PHNCGTTZNPHMKC-SNVBAGLBSA-N 2 1 241.335 -0.295 20 0 BBADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)CCC[NH3+] ZINC000237448301 388394605 /nfs/dbraw/zinc/39/46/05/388394605.db2.gz LQFMZNKYNVHVHT-LLVKDONJSA-N 2 1 243.351 -0.048 20 0 BBADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)CC[NH3+] ZINC000237448347 388394802 /nfs/dbraw/zinc/39/48/02/388394802.db2.gz KWLIRVOJZBJULQ-SNVBAGLBSA-N 2 1 229.324 -0.438 20 0 BBADMP C[C@@H]([NH3+])C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237459278 177249976 /nfs/dbraw/zinc/24/99/76/177249976.db2.gz PEVIBVIXLWSRSS-OUAUKWLOSA-N 2 1 243.351 -0.051 20 0 BBADMP C[C@@H]([NH3+])C(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000237470953 136272331 /nfs/dbraw/zinc/27/23/31/136272331.db2.gz SAGDVWGJUHVXDP-VHSXEESVSA-N 2 1 229.324 -0.439 20 0 BBADMP C[C@@H]([NH3+])C(=O)N[C@H](C)CC[NH+]1CCOCC1 ZINC000237474285 136272229 /nfs/dbraw/zinc/27/22/29/136272229.db2.gz SAGDVWGJUHVXDP-NXEZZACHSA-N 2 1 229.324 -0.439 20 0 BBADMP C[C@@H](CNC(=O)C1([NH3+])CC1)C[NH+]1CCOCC1 ZINC000237522691 384264295 /nfs/dbraw/zinc/26/42/95/384264295.db2.gz SCJWCIRUJHLJSZ-JTQLQIEISA-N 2 1 241.335 -0.438 20 0 BBADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)C(C)(C)[NH3+] ZINC000237552885 388397032 /nfs/dbraw/zinc/39/70/32/388397032.db2.gz RAPWZICEHPLKHR-JTQLQIEISA-N 2 1 243.351 -0.049 20 0 BBADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)C1([NH3+])CC1 ZINC000237552953 387926605 /nfs/dbraw/zinc/92/66/05/387926605.db2.gz PHNCGTTZNPHMKC-JTQLQIEISA-N 2 1 241.335 -0.295 20 0 BBADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)CCC[NH3+] ZINC000237553339 388396629 /nfs/dbraw/zinc/39/66/29/388396629.db2.gz LQFMZNKYNVHVHT-NSHDSACASA-N 2 1 243.351 -0.048 20 0 BBADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)CC[NH3+] ZINC000237553375 388396794 /nfs/dbraw/zinc/39/67/94/388396794.db2.gz KWLIRVOJZBJULQ-JTQLQIEISA-N 2 1 229.324 -0.438 20 0 BBADMP C[C@H](C[NH3+])CNC(=O)[C@H]1CSC[NH2+]1 ZINC000237554584 343147899 /nfs/dbraw/zinc/14/78/99/343147899.db2.gz PZXSKQQYEFQLEE-RNFRBKRXSA-N 2 1 203.311 -0.640 20 0 BBADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C[NH3+])C[C@H](C)O1 ZINC000237621887 177232863 /nfs/dbraw/zinc/23/28/63/177232863.db2.gz NXFFWQAPLRFMKW-AOOOYVTPSA-N 2 1 243.351 -0.051 20 0 BBADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C[NH3+])C[C@H](C)O1 ZINC000237621887 177232862 /nfs/dbraw/zinc/23/28/62/177232862.db2.gz NXFFWQAPLRFMKW-AOOOYVTPSA-N 2 1 243.351 -0.051 20 0 BBADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C[NH3+])C[C@H](C)O1 ZINC000237621916 177233092 /nfs/dbraw/zinc/23/30/92/177233092.db2.gz NXFFWQAPLRFMKW-UWVGGRQHSA-N 2 1 243.351 -0.051 20 0 BBADMP C[C@@H]1C[N@H+](CCCCNC(=O)C[NH3+])C[C@H](C)O1 ZINC000237622517 177247719 /nfs/dbraw/zinc/24/77/19/177247719.db2.gz NNEIPNXTONGDPY-PHIMTYICSA-N 2 1 243.351 -0.049 20 0 BBADMP C[C@@H]1C[N@H+](CCCNC(=O)CC[NH3+])C[C@H](C)O1 ZINC000237623073 177249468 /nfs/dbraw/zinc/24/94/68/177249468.db2.gz QYJGEUQSUJEPMA-PHIMTYICSA-N 2 1 243.351 -0.049 20 0 BBADMP C[C@@H]1C[N@H+](CCCNC(=O)C[NH3+])C[C@H](C)O1 ZINC000237623141 177249318 /nfs/dbraw/zinc/24/93/18/177249318.db2.gz TTZHQCRNAUPLTA-AOOOYVTPSA-N 2 1 229.324 -0.439 20 0 BBADMP [NH3+]C1(CNC(=O)[C@@H]2COCC[NH2+]2)CCCCC1 ZINC000237832800 387928417 /nfs/dbraw/zinc/92/84/17/387928417.db2.gz QCPFAAXUILYYHY-JTQLQIEISA-N 2 1 241.335 -0.247 20 0 BBADMP [NH3+]C1(CNC(=O)[C@H]2COCC[NH2+]2)CCCCC1 ZINC000237833623 387929646 /nfs/dbraw/zinc/92/96/46/387929646.db2.gz QCPFAAXUILYYHY-SNVBAGLBSA-N 2 1 241.335 -0.247 20 0 BBADMP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1COCC[NH2+]1 ZINC000237998192 384460154 /nfs/dbraw/zinc/46/01/54/384460154.db2.gz DUGYJGAFJXTINE-GUBZILKMSA-N 2 1 227.308 -0.782 20 0 BBADMP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1COCC[NH2+]1 ZINC000238035853 181433234 /nfs/dbraw/zinc/43/32/34/181433234.db2.gz DUGYJGAFJXTINE-AEJSXWLSSA-N 2 1 227.308 -0.782 20 0 BBADMP O=C(NCC[C@@H]1CCC[NH2+]C1)[C@@H]1COCC[NH2+]1 ZINC000238141095 182198820 /nfs/dbraw/zinc/19/88/20/182198820.db2.gz ZMDCRAFOPXSYFA-QWRGUYRKSA-N 2 1 241.335 -0.519 20 0 BBADMP O=C(NCC[C@@H]1CCC[NH2+]C1)[C@H]1COCC[NH2+]1 ZINC000238142829 182198884 /nfs/dbraw/zinc/19/88/84/182198884.db2.gz ZMDCRAFOPXSYFA-WDEREUQCSA-N 2 1 241.335 -0.519 20 0 BBADMP O=C(NCC[C@H]1CCC[NH2+]C1)[C@@H]1COCC[NH2+]1 ZINC000238151806 182200576 /nfs/dbraw/zinc/20/05/76/182200576.db2.gz ZMDCRAFOPXSYFA-MNOVXSKESA-N 2 1 241.335 -0.519 20 0 BBADMP O=C(NCC[C@H]1CCC[NH2+]C1)[C@H]1COCC[NH2+]1 ZINC000238154132 182201395 /nfs/dbraw/zinc/20/13/95/182201395.db2.gz ZMDCRAFOPXSYFA-GHMZBOCLSA-N 2 1 241.335 -0.519 20 0 BBADMP C[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000238307646 360835734 /nfs/dbraw/zinc/83/57/34/360835734.db2.gz PBZAGYRXIJEZCA-SECBINFHSA-N 2 1 212.297 -0.695 20 0 BBADMP C[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000238307669 384500815 /nfs/dbraw/zinc/50/08/15/384500815.db2.gz PBZAGYRXIJEZCA-VIFPVBQESA-N 2 1 212.297 -0.695 20 0 BBADMP NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000238544497 385216147 /nfs/dbraw/zinc/21/61/47/385216147.db2.gz GBCBHYGJABZYKG-NXEZZACHSA-N 2 1 211.309 -0.207 20 0 BBADMP NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000238544568 388402063 /nfs/dbraw/zinc/40/20/63/388402063.db2.gz GBCBHYGJABZYKG-ZJUUUORDSA-N 2 1 211.309 -0.207 20 0 BBADMP C[NH+](C)CCCNC(=O)CN1CC[NH+](C)CC1 ZINC000243476796 369399101 /nfs/dbraw/zinc/39/91/01/369399101.db2.gz NMGGWXOIBKOZHK-UHFFFAOYSA-N 2 1 242.367 -0.698 20 0 BBADMP C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000245462756 388581763 /nfs/dbraw/zinc/58/17/63/388581763.db2.gz OCMUKKYZSGDGMM-GHMZBOCLSA-N 2 1 241.335 -0.473 20 0 BBADMP C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000245462756 388581761 /nfs/dbraw/zinc/58/17/61/388581761.db2.gz OCMUKKYZSGDGMM-GHMZBOCLSA-N 2 1 241.335 -0.473 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000245462756 388581759 /nfs/dbraw/zinc/58/17/59/388581759.db2.gz OCMUKKYZSGDGMM-GHMZBOCLSA-N 2 1 241.335 -0.473 20 0 BBADMP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000245462756 388581757 /nfs/dbraw/zinc/58/17/57/388581757.db2.gz OCMUKKYZSGDGMM-GHMZBOCLSA-N 2 1 241.335 -0.473 20 0 BBADMP C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000245462757 388581246 /nfs/dbraw/zinc/58/12/46/388581246.db2.gz OCMUKKYZSGDGMM-MNOVXSKESA-N 2 1 241.335 -0.473 20 0 BBADMP C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000245462757 388581244 /nfs/dbraw/zinc/58/12/44/388581244.db2.gz OCMUKKYZSGDGMM-MNOVXSKESA-N 2 1 241.335 -0.473 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000245462757 388581242 /nfs/dbraw/zinc/58/12/42/388581242.db2.gz OCMUKKYZSGDGMM-MNOVXSKESA-N 2 1 241.335 -0.473 20 0 BBADMP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000245462757 388581240 /nfs/dbraw/zinc/58/12/40/388581240.db2.gz OCMUKKYZSGDGMM-MNOVXSKESA-N 2 1 241.335 -0.473 20 0 BBADMP C[C@@H]1CN(C(=O)[C@H]2COCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC000246366132 388633985 /nfs/dbraw/zinc/63/39/85/388633985.db2.gz AFTRWVMRNOQREO-KXUCPTDWSA-N 2 1 227.308 -0.816 20 0 BBADMP C[C@@H]1CN(C(=O)[C@H]2COCC[NH2+]2)C[C@@H](C)[NH2+]1 ZINC000246366151 388633493 /nfs/dbraw/zinc/63/34/93/388633493.db2.gz AFTRWVMRNOQREO-OPRDCNLKSA-N 2 1 227.308 -0.816 20 0 BBADMP C[NH2+]CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246480774 173328179 /nfs/dbraw/zinc/32/81/79/173328179.db2.gz LJJPWSSKBJUAPJ-ZJUUUORDSA-N 2 1 211.309 -0.099 20 0 BBADMP CC[C@H]1CN(C(=O)[C@@H](C)[NH3+])CC[N@H+]1C[C@H](C)O ZINC000246571011 388643842 /nfs/dbraw/zinc/64/38/42/388643842.db2.gz UZOKTDCYTDRKFH-AXFHLTTASA-N 2 1 243.351 -0.363 20 0 BBADMP CC[C@H]1CN(C(=O)[C@@H](C)[NH3+])CC[N@@H+]1C[C@H](C)O ZINC000246571011 388643841 /nfs/dbraw/zinc/64/38/41/388643841.db2.gz UZOKTDCYTDRKFH-AXFHLTTASA-N 2 1 243.351 -0.363 20 0 BBADMP CC[C@H]1CN(C(=O)[C@H](C)[NH3+])CC[N@H+]1C[C@H](C)O ZINC000246571023 388644360 /nfs/dbraw/zinc/64/43/60/388644360.db2.gz UZOKTDCYTDRKFH-DCAQKATOSA-N 2 1 243.351 -0.363 20 0 BBADMP CC[C@H]1CN(C(=O)[C@H](C)[NH3+])CC[N@@H+]1C[C@H](C)O ZINC000246571023 388644358 /nfs/dbraw/zinc/64/43/58/388644358.db2.gz UZOKTDCYTDRKFH-DCAQKATOSA-N 2 1 243.351 -0.363 20 0 BBADMP CC[C@@H]1CN(C(=O)[C@H](C)[NH3+])CC[N@H+]1C[C@H](C)O ZINC000246571033 171068228 /nfs/dbraw/zinc/06/82/28/171068228.db2.gz UZOKTDCYTDRKFH-GARJFASQSA-N 2 1 243.351 -0.363 20 0 BBADMP CC[C@@H]1CN(C(=O)[C@H](C)[NH3+])CC[N@@H+]1C[C@H](C)O ZINC000246571033 171068226 /nfs/dbraw/zinc/06/82/26/171068226.db2.gz UZOKTDCYTDRKFH-GARJFASQSA-N 2 1 243.351 -0.363 20 0 BBADMP CC[C@@H]1CN(C(=O)[C@@H](C)[NH3+])CC[N@H+]1C[C@H](C)O ZINC000246571045 171067440 /nfs/dbraw/zinc/06/74/40/171067440.db2.gz UZOKTDCYTDRKFH-HBNTYKKESA-N 2 1 243.351 -0.363 20 0 BBADMP CC[C@@H]1CN(C(=O)[C@@H](C)[NH3+])CC[N@@H+]1C[C@H](C)O ZINC000246571045 171067438 /nfs/dbraw/zinc/06/74/38/171067438.db2.gz UZOKTDCYTDRKFH-HBNTYKKESA-N 2 1 243.351 -0.363 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NCC[C@H](C)[NH3+])C1 ZINC000246659234 170004901 /nfs/dbraw/zinc/00/49/01/170004901.db2.gz DBYLBHBHPJXBME-UWVGGRQHSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@H](C)[NH3+])C1 ZINC000246659234 170004899 /nfs/dbraw/zinc/00/48/99/170004899.db2.gz DBYLBHBHPJXBME-UWVGGRQHSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@H](C)[NH3+])C1 ZINC000246659242 170002493 /nfs/dbraw/zinc/00/24/93/170002493.db2.gz DBYLBHBHPJXBME-VHSXEESVSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@H](C)[NH3+])C1 ZINC000246659242 170002491 /nfs/dbraw/zinc/00/24/91/170002491.db2.gz DBYLBHBHPJXBME-VHSXEESVSA-N 2 1 229.324 -0.439 20 0 BBADMP C[C@H]([NH3+])C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246706783 385220100 /nfs/dbraw/zinc/22/01/00/385220100.db2.gz WPAWSKXKDLLDRA-GUBZILKMSA-N 2 1 229.324 -0.753 20 0 BBADMP C[C@H]([NH3+])C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246706783 385220097 /nfs/dbraw/zinc/22/00/97/385220097.db2.gz WPAWSKXKDLLDRA-GUBZILKMSA-N 2 1 229.324 -0.753 20 0 BBADMP C[C@H]([NH3+])C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246706823 398340459 /nfs/dbraw/zinc/34/04/59/398340459.db2.gz WPAWSKXKDLLDRA-UTLUCORTSA-N 2 1 229.324 -0.753 20 0 BBADMP C[C@H]([NH3+])C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246706823 398340458 /nfs/dbraw/zinc/34/04/58/398340458.db2.gz WPAWSKXKDLLDRA-UTLUCORTSA-N 2 1 229.324 -0.753 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000246745891 170003454 /nfs/dbraw/zinc/00/34/54/170003454.db2.gz HJEVPXBAMZAOJM-GHMZBOCLSA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000246745891 170003453 /nfs/dbraw/zinc/00/34/53/170003453.db2.gz HJEVPXBAMZAOJM-GHMZBOCLSA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000246745904 170006661 /nfs/dbraw/zinc/00/66/61/170006661.db2.gz HJEVPXBAMZAOJM-MNOVXSKESA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000246745904 170006659 /nfs/dbraw/zinc/00/66/59/170006659.db2.gz HJEVPXBAMZAOJM-MNOVXSKESA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH2+]C2)C1 ZINC000247124654 170004975 /nfs/dbraw/zinc/00/49/75/170004975.db2.gz NBJQVRXKLHTKIQ-QWRGUYRKSA-N 2 1 241.335 -0.473 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH2+]C2)C1 ZINC000247124654 170004973 /nfs/dbraw/zinc/00/49/73/170004973.db2.gz NBJQVRXKLHTKIQ-QWRGUYRKSA-N 2 1 241.335 -0.473 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH2+]C2)C1 ZINC000247124668 170002741 /nfs/dbraw/zinc/00/27/41/170002741.db2.gz NBJQVRXKLHTKIQ-WDEREUQCSA-N 2 1 241.335 -0.473 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH2+]C2)C1 ZINC000247124668 170002740 /nfs/dbraw/zinc/00/27/40/170002740.db2.gz NBJQVRXKLHTKIQ-WDEREUQCSA-N 2 1 241.335 -0.473 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000247301213 170006962 /nfs/dbraw/zinc/00/69/62/170006962.db2.gz PACYLUJJTFAXCO-UWVGGRQHSA-N 2 1 227.308 -0.815 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000247301213 170006961 /nfs/dbraw/zinc/00/69/61/170006961.db2.gz PACYLUJJTFAXCO-UWVGGRQHSA-N 2 1 227.308 -0.815 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000247301229 170003072 /nfs/dbraw/zinc/00/30/72/170003072.db2.gz PACYLUJJTFAXCO-VHSXEESVSA-N 2 1 227.308 -0.815 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000247301229 170003070 /nfs/dbraw/zinc/00/30/70/170003070.db2.gz PACYLUJJTFAXCO-VHSXEESVSA-N 2 1 227.308 -0.815 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000247310979 170005495 /nfs/dbraw/zinc/00/54/95/170005495.db2.gz QXCYMWHUYAHIGC-QWRGUYRKSA-N 2 1 241.335 -0.486 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000247310979 170005494 /nfs/dbraw/zinc/00/54/94/170005494.db2.gz QXCYMWHUYAHIGC-QWRGUYRKSA-N 2 1 241.335 -0.486 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000247310987 170002341 /nfs/dbraw/zinc/00/23/41/170002341.db2.gz QXCYMWHUYAHIGC-WDEREUQCSA-N 2 1 241.335 -0.486 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000247310987 170002339 /nfs/dbraw/zinc/00/23/39/170002339.db2.gz QXCYMWHUYAHIGC-WDEREUQCSA-N 2 1 241.335 -0.486 20 0 BBADMP O[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000248147486 537810332 /nfs/dbraw/zinc/81/03/32/537810332.db2.gz ZXSNJCWDOWUDJX-NUYITTKVSA-N 2 1 226.320 -0.324 20 0 BBADMP OC[C@@H]1C[C@@H](O)C[N@H+]1CCC[NH+]1CCCC1 ZINC000248388204 135001272 /nfs/dbraw/zinc/00/12/72/135001272.db2.gz DELFRKGBAFIROK-NWDGAFQWSA-N 2 1 228.336 -0.100 20 0 BBADMP OC[C@@H]1C[C@@H](O)C[N@@H+]1CCC[NH+]1CCCC1 ZINC000248388204 135001270 /nfs/dbraw/zinc/00/12/70/135001270.db2.gz DELFRKGBAFIROK-NWDGAFQWSA-N 2 1 228.336 -0.100 20 0 BBADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H](O)C[C@H]1CO ZINC000248399914 536371220 /nfs/dbraw/zinc/37/12/20/536371220.db2.gz WPEVFRWODQXXJN-GRYCIOLGSA-N 2 1 228.336 -0.102 20 0 BBADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000248399914 536371218 /nfs/dbraw/zinc/37/12/18/536371218.db2.gz WPEVFRWODQXXJN-GRYCIOLGSA-N 2 1 228.336 -0.102 20 0 BBADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H](O)C[C@H]1CO ZINC000248399914 536371215 /nfs/dbraw/zinc/37/12/15/536371215.db2.gz WPEVFRWODQXXJN-GRYCIOLGSA-N 2 1 228.336 -0.102 20 0 BBADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000248399915 536371064 /nfs/dbraw/zinc/37/10/64/536371064.db2.gz WPEVFRWODQXXJN-UTUOFQBUSA-N 2 1 228.336 -0.102 20 0 BBADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000248399915 536371062 /nfs/dbraw/zinc/37/10/62/536371062.db2.gz WPEVFRWODQXXJN-UTUOFQBUSA-N 2 1 228.336 -0.102 20 0 BBADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](O)C[C@@H]1CO ZINC000248399915 536371061 /nfs/dbraw/zinc/37/10/61/536371061.db2.gz WPEVFRWODQXXJN-UTUOFQBUSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1COCC[NH2+]1 ZINC000248844517 176459590 /nfs/dbraw/zinc/45/95/90/176459590.db2.gz HGMXDSITJNZRSK-IVZWLZJFSA-N 2 1 227.308 -0.769 20 0 BBADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1COCC[NH2+]1 ZINC000248844519 384381543 /nfs/dbraw/zinc/38/15/43/384381543.db2.gz HGMXDSITJNZRSK-LPEHRKFASA-N 2 1 227.308 -0.769 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH3+])C1 ZINC000249154885 487573739 /nfs/dbraw/zinc/57/37/39/487573739.db2.gz WJIHINCVJORGKQ-DTWKUNHWSA-N 2 1 215.297 -0.830 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH3+])C1 ZINC000249154885 487573733 /nfs/dbraw/zinc/57/37/33/487573733.db2.gz WJIHINCVJORGKQ-DTWKUNHWSA-N 2 1 215.297 -0.830 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH3+])C1 ZINC000249154886 487573865 /nfs/dbraw/zinc/57/38/65/487573865.db2.gz WJIHINCVJORGKQ-IUCAKERBSA-N 2 1 215.297 -0.830 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH3+])C1 ZINC000249154886 487573858 /nfs/dbraw/zinc/57/38/58/487573858.db2.gz WJIHINCVJORGKQ-IUCAKERBSA-N 2 1 215.297 -0.830 20 0 BBADMP O=C([C@H]1CSC[NH2+]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000249380118 388104998 /nfs/dbraw/zinc/10/49/98/388104998.db2.gz PMKSUOBZDPXDFK-VHSXEESVSA-N 2 1 241.360 -0.045 20 0 BBADMP O=C([C@H]1CSC[NH2+]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249380118 388104996 /nfs/dbraw/zinc/10/49/96/388104996.db2.gz PMKSUOBZDPXDFK-VHSXEESVSA-N 2 1 241.360 -0.045 20 0 BBADMP C[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C)C2)C1 ZINC000249749158 349173255 /nfs/dbraw/zinc/17/32/55/349173255.db2.gz PSWUIKIPRRAYEI-UWVGGRQHSA-N 2 1 226.324 -0.306 20 0 BBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1COCC[NH2+]1 ZINC000250068792 353267466 /nfs/dbraw/zinc/26/74/66/353267466.db2.gz NSVHVRGYTXEOFB-KXUCPTDWSA-N 2 1 227.308 -0.911 20 0 BBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1COCC[NH2+]1 ZINC000250068796 353267517 /nfs/dbraw/zinc/26/75/17/353267517.db2.gz NSVHVRGYTXEOFB-OPRDCNLKSA-N 2 1 227.308 -0.911 20 0 BBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000250215331 135050292 /nfs/dbraw/zinc/05/02/92/135050292.db2.gz DCGKOWXBXSQRLD-GHMZBOCLSA-N 2 1 241.335 -0.567 20 0 BBADMP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000250215331 135050289 /nfs/dbraw/zinc/05/02/89/135050289.db2.gz DCGKOWXBXSQRLD-GHMZBOCLSA-N 2 1 241.335 -0.567 20 0 BBADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000250215338 135050587 /nfs/dbraw/zinc/05/05/87/135050587.db2.gz DCGKOWXBXSQRLD-WDEREUQCSA-N 2 1 241.335 -0.567 20 0 BBADMP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000250215338 135050585 /nfs/dbraw/zinc/05/05/85/135050585.db2.gz DCGKOWXBXSQRLD-WDEREUQCSA-N 2 1 241.335 -0.567 20 0 BBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000250237425 359287354 /nfs/dbraw/zinc/28/73/54/359287354.db2.gz GXIKQGHXZNNABY-GMTAPVOTSA-N 2 1 241.335 -0.690 20 0 BBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000250237432 359287382 /nfs/dbraw/zinc/28/73/82/359287382.db2.gz GXIKQGHXZNNABY-OUAUKWLOSA-N 2 1 241.335 -0.690 20 0 BBADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@H]1CCCCO1 ZINC000250356346 369511299 /nfs/dbraw/zinc/51/12/99/369511299.db2.gz BWIDRLLHYIVGJH-VHSXEESVSA-N 2 1 202.298 -0.193 20 0 BBADMP C[N@H+](C[C@@H](O)C[NH3+])C[C@H]1CCCCO1 ZINC000250356346 369511296 /nfs/dbraw/zinc/51/12/96/369511296.db2.gz BWIDRLLHYIVGJH-VHSXEESVSA-N 2 1 202.298 -0.193 20 0 BBADMP CNC(=O)[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000250358568 487730129 /nfs/dbraw/zinc/73/01/29/487730129.db2.gz BAZYJZBOGDHKIN-UWVGGRQHSA-N 2 1 211.309 -0.194 20 0 BBADMP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000250358568 487730125 /nfs/dbraw/zinc/73/01/25/487730125.db2.gz BAZYJZBOGDHKIN-UWVGGRQHSA-N 2 1 211.309 -0.194 20 0 BBADMP CNC(=O)[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000250358570 487730643 /nfs/dbraw/zinc/73/06/43/487730643.db2.gz BAZYJZBOGDHKIN-VHSXEESVSA-N 2 1 211.309 -0.194 20 0 BBADMP CNC(=O)[C@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000250358570 487730638 /nfs/dbraw/zinc/73/06/38/487730638.db2.gz BAZYJZBOGDHKIN-VHSXEESVSA-N 2 1 211.309 -0.194 20 0 BBADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@H]1CCCOC1 ZINC000250419908 135055209 /nfs/dbraw/zinc/05/52/09/135055209.db2.gz PCTSCDNDWYPYQD-ZJUUUORDSA-N 2 1 202.298 -0.336 20 0 BBADMP COC[C@H]([NH3+])C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000250455985 387124691 /nfs/dbraw/zinc/12/46/91/387124691.db2.gz IERQCEVDNPXMEP-UWVGGRQHSA-N 2 1 227.308 -0.733 20 0 BBADMP COC[C@@H]([NH3+])C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000250455987 387124051 /nfs/dbraw/zinc/12/40/51/387124051.db2.gz IERQCEVDNPXMEP-VHSXEESVSA-N 2 1 227.308 -0.733 20 0 BBADMP COC[C@H]([NH3+])C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000250469729 135054883 /nfs/dbraw/zinc/05/48/83/135054883.db2.gz PMQJEXUFWSWFCU-QWRGUYRKSA-N 2 1 241.335 -0.343 20 0 BBADMP COC[C@@H]([NH3+])C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000250469731 536655248 /nfs/dbraw/zinc/65/52/48/536655248.db2.gz PMQJEXUFWSWFCU-WDEREUQCSA-N 2 1 241.335 -0.343 20 0 BBADMP C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000250596428 487736462 /nfs/dbraw/zinc/73/64/62/487736462.db2.gz IUWDUMOEZGEQRC-MNOVXSKESA-N 2 1 241.335 -0.425 20 0 BBADMP C[N@H+]1CCC[C@H](NC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000250596430 487736983 /nfs/dbraw/zinc/73/69/83/487736983.db2.gz IUWDUMOEZGEQRC-QWRGUYRKSA-N 2 1 241.335 -0.425 20 0 BBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000250600088 173116430 /nfs/dbraw/zinc/11/64/30/173116430.db2.gz JTRMXBZHIDOGPS-UWVGGRQHSA-N 2 1 211.309 -0.336 20 0 BBADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000250600090 173144951 /nfs/dbraw/zinc/14/49/51/173144951.db2.gz JTRMXBZHIDOGPS-ZJUUUORDSA-N 2 1 211.309 -0.336 20 0 BBADMP C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000250614552 487735552 /nfs/dbraw/zinc/73/55/52/487735552.db2.gz NNVZCIBRBWQRQI-NXEZZACHSA-N 2 1 227.308 -0.815 20 0 BBADMP C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000250614554 487735761 /nfs/dbraw/zinc/73/57/61/487735761.db2.gz NNVZCIBRBWQRQI-VHSXEESVSA-N 2 1 227.308 -0.815 20 0 BBADMP C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000250642545 487737493 /nfs/dbraw/zinc/73/74/93/487737493.db2.gz UFZUQAGUJVCUIB-MNOVXSKESA-N 2 1 241.335 -0.425 20 0 BBADMP C[N@H+]1CCC[C@H](NC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000250642547 487737404 /nfs/dbraw/zinc/73/74/04/487737404.db2.gz UFZUQAGUJVCUIB-QWRGUYRKSA-N 2 1 241.335 -0.425 20 0 BBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000250654863 173116034 /nfs/dbraw/zinc/11/60/34/173116034.db2.gz XPAMOADRKUVGPW-DTWKUNHWSA-N 2 1 229.349 -0.283 20 0 BBADMP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000250654863 173116031 /nfs/dbraw/zinc/11/60/31/173116031.db2.gz XPAMOADRKUVGPW-DTWKUNHWSA-N 2 1 229.349 -0.283 20 0 BBADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000250654866 173145473 /nfs/dbraw/zinc/14/54/73/173145473.db2.gz XPAMOADRKUVGPW-RKDXNWHRSA-N 2 1 229.349 -0.283 20 0 BBADMP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000250654866 173145472 /nfs/dbraw/zinc/14/54/72/173145472.db2.gz XPAMOADRKUVGPW-RKDXNWHRSA-N 2 1 229.349 -0.283 20 0 BBADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC000250704405 364658764 /nfs/dbraw/zinc/65/87/64/364658764.db2.gz DNZZAUZUJOHCRI-UWVGGRQHSA-N 2 1 211.309 -0.242 20 0 BBADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC000250704405 364658761 /nfs/dbraw/zinc/65/87/61/364658761.db2.gz DNZZAUZUJOHCRI-UWVGGRQHSA-N 2 1 211.309 -0.242 20 0 BBADMP C[NH2+]C[C@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC000250704408 349178528 /nfs/dbraw/zinc/17/85/28/349178528.db2.gz DNZZAUZUJOHCRI-ZJUUUORDSA-N 2 1 211.309 -0.242 20 0 BBADMP C[NH2+]C[C@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC000250704408 349178526 /nfs/dbraw/zinc/17/85/26/349178526.db2.gz DNZZAUZUJOHCRI-ZJUUUORDSA-N 2 1 211.309 -0.242 20 0 BBADMP [NH3+]CCOCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000250797984 487740812 /nfs/dbraw/zinc/74/08/12/487740812.db2.gz AXBYICREJBXZBU-GHMZBOCLSA-N 2 1 241.335 -0.295 20 0 BBADMP [NH3+]CCOCC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000250797988 487741469 /nfs/dbraw/zinc/74/14/69/487741469.db2.gz AXBYICREJBXZBU-WDEREUQCSA-N 2 1 241.335 -0.295 20 0 BBADMP NC(=O)[C@@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000250813711 487741562 /nfs/dbraw/zinc/74/15/62/487741562.db2.gz DVOTYZSTHLZQHQ-UWVGGRQHSA-N 2 1 211.309 -0.064 20 0 BBADMP NC(=O)[C@@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000250813711 487741556 /nfs/dbraw/zinc/74/15/56/487741556.db2.gz DVOTYZSTHLZQHQ-UWVGGRQHSA-N 2 1 211.309 -0.064 20 0 BBADMP NC(=O)[C@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000250813714 487741421 /nfs/dbraw/zinc/74/14/21/487741421.db2.gz DVOTYZSTHLZQHQ-VHSXEESVSA-N 2 1 211.309 -0.064 20 0 BBADMP NC(=O)[C@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000250813714 487741416 /nfs/dbraw/zinc/74/14/16/487741416.db2.gz DVOTYZSTHLZQHQ-VHSXEESVSA-N 2 1 211.309 -0.064 20 0 BBADMP [NH3+]C[C@H]1C[N@@H+](C[C@H]2CCOC2)CCO1 ZINC000250838250 388191923 /nfs/dbraw/zinc/19/19/23/388191923.db2.gz LGMDLAXZXJXKPL-ZJUUUORDSA-N 2 1 200.282 -0.318 20 0 BBADMP [NH3+]C[C@H]1C[N@H+](C[C@H]2CCOC2)CCO1 ZINC000250838250 388191921 /nfs/dbraw/zinc/19/19/21/388191921.db2.gz LGMDLAXZXJXKPL-ZJUUUORDSA-N 2 1 200.282 -0.318 20 0 BBADMP C[C@@H](C[NH3+])C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000251068191 384912333 /nfs/dbraw/zinc/91/23/33/384912333.db2.gz DWIOXRBYDCNLBK-UWVGGRQHSA-N 2 1 211.309 -0.112 20 0 BBADMP C[C@H](C[NH3+])C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000251068194 384912536 /nfs/dbraw/zinc/91/25/36/384912536.db2.gz DWIOXRBYDCNLBK-ZJUUUORDSA-N 2 1 211.309 -0.112 20 0 BBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@H]1C[NH2+]CCO1 ZINC000251082369 182334518 /nfs/dbraw/zinc/33/45/18/182334518.db2.gz HEUAHGLLRXVARH-GXSJLCMTSA-N 2 1 239.319 -0.672 20 0 BBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1C[NH2+]CCO1 ZINC000251082371 182301284 /nfs/dbraw/zinc/30/12/84/182301284.db2.gz HEUAHGLLRXVARH-MWLCHTKSSA-N 2 1 239.319 -0.672 20 0 BBADMP COC(=O)[C@H](C)CN(C)C[C@H]1C[NH2+]CCO1 ZINC000251099614 369666601 /nfs/dbraw/zinc/66/66/01/369666601.db2.gz MMPDDQXISHGQFV-NXEZZACHSA-N 2 1 230.308 -0.284 20 0 BBADMP COC(=O)[C@@H](C)CN(C)C[C@H]1C[NH2+]CCO1 ZINC000251099617 369666755 /nfs/dbraw/zinc/66/67/55/369666755.db2.gz MMPDDQXISHGQFV-VHSXEESVSA-N 2 1 230.308 -0.284 20 0 BBADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC000251371003 135093645 /nfs/dbraw/zinc/09/36/45/135093645.db2.gz XHERSGNLVGLFJL-BDAKNGLRSA-N 2 1 244.339 -0.125 20 0 BBADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC000251371003 135093644 /nfs/dbraw/zinc/09/36/44/135093644.db2.gz XHERSGNLVGLFJL-BDAKNGLRSA-N 2 1 244.339 -0.125 20 0 BBADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC000251371005 535065032 /nfs/dbraw/zinc/06/50/32/535065032.db2.gz XHERSGNLVGLFJL-RKDXNWHRSA-N 2 1 244.339 -0.125 20 0 BBADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC000251371005 535065030 /nfs/dbraw/zinc/06/50/30/535065030.db2.gz XHERSGNLVGLFJL-RKDXNWHRSA-N 2 1 244.339 -0.125 20 0 BBADMP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000251411777 385954055 /nfs/dbraw/zinc/95/40/55/385954055.db2.gz RCZFMOCBPZKDKE-AXFHLTTASA-N 2 1 239.319 -0.984 20 0 BBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251436585 385954672 /nfs/dbraw/zinc/95/46/72/385954672.db2.gz AEVAMJNPKPFEMZ-DJLDLDEBSA-N 2 1 242.323 -0.371 20 0 BBADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251436585 385954668 /nfs/dbraw/zinc/95/46/68/385954668.db2.gz AEVAMJNPKPFEMZ-DJLDLDEBSA-N 2 1 242.323 -0.371 20 0 BBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251436588 385954741 /nfs/dbraw/zinc/95/47/41/385954741.db2.gz AEVAMJNPKPFEMZ-YIZRAAEISA-N 2 1 242.323 -0.371 20 0 BBADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251436588 385954735 /nfs/dbraw/zinc/95/47/35/385954735.db2.gz AEVAMJNPKPFEMZ-YIZRAAEISA-N 2 1 242.323 -0.371 20 0 BBADMP O[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251587703 362888145 /nfs/dbraw/zinc/88/81/45/362888145.db2.gz ZCJNGIKHIPGLPU-FIQHERPVSA-N 2 1 226.320 -0.038 20 0 BBADMP O[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251587703 362888140 /nfs/dbraw/zinc/88/81/40/362888140.db2.gz ZCJNGIKHIPGLPU-FIQHERPVSA-N 2 1 226.320 -0.038 20 0 BBADMP O[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251587708 362888276 /nfs/dbraw/zinc/88/82/76/362888276.db2.gz ZCJNGIKHIPGLPU-NOOOWODRSA-N 2 1 226.320 -0.038 20 0 BBADMP O[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251587708 362888275 /nfs/dbraw/zinc/88/82/75/362888275.db2.gz ZCJNGIKHIPGLPU-NOOOWODRSA-N 2 1 226.320 -0.038 20 0 BBADMP O[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000251587715 362888329 /nfs/dbraw/zinc/88/83/29/362888329.db2.gz ZCJNGIKHIPGLPU-WHOHXGKFSA-N 2 1 226.320 -0.038 20 0 BBADMP O[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000251587715 362888327 /nfs/dbraw/zinc/88/83/27/362888327.db2.gz ZCJNGIKHIPGLPU-WHOHXGKFSA-N 2 1 226.320 -0.038 20 0 BBADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)CC[C@H]1[NH3+] ZINC000251589573 487772631 /nfs/dbraw/zinc/77/26/31/487772631.db2.gz CSDRIASQZKBNFN-BBBLOLIVSA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)CC[C@H]1[NH3+] ZINC000251589573 487772624 /nfs/dbraw/zinc/77/26/24/487772624.db2.gz CSDRIASQZKBNFN-BBBLOLIVSA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)CC[C@H]1[NH3+] ZINC000251589578 487772657 /nfs/dbraw/zinc/77/26/57/487772657.db2.gz CSDRIASQZKBNFN-OPRDCNLKSA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)CC[C@H]1[NH3+] ZINC000251589578 487772649 /nfs/dbraw/zinc/77/26/49/487772649.db2.gz CSDRIASQZKBNFN-OPRDCNLKSA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)CC[C@@H]1[NH3+] ZINC000251589583 487772724 /nfs/dbraw/zinc/77/27/24/487772724.db2.gz CSDRIASQZKBNFN-UTLUCORTSA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)CC[C@@H]1[NH3+] ZINC000251589583 487772721 /nfs/dbraw/zinc/77/27/21/487772721.db2.gz CSDRIASQZKBNFN-UTLUCORTSA-N 2 1 211.309 -0.114 20 0 BBADMP CC[C@H]1C[N@@H+](CCC(=O)NC(N)=O)CC[C@H]1[NH3+] ZINC000251619861 369870852 /nfs/dbraw/zinc/87/08/52/369870852.db2.gz DYYDBJXNTOVFCG-DTWKUNHWSA-N 2 1 242.323 -0.369 20 0 BBADMP CC[C@@H]1C[N@@H+](CCC(=O)NC(N)=O)CC[C@H]1[NH3+] ZINC000251619868 369871158 /nfs/dbraw/zinc/87/11/58/369871158.db2.gz DYYDBJXNTOVFCG-RKDXNWHRSA-N 2 1 242.323 -0.369 20 0 BBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1C[NH2+]C1 ZINC000251639662 176322429 /nfs/dbraw/zinc/32/24/29/176322429.db2.gz FWEYOSFZUQQKQR-KOLCDFICSA-N 2 1 223.320 -0.099 20 0 BBADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1C[NH2+]C1 ZINC000251639666 177280741 /nfs/dbraw/zinc/28/07/41/177280741.db2.gz FWEYOSFZUQQKQR-ONGXEEELSA-N 2 1 223.320 -0.099 20 0 BBADMP C[C@@H]1C[C@H](NC(=O)[C@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000251703496 387210640 /nfs/dbraw/zinc/21/06/40/387210640.db2.gz BILWTFGCHWHIPQ-GMTAPVOTSA-N 2 1 241.335 -0.426 20 0 BBADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000251703498 176373383 /nfs/dbraw/zinc/37/33/83/176373383.db2.gz BILWTFGCHWHIPQ-OUAUKWLOSA-N 2 1 241.335 -0.426 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000251746669 644820350 /nfs/dbraw/zinc/82/03/50/644820350.db2.gz LDEFETMCSSSGRL-AEJSXWLSSA-N 2 1 202.298 -0.337 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251746674 644820841 /nfs/dbraw/zinc/82/08/41/644820841.db2.gz LDEFETMCSSSGRL-BBBLOLIVSA-N 2 1 202.298 -0.337 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251746680 644820639 /nfs/dbraw/zinc/82/06/39/644820639.db2.gz LDEFETMCSSSGRL-OPRDCNLKSA-N 2 1 202.298 -0.337 20 0 BBADMP C[C@H]1C[N@@H+](CCN2CCOCC2)CC[C@H]1[NH3+] ZINC000251765679 632552004 /nfs/dbraw/zinc/55/20/04/632552004.db2.gz MBQCRUNIRZTDHY-NWDGAFQWSA-N 2 1 227.352 -0.012 20 0 BBADMP C[C@@H]1C[N@@H+](CCN2CCOCC2)CC[C@H]1[NH3+] ZINC000251765682 632552213 /nfs/dbraw/zinc/55/22/13/632552213.db2.gz MBQCRUNIRZTDHY-VXGBXAGGSA-N 2 1 227.352 -0.012 20 0 BBADMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CC(=O)N1 ZINC000251777092 349191265 /nfs/dbraw/zinc/19/12/65/349191265.db2.gz VVBHPHREDAHBSX-NXEZZACHSA-N 2 1 211.309 -0.194 20 0 BBADMP C[C@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CC(=O)N1 ZINC000251777093 349191052 /nfs/dbraw/zinc/19/10/52/349191052.db2.gz VVBHPHREDAHBSX-VHSXEESVSA-N 2 1 211.309 -0.194 20 0 BBADMP C[C@H]1C[N@@H+](CC(=O)N(C)C)CC[C@H]1C[NH3+] ZINC000251836157 644825734 /nfs/dbraw/zinc/82/57/34/644825734.db2.gz PZOWRMYNJTUQMC-UWVGGRQHSA-N 2 1 213.325 -0.009 20 0 BBADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)CC[C@H]1C[NH3+] ZINC000251836159 644825452 /nfs/dbraw/zinc/82/54/52/644825452.db2.gz PZOWRMYNJTUQMC-ZJUUUORDSA-N 2 1 213.325 -0.009 20 0 BBADMP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)CC[C@H]1[NH3+] ZINC000251848277 369976996 /nfs/dbraw/zinc/97/69/96/369976996.db2.gz RMQCVARMYJDCRJ-DJLDLDEBSA-N 2 1 242.323 -0.371 20 0 BBADMP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)CC[C@H]1[NH3+] ZINC000251848277 369976993 /nfs/dbraw/zinc/97/69/93/369976993.db2.gz RMQCVARMYJDCRJ-DJLDLDEBSA-N 2 1 242.323 -0.371 20 0 BBADMP CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)CC[C@@H]1[NH3+] ZINC000251848280 369976971 /nfs/dbraw/zinc/97/69/71/369976971.db2.gz RMQCVARMYJDCRJ-HLTSFMKQSA-N 2 1 242.323 -0.371 20 0 BBADMP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)CC[C@@H]1[NH3+] ZINC000251848280 369976967 /nfs/dbraw/zinc/97/69/67/369976967.db2.gz RMQCVARMYJDCRJ-HLTSFMKQSA-N 2 1 242.323 -0.371 20 0 BBADMP CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)CC[C@H]1[NH3+] ZINC000251848282 369977212 /nfs/dbraw/zinc/97/72/12/369977212.db2.gz RMQCVARMYJDCRJ-IWSPIJDZSA-N 2 1 242.323 -0.371 20 0 BBADMP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)CC[C@H]1[NH3+] ZINC000251848282 369977210 /nfs/dbraw/zinc/97/72/10/369977210.db2.gz RMQCVARMYJDCRJ-IWSPIJDZSA-N 2 1 242.323 -0.371 20 0 BBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251880571 353294037 /nfs/dbraw/zinc/29/40/37/353294037.db2.gz UTMQASPZYNTVBK-RKDXNWHRSA-N 2 1 242.323 -0.499 20 0 BBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)CC[C@H]1[NH3+] ZINC000251888828 353293517 /nfs/dbraw/zinc/29/35/17/353293517.db2.gz VJNPZKVIISSYSI-NXEZZACHSA-N 2 1 239.319 -0.196 20 0 BBADMP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)CC[C@H]1[NH3+] ZINC000251888828 353293514 /nfs/dbraw/zinc/29/35/14/353293514.db2.gz VJNPZKVIISSYSI-NXEZZACHSA-N 2 1 239.319 -0.196 20 0 BBADMP C[C@H]1C[N@@H+](CCN2C(=O)CCC2=O)CC[C@H]1[NH3+] ZINC000251888830 353293621 /nfs/dbraw/zinc/29/36/21/353293621.db2.gz VJNPZKVIISSYSI-VHSXEESVSA-N 2 1 239.319 -0.196 20 0 BBADMP C[C@H]1C[N@H+](CCN2C(=O)CCC2=O)CC[C@H]1[NH3+] ZINC000251888830 353293617 /nfs/dbraw/zinc/29/36/17/353293617.db2.gz VJNPZKVIISSYSI-VHSXEESVSA-N 2 1 239.319 -0.196 20 0 BBADMP COC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000251933264 353293685 /nfs/dbraw/zinc/29/36/85/353293685.db2.gz YXWLPHJLTADYSZ-MXWKQRLJSA-N 2 1 241.335 -0.345 20 0 BBADMP COC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000251933268 353293348 /nfs/dbraw/zinc/29/33/48/353293348.db2.gz YXWLPHJLTADYSZ-VWYCJHECSA-N 2 1 241.335 -0.345 20 0 BBADMP C[C@@H]1CCC[N@@H+](CCC(=O)NC(N)=O)[C@H]1C[NH3+] ZINC000252123368 369998923 /nfs/dbraw/zinc/99/89/23/369998923.db2.gz JSANIZKXGOYKHH-BDAKNGLRSA-N 2 1 242.323 -0.369 20 0 BBADMP C[C@@H]1CCC[N@H+](CCC(=O)NC(N)=O)[C@H]1C[NH3+] ZINC000252123368 369998920 /nfs/dbraw/zinc/99/89/20/369998920.db2.gz JSANIZKXGOYKHH-BDAKNGLRSA-N 2 1 242.323 -0.369 20 0 BBADMP C[C@H]1CCC[N@@H+](CCC(=O)NC(N)=O)[C@H]1C[NH3+] ZINC000252123370 369998939 /nfs/dbraw/zinc/99/89/39/369998939.db2.gz JSANIZKXGOYKHH-IUCAKERBSA-N 2 1 242.323 -0.369 20 0 BBADMP C[C@H]1CCC[N@H+](CCC(=O)NC(N)=O)[C@H]1C[NH3+] ZINC000252123370 369998937 /nfs/dbraw/zinc/99/89/37/369998937.db2.gz JSANIZKXGOYKHH-IUCAKERBSA-N 2 1 242.323 -0.369 20 0 BBADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1[C@H]1CCN(C)C1=O ZINC000252195549 349197957 /nfs/dbraw/zinc/19/79/57/349197957.db2.gz VMCWDWICCAIUSY-BBBLOLIVSA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1[C@H]1CCN(C)C1=O ZINC000252195551 349197647 /nfs/dbraw/zinc/19/76/47/349197647.db2.gz VMCWDWICCAIUSY-UTLUCORTSA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@H](C(=O)N(C)C)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453835 370045564 /nfs/dbraw/zinc/04/55/64/370045564.db2.gz WPOGIWBRBIQPKM-UTLUCORTSA-N 2 1 211.309 -0.386 20 0 BBADMP OC[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252514895 135092092 /nfs/dbraw/zinc/09/20/92/135092092.db2.gz YOOIRNKENXRBQY-GARJFASQSA-N 2 1 214.309 -0.444 20 0 BBADMP OC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252514896 135092719 /nfs/dbraw/zinc/09/27/19/135092719.db2.gz YOOIRNKENXRBQY-OUAUKWLOSA-N 2 1 214.309 -0.444 20 0 BBADMP CC[NH2+]CC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252537825 635708613 /nfs/dbraw/zinc/70/86/13/635708613.db2.gz ABAQWSAOAJUMFU-QWRGUYRKSA-N 2 1 241.335 -0.425 20 0 BBADMP CC[NH2+]CC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252537826 644865217 /nfs/dbraw/zinc/86/52/17/644865217.db2.gz ABAQWSAOAJUMFU-WDEREUQCSA-N 2 1 241.335 -0.425 20 0 BBADMP C[C@H](O)C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252539086 644865343 /nfs/dbraw/zinc/86/53/43/644865343.db2.gz BEDARNKDPNEIDI-DCAQKATOSA-N 2 1 214.309 -0.180 20 0 BBADMP C[C@H](O)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252539086 644865338 /nfs/dbraw/zinc/86/53/38/644865338.db2.gz BEDARNKDPNEIDI-DCAQKATOSA-N 2 1 214.309 -0.180 20 0 BBADMP C[C@H](O)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252539087 644864937 /nfs/dbraw/zinc/86/49/37/644864937.db2.gz BEDARNKDPNEIDI-GARJFASQSA-N 2 1 214.309 -0.180 20 0 BBADMP C[C@H](O)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252539087 644864932 /nfs/dbraw/zinc/86/49/32/644864932.db2.gz BEDARNKDPNEIDI-GARJFASQSA-N 2 1 214.309 -0.180 20 0 BBADMP CC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252539337 135092557 /nfs/dbraw/zinc/09/25/57/135092557.db2.gz BKHVPKCSERCAJV-AXFHLTTASA-N 2 1 241.335 -0.297 20 0 BBADMP CC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252539338 135092648 /nfs/dbraw/zinc/09/26/48/135092648.db2.gz BKHVPKCSERCAJV-DCAQKATOSA-N 2 1 241.335 -0.297 20 0 BBADMP CC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252539339 644865117 /nfs/dbraw/zinc/86/51/17/644865117.db2.gz BKHVPKCSERCAJV-GARJFASQSA-N 2 1 241.335 -0.297 20 0 BBADMP CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252539340 644865500 /nfs/dbraw/zinc/86/55/00/644865500.db2.gz BKHVPKCSERCAJV-HBNTYKKESA-N 2 1 241.335 -0.297 20 0 BBADMP COC[C@H](O)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252540255 635709178 /nfs/dbraw/zinc/70/91/78/635709178.db2.gz CJMSCVMITVUSMG-QJPTWQEYSA-N 2 1 244.335 -0.554 20 0 BBADMP COC[C@H](O)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252540255 635709175 /nfs/dbraw/zinc/70/91/75/635709175.db2.gz CJMSCVMITVUSMG-QJPTWQEYSA-N 2 1 244.335 -0.554 20 0 BBADMP COC[C@H](O)C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252540256 644865408 /nfs/dbraw/zinc/86/54/08/644865408.db2.gz CJMSCVMITVUSMG-TUAOUCFPSA-N 2 1 244.335 -0.554 20 0 BBADMP COC[C@H](O)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252540256 644865405 /nfs/dbraw/zinc/86/54/05/644865405.db2.gz CJMSCVMITVUSMG-TUAOUCFPSA-N 2 1 244.335 -0.554 20 0 BBADMP C[C@H](C[NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252542632 135092229 /nfs/dbraw/zinc/09/22/29/135092229.db2.gz GDCNJAHXMCRHCZ-OUAUKWLOSA-N 2 1 241.335 -0.439 20 0 BBADMP C[C@H](C[NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252542633 135092329 /nfs/dbraw/zinc/09/23/29/135092329.db2.gz GDCNJAHXMCRHCZ-VWYCJHECSA-N 2 1 241.335 -0.439 20 0 BBADMP C[C@H]([NH3+])CC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252544109 644865130 /nfs/dbraw/zinc/86/51/30/644865130.db2.gz HVLHFQPAGFFKLX-DCAQKATOSA-N 2 1 241.335 -0.297 20 0 BBADMP C[C@H]([NH3+])CC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252544110 644865199 /nfs/dbraw/zinc/86/51/99/644865199.db2.gz HVLHFQPAGFFKLX-GARJFASQSA-N 2 1 241.335 -0.297 20 0 BBADMP C[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252546360 644865431 /nfs/dbraw/zinc/86/54/31/644865431.db2.gz KLRFKRLZMAQFSW-GUBZILKMSA-N 2 1 227.308 -0.687 20 0 BBADMP C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252546361 644864965 /nfs/dbraw/zinc/86/49/65/644864965.db2.gz KLRFKRLZMAQFSW-KXUCPTDWSA-N 2 1 227.308 -0.687 20 0 BBADMP C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252546362 644864681 /nfs/dbraw/zinc/86/46/81/644864681.db2.gz KLRFKRLZMAQFSW-LPEHRKFASA-N 2 1 227.308 -0.687 20 0 BBADMP C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252546363 644865005 /nfs/dbraw/zinc/86/50/05/644865005.db2.gz KLRFKRLZMAQFSW-UTLUCORTSA-N 2 1 227.308 -0.687 20 0 BBADMP C[NH2+]CCC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252554609 135092278 /nfs/dbraw/zinc/09/22/78/135092278.db2.gz RSKIWVPRURBOBG-QWRGUYRKSA-N 2 1 241.335 -0.425 20 0 BBADMP C[NH2+]CCC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252554610 135091950 /nfs/dbraw/zinc/09/19/50/135091950.db2.gz RSKIWVPRURBOBG-WDEREUQCSA-N 2 1 241.335 -0.425 20 0 BBADMP CC(C)([NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252557332 135092264 /nfs/dbraw/zinc/09/22/64/135092264.db2.gz UBOBYWOSPLUXCW-UWVGGRQHSA-N 2 1 241.335 -0.297 20 0 BBADMP CC(C)([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252557334 135092307 /nfs/dbraw/zinc/09/23/07/135092307.db2.gz UBOBYWOSPLUXCW-VHSXEESVSA-N 2 1 241.335 -0.297 20 0 BBADMP C[NH2+]CC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252562734 644864487 /nfs/dbraw/zinc/86/44/87/644864487.db2.gz WYAGOKWPXYUHRU-UWVGGRQHSA-N 2 1 227.308 -0.815 20 0 BBADMP C[NH2+]CC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252562735 644865155 /nfs/dbraw/zinc/86/51/55/644865155.db2.gz WYAGOKWPXYUHRU-VHSXEESVSA-N 2 1 227.308 -0.815 20 0 BBADMP CCNC(=[NH2+])NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252666977 635711820 /nfs/dbraw/zinc/71/18/20/635711820.db2.gz DRMLCNNUIAQYMZ-UWVGGRQHSA-N 2 1 226.324 -0.017 20 0 BBADMP CCNC(=[NH2+])NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252666978 644874026 /nfs/dbraw/zinc/87/40/26/644874026.db2.gz DRMLCNNUIAQYMZ-VHSXEESVSA-N 2 1 226.324 -0.017 20 0 BBADMP CNC(=[NH2+])NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252667646 135095899 /nfs/dbraw/zinc/09/58/99/135095899.db2.gz NDULMFGQAYCHDX-DTWKUNHWSA-N 2 1 212.297 -0.407 20 0 BBADMP CNC(=[NH2+])NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252667647 135095999 /nfs/dbraw/zinc/09/59/99/135095999.db2.gz NDULMFGQAYCHDX-IUCAKERBSA-N 2 1 212.297 -0.407 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000252688589 644880985 /nfs/dbraw/zinc/88/09/85/644880985.db2.gz OTNZXJZQLCYFCB-KXUCPTDWSA-N 2 1 202.298 -0.195 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000252688590 644880870 /nfs/dbraw/zinc/88/08/70/644880870.db2.gz OTNZXJZQLCYFCB-LPEHRKFASA-N 2 1 202.298 -0.195 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000252688591 644880400 /nfs/dbraw/zinc/88/04/00/644880400.db2.gz OTNZXJZQLCYFCB-OPRDCNLKSA-N 2 1 202.298 -0.195 20 0 BBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252698542 346779701 /nfs/dbraw/zinc/77/97/01/346779701.db2.gz NPIUCJKFVDHQGC-BWZBUEFSSA-N 2 1 228.296 -0.761 20 0 BBADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252698542 346779697 /nfs/dbraw/zinc/77/96/97/346779697.db2.gz NPIUCJKFVDHQGC-BWZBUEFSSA-N 2 1 228.296 -0.761 20 0 BBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252698543 346779495 /nfs/dbraw/zinc/77/94/95/346779495.db2.gz NPIUCJKFVDHQGC-PRJMDXOYSA-N 2 1 228.296 -0.761 20 0 BBADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252698543 346779493 /nfs/dbraw/zinc/77/94/93/346779493.db2.gz NPIUCJKFVDHQGC-PRJMDXOYSA-N 2 1 228.296 -0.761 20 0 BBADMP CCNC(=O)NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252700242 370116982 /nfs/dbraw/zinc/11/69/82/370116982.db2.gz YSWWPPOXYBTZOG-BDAKNGLRSA-N 2 1 242.323 -0.499 20 0 BBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252700242 370116980 /nfs/dbraw/zinc/11/69/80/370116980.db2.gz YSWWPPOXYBTZOG-BDAKNGLRSA-N 2 1 242.323 -0.499 20 0 BBADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252700243 370117635 /nfs/dbraw/zinc/11/76/35/370117635.db2.gz YSWWPPOXYBTZOG-RKDXNWHRSA-N 2 1 242.323 -0.499 20 0 BBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252700243 370117630 /nfs/dbraw/zinc/11/76/30/370117630.db2.gz YSWWPPOXYBTZOG-RKDXNWHRSA-N 2 1 242.323 -0.499 20 0 BBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOCCO ZINC000252709784 135099098 /nfs/dbraw/zinc/09/90/98/135099098.db2.gz DVFTXDHZVJROEY-GHMZBOCLSA-N 2 1 216.325 -0.075 20 0 BBADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOCCO ZINC000252709785 135099188 /nfs/dbraw/zinc/09/91/88/135099188.db2.gz DVFTXDHZVJROEY-WDEREUQCSA-N 2 1 216.325 -0.075 20 0 BBADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@H]1CCOC1 ZINC000252710955 135094329 /nfs/dbraw/zinc/09/43/29/135094329.db2.gz ICUUSDASINBOLX-GARJFASQSA-N 2 1 216.325 -0.077 20 0 BBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H](O)C[NH+](C)C ZINC000252712586 385211994 /nfs/dbraw/zinc/21/19/94/385211994.db2.gz MUKMVTBIJDXHGF-GRYCIOLGSA-N 3 1 229.368 -0.161 20 0 BBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H](O)C[NH+](C)C ZINC000252712587 385211689 /nfs/dbraw/zinc/21/16/89/385211689.db2.gz MUKMVTBIJDXHGF-IJLUTSLNSA-N 3 1 229.368 -0.161 20 0 BBADMP COC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252712898 135100393 /nfs/dbraw/zinc/10/03/93/135100393.db2.gz NRPFFVMDFYLCFP-GMTAPVOTSA-N 2 1 216.325 -0.077 20 0 BBADMP COC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252712899 135100821 /nfs/dbraw/zinc/10/08/21/135100821.db2.gz NRPFFVMDFYLCFP-MXWKQRLJSA-N 2 1 216.325 -0.077 20 0 BBADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)CO)CC[C@H]21 ZINC000252726258 643103707 /nfs/dbraw/zinc/10/37/07/643103707.db2.gz RQLYIAKMLJHCRT-GRYCIOLGSA-N 2 1 228.336 -0.244 20 0 BBADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)CO)CC[C@H]21 ZINC000252726258 643103702 /nfs/dbraw/zinc/10/37/02/643103702.db2.gz RQLYIAKMLJHCRT-GRYCIOLGSA-N 2 1 228.336 -0.244 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252769074 644903527 /nfs/dbraw/zinc/90/35/27/644903527.db2.gz HHSQDACWPIXKIZ-IVZWLZJFSA-N 2 1 202.298 -0.337 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252769077 644903823 /nfs/dbraw/zinc/90/38/23/644903823.db2.gz HHSQDACWPIXKIZ-LPEHRKFASA-N 2 1 202.298 -0.337 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC000252773812 349213489 /nfs/dbraw/zinc/21/34/89/349213489.db2.gz JMESBQCHNRXUFO-AEJSXWLSSA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC000252773813 349213807 /nfs/dbraw/zinc/21/38/07/349213807.db2.gz JMESBQCHNRXUFO-GUBZILKMSA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252784990 136227134 /nfs/dbraw/zinc/22/71/34/136227134.db2.gz ULJIVUJAUSOSNR-RNJXMRFFSA-N 2 1 228.296 -0.761 20 0 BBADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252784990 136227133 /nfs/dbraw/zinc/22/71/33/136227133.db2.gz ULJIVUJAUSOSNR-RNJXMRFFSA-N 2 1 228.296 -0.761 20 0 BBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252784991 136226993 /nfs/dbraw/zinc/22/69/93/136226993.db2.gz ULJIVUJAUSOSNR-XLPZGREQSA-N 2 1 228.296 -0.761 20 0 BBADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252784991 136226992 /nfs/dbraw/zinc/22/69/92/136226992.db2.gz ULJIVUJAUSOSNR-XLPZGREQSA-N 2 1 228.296 -0.761 20 0 BBADMP CC(=O)N[C@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000252797216 487834434 /nfs/dbraw/zinc/83/44/34/487834434.db2.gz JCZWFOODVOQJQL-QWRGUYRKSA-N 2 1 211.309 -0.194 20 0 BBADMP CC(=O)N[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000252797217 487834579 /nfs/dbraw/zinc/83/45/79/487834579.db2.gz JCZWFOODVOQJQL-WDEREUQCSA-N 2 1 211.309 -0.194 20 0 BBADMP NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252845826 349219220 /nfs/dbraw/zinc/21/92/20/349219220.db2.gz FHOKCSCSNPLKDF-CIUDSAMLSA-N 2 1 240.307 -0.760 20 0 BBADMP NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252845826 349219216 /nfs/dbraw/zinc/21/92/16/349219216.db2.gz FHOKCSCSNPLKDF-CIUDSAMLSA-N 2 1 240.307 -0.760 20 0 BBADMP COC(=O)[C@](C)(O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252869833 370138596 /nfs/dbraw/zinc/13/85/96/370138596.db2.gz SXBXJPQKCDKRKD-ATZCPNFKSA-N 2 1 228.292 -0.938 20 0 BBADMP C[C@@H](O)CCN(C)C[C@H]1C[NH2+]CCO1 ZINC000252869918 487836947 /nfs/dbraw/zinc/83/69/47/487836947.db2.gz NYWYMAVAJDGPQY-NXEZZACHSA-N 2 1 202.298 -0.323 20 0 BBADMP C[C@@H](O)CC[N@@H+](C)C[C@H]1CNCCO1 ZINC000252869918 487836944 /nfs/dbraw/zinc/83/69/44/487836944.db2.gz NYWYMAVAJDGPQY-NXEZZACHSA-N 2 1 202.298 -0.323 20 0 BBADMP C[C@H](O)CCN(C)C[C@H]1C[NH2+]CCO1 ZINC000252869919 487836601 /nfs/dbraw/zinc/83/66/01/487836601.db2.gz NYWYMAVAJDGPQY-VHSXEESVSA-N 2 1 202.298 -0.323 20 0 BBADMP C[C@H](O)CC[N@@H+](C)C[C@H]1CNCCO1 ZINC000252869919 487836596 /nfs/dbraw/zinc/83/65/96/487836596.db2.gz NYWYMAVAJDGPQY-VHSXEESVSA-N 2 1 202.298 -0.323 20 0 BBADMP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252878378 349220834 /nfs/dbraw/zinc/22/08/34/349220834.db2.gz XDCDLURVSQBQFA-KATARQTJSA-N 2 1 211.309 -0.081 20 0 BBADMP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252878379 349220783 /nfs/dbraw/zinc/22/07/83/349220783.db2.gz XDCDLURVSQBQFA-XFWSIPNHSA-N 2 1 211.309 -0.081 20 0 BBADMP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252880593 388789264 /nfs/dbraw/zinc/78/92/64/388789264.db2.gz YKLJCGUFSBHRLY-GUBZILKMSA-N 2 1 211.309 -0.208 20 0 BBADMP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252880594 388789972 /nfs/dbraw/zinc/78/99/72/388789972.db2.gz YKLJCGUFSBHRLY-LPEHRKFASA-N 2 1 211.309 -0.208 20 0 BBADMP COC[C@H](O)C[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000253176406 644941003 /nfs/dbraw/zinc/94/10/03/644941003.db2.gz PPNFAPPABSRTFF-NXEZZACHSA-N 2 1 202.298 -0.337 20 0 BBADMP COC[C@H](O)C[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000253176406 644940996 /nfs/dbraw/zinc/94/09/96/644940996.db2.gz PPNFAPPABSRTFF-NXEZZACHSA-N 2 1 202.298 -0.337 20 0 BBADMP COC[C@@H](O)C[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000253176407 644941588 /nfs/dbraw/zinc/94/15/88/644941588.db2.gz PPNFAPPABSRTFF-VHSXEESVSA-N 2 1 202.298 -0.337 20 0 BBADMP COC[C@@H](O)C[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000253176407 644941584 /nfs/dbraw/zinc/94/15/84/644941584.db2.gz PPNFAPPABSRTFF-VHSXEESVSA-N 2 1 202.298 -0.337 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000253200213 644943710 /nfs/dbraw/zinc/94/37/10/644943710.db2.gz XCAJHMOZGXTPEU-GARJFASQSA-N 2 1 216.325 -0.090 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253200215 644942958 /nfs/dbraw/zinc/94/29/58/644942958.db2.gz XCAJHMOZGXTPEU-GMTAPVOTSA-N 2 1 216.325 -0.090 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253200541 642947563 /nfs/dbraw/zinc/94/75/63/642947563.db2.gz XCAJHMOZGXTPEU-HBNTYKKESA-N 2 1 216.325 -0.090 20 0 BBADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1C[NH3+] ZINC000253245804 135124523 /nfs/dbraw/zinc/12/45/23/135124523.db2.gz RGZMICLXMJEDMB-NXEZZACHSA-N 2 1 213.325 -0.009 20 0 BBADMP C[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1C[NH3+] ZINC000253245804 135124521 /nfs/dbraw/zinc/12/45/21/135124521.db2.gz RGZMICLXMJEDMB-NXEZZACHSA-N 2 1 213.325 -0.009 20 0 BBADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1C[NH3+] ZINC000253245805 135125145 /nfs/dbraw/zinc/12/51/45/135125145.db2.gz RGZMICLXMJEDMB-VHSXEESVSA-N 2 1 213.325 -0.009 20 0 BBADMP C[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1C[NH3+] ZINC000253245805 135125144 /nfs/dbraw/zinc/12/51/44/135125144.db2.gz RGZMICLXMJEDMB-VHSXEESVSA-N 2 1 213.325 -0.009 20 0 BBADMP C[C@H]1C(=O)NCCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000253486418 487864897 /nfs/dbraw/zinc/86/48/97/487864897.db2.gz WXNGXSPWYHSPIM-UWVGGRQHSA-N 2 1 211.309 -0.194 20 0 BBADMP C[C@H]1C(=O)NCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000253486418 487864893 /nfs/dbraw/zinc/86/48/93/487864893.db2.gz WXNGXSPWYHSPIM-UWVGGRQHSA-N 2 1 211.309 -0.194 20 0 BBADMP O[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000255077190 538008512 /nfs/dbraw/zinc/00/85/12/538008512.db2.gz ZXSNJCWDOWUDJX-JZIZGNRHSA-N 2 1 226.320 -0.324 20 0 BBADMP O[C@@H]1CC[N@H+](C/C=C\C[NH+]2CC[C@H](O)C2)C1 ZINC000255077191 538009419 /nfs/dbraw/zinc/00/94/19/538009419.db2.gz ZXSNJCWDOWUDJX-ZLLARURESA-N 2 1 226.320 -0.324 20 0 BBADMP O[C@@H]1CC[N@@H+](C/C=C\C[NH+]2CC[C@H](O)C2)C1 ZINC000255077191 538009412 /nfs/dbraw/zinc/00/94/12/538009412.db2.gz ZXSNJCWDOWUDJX-ZLLARURESA-N 2 1 226.320 -0.324 20 0 BBADMP O[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@H](O)C2)C1 ZINC000255077191 538009404 /nfs/dbraw/zinc/00/94/04/538009404.db2.gz ZXSNJCWDOWUDJX-ZLLARURESA-N 2 1 226.320 -0.324 20 0 BBADMP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000257361959 384923396 /nfs/dbraw/zinc/92/33/96/384923396.db2.gz FERZFXCNIJJFTG-FKTZTGRPSA-N 2 1 209.293 -0.314 20 0 BBADMP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000257361962 384925539 /nfs/dbraw/zinc/92/55/39/384925539.db2.gz FERZFXCNIJJFTG-UJNFCWOMSA-N 2 1 209.293 -0.314 20 0 BBADMP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000257362032 384924101 /nfs/dbraw/zinc/92/41/01/384924101.db2.gz XEHWAGGQLDKVHY-KXUCPTDWSA-N 2 1 209.293 -0.360 20 0 BBADMP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000257362033 384923766 /nfs/dbraw/zinc/92/37/66/384923766.db2.gz XEHWAGGQLDKVHY-LPEHRKFASA-N 2 1 209.293 -0.360 20 0 BBADMP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000257362138 384925423 /nfs/dbraw/zinc/92/54/23/384925423.db2.gz JFZCYNYMXSJFIS-DVVUODLYSA-N 2 1 223.320 -0.066 20 0 BBADMP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000257362140 384925765 /nfs/dbraw/zinc/92/57/65/384925765.db2.gz JFZCYNYMXSJFIS-INTQDDNPSA-N 2 1 223.320 -0.066 20 0 BBADMP Cn1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cn1 ZINC000257682502 135139422 /nfs/dbraw/zinc/13/94/22/135139422.db2.gz HHLSJVXBBQOQQY-CYBMUJFWSA-N 2 1 249.362 -0.100 20 0 BBADMP Cn1cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cn1 ZINC000257682503 135138908 /nfs/dbraw/zinc/13/89/08/135138908.db2.gz HHLSJVXBBQOQQY-ZDUSSCGKSA-N 2 1 249.362 -0.100 20 0 BBADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000257684280 385492789 /nfs/dbraw/zinc/49/27/89/385492789.db2.gz JZODQKDGMKLKOK-NXEZZACHSA-N 2 1 211.309 -0.051 20 0 BBADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000257684281 385492810 /nfs/dbraw/zinc/49/28/10/385492810.db2.gz JZODQKDGMKLKOK-UWVGGRQHSA-N 2 1 211.309 -0.051 20 0 BBADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000257684282 488080467 /nfs/dbraw/zinc/08/04/67/488080467.db2.gz JZODQKDGMKLKOK-VHSXEESVSA-N 2 1 211.309 -0.051 20 0 BBADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000257684283 385492273 /nfs/dbraw/zinc/49/22/73/385492273.db2.gz JZODQKDGMKLKOK-ZJUUUORDSA-N 2 1 211.309 -0.051 20 0 BBADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000257711295 385490474 /nfs/dbraw/zinc/49/04/74/385490474.db2.gz QVXHPBJXWFHJJH-NXEZZACHSA-N 2 1 211.309 -0.194 20 0 BBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000257711296 385490589 /nfs/dbraw/zinc/49/05/89/385490589.db2.gz QVXHPBJXWFHJJH-UWVGGRQHSA-N 2 1 211.309 -0.194 20 0 BBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000257711297 385490448 /nfs/dbraw/zinc/49/04/48/385490448.db2.gz QVXHPBJXWFHJJH-VHSXEESVSA-N 2 1 211.309 -0.194 20 0 BBADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000257711298 385490603 /nfs/dbraw/zinc/49/06/03/385490603.db2.gz QVXHPBJXWFHJJH-ZJUUUORDSA-N 2 1 211.309 -0.194 20 0 BBADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000257714128 385490394 /nfs/dbraw/zinc/49/03/94/385490394.db2.gz ROMKZEIUQHHPGR-NXEZZACHSA-N 2 1 211.309 -0.112 20 0 BBADMP c1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)n[nH]1 ZINC000257738685 135141091 /nfs/dbraw/zinc/14/10/91/135141091.db2.gz SDQALRWHIRTSBO-GFCCVEGCSA-N 2 1 235.335 -0.111 20 0 BBADMP c1cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)n[nH]1 ZINC000257738685 135141089 /nfs/dbraw/zinc/14/10/89/135141089.db2.gz SDQALRWHIRTSBO-GFCCVEGCSA-N 2 1 235.335 -0.111 20 0 BBADMP c1cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)n[nH]1 ZINC000257738686 135141104 /nfs/dbraw/zinc/14/11/04/135141104.db2.gz SDQALRWHIRTSBO-LBPRGKRZSA-N 2 1 235.335 -0.111 20 0 BBADMP c1cc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)n[nH]1 ZINC000257738686 135141103 /nfs/dbraw/zinc/14/11/03/135141103.db2.gz SDQALRWHIRTSBO-LBPRGKRZSA-N 2 1 235.335 -0.111 20 0 BBADMP [NH3+]CCC[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000257746057 349482700 /nfs/dbraw/zinc/48/27/00/349482700.db2.gz FJGJAKUKFAAEMZ-GFCCVEGCSA-N 2 1 227.352 -0.011 20 0 BBADMP [NH3+]CCC[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000257746059 349483003 /nfs/dbraw/zinc/48/30/03/349483003.db2.gz FJGJAKUKFAAEMZ-LBPRGKRZSA-N 2 1 227.352 -0.011 20 0 BBADMP C([C@@H]1CC[NH2+]C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000257766817 488087825 /nfs/dbraw/zinc/08/78/25/488087825.db2.gz ZZUOSZGAQMTJKZ-CHWSQXEVSA-N 2 1 238.379 -0.425 20 0 BBADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000257766817 488087816 /nfs/dbraw/zinc/08/78/16/488087816.db2.gz ZZUOSZGAQMTJKZ-CHWSQXEVSA-N 3 1 238.379 -0.425 20 0 BBADMP C([C@@H]1CC[NH2+]C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000257766818 488088191 /nfs/dbraw/zinc/08/81/91/488088191.db2.gz ZZUOSZGAQMTJKZ-OLZOCXBDSA-N 2 1 238.379 -0.425 20 0 BBADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000257766818 488088188 /nfs/dbraw/zinc/08/81/88/488088188.db2.gz ZZUOSZGAQMTJKZ-OLZOCXBDSA-N 3 1 238.379 -0.425 20 0 BBADMP C([C@H]1CC[NH2+]C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000257766820 488087116 /nfs/dbraw/zinc/08/71/16/488087116.db2.gz ZZUOSZGAQMTJKZ-QWHCGFSZSA-N 2 1 238.379 -0.425 20 0 BBADMP C([C@H]1CC[NH2+]C1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000257766820 488087114 /nfs/dbraw/zinc/08/71/14/488087114.db2.gz ZZUOSZGAQMTJKZ-QWHCGFSZSA-N 3 1 238.379 -0.425 20 0 BBADMP C([C@H]1CC[NH2+]C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000257766821 488087227 /nfs/dbraw/zinc/08/72/27/488087227.db2.gz ZZUOSZGAQMTJKZ-STQMWFEESA-N 2 1 238.379 -0.425 20 0 BBADMP C([C@H]1CC[NH2+]C1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000257766821 488087221 /nfs/dbraw/zinc/08/72/21/488087221.db2.gz ZZUOSZGAQMTJKZ-STQMWFEESA-N 3 1 238.379 -0.425 20 0 BBADMP C[N@H+]1CCCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000257777415 135141410 /nfs/dbraw/zinc/14/14/10/135141410.db2.gz DWYZQKWSEQBKDZ-UHFFFAOYSA-N 2 1 227.308 -0.861 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000258575641 536373520 /nfs/dbraw/zinc/37/35/20/536373520.db2.gz PNTGCMQNRCGGOX-NXEZZACHSA-N 2 1 226.324 -0.258 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000258575652 135132779 /nfs/dbraw/zinc/13/27/79/135132779.db2.gz PNTGCMQNRCGGOX-UWVGGRQHSA-N 2 1 226.324 -0.258 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000258575674 536373342 /nfs/dbraw/zinc/37/33/42/536373342.db2.gz PNTGCMQNRCGGOX-VHSXEESVSA-N 2 1 226.324 -0.258 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000258575687 135132871 /nfs/dbraw/zinc/13/28/71/135132871.db2.gz PNTGCMQNRCGGOX-ZJUUUORDSA-N 2 1 226.324 -0.258 20 0 BBADMP C[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000258579579 384617353 /nfs/dbraw/zinc/61/73/53/384617353.db2.gz PVEXIVNRNUINTM-NXEZZACHSA-N 2 1 226.324 -0.258 20 0 BBADMP C[N@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000258579584 487562689 /nfs/dbraw/zinc/56/26/89/487562689.db2.gz PVEXIVNRNUINTM-UWVGGRQHSA-N 2 1 226.324 -0.258 20 0 BBADMP C[N@H+]1CCC[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000258579588 488123059 /nfs/dbraw/zinc/12/30/59/488123059.db2.gz PVEXIVNRNUINTM-VHSXEESVSA-N 2 1 226.324 -0.258 20 0 BBADMP C[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000258579593 384615988 /nfs/dbraw/zinc/61/59/88/384615988.db2.gz PVEXIVNRNUINTM-ZJUUUORDSA-N 2 1 226.324 -0.258 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)NCCC[NH3+] ZINC000258586367 384616530 /nfs/dbraw/zinc/61/65/30/384616530.db2.gz QBSTYRKMEWWSCT-SECBINFHSA-N 2 1 214.313 -0.271 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)NCCC[NH3+] ZINC000258586393 384616598 /nfs/dbraw/zinc/61/65/98/384616598.db2.gz QBSTYRKMEWWSCT-VIFPVBQESA-N 2 1 214.313 -0.271 20 0 BBADMP C[N@H+]1CCC[C@H](NC(=O)N2CC[NH2+]CC2)C1 ZINC000258677121 488127232 /nfs/dbraw/zinc/12/72/32/488127232.db2.gz KISTYEFGJWIPCI-JTQLQIEISA-N 2 1 226.324 -0.305 20 0 BBADMP C[N@H+]1CCC[C@@H](NC(=O)N2CC[NH2+]CC2)C1 ZINC000258677125 488127213 /nfs/dbraw/zinc/12/72/13/488127213.db2.gz KISTYEFGJWIPCI-SNVBAGLBSA-N 2 1 226.324 -0.305 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH3+] ZINC000258742934 384654080 /nfs/dbraw/zinc/65/40/80/384654080.db2.gz WEVNXHVWADMHEU-MRVPVSSYSA-N 2 1 200.286 -0.662 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)NCC[NH3+] ZINC000258742944 384654289 /nfs/dbraw/zinc/65/42/89/384654289.db2.gz WEVNXHVWADMHEU-QMMMGPOBSA-N 2 1 200.286 -0.662 20 0 BBADMP O=S(=O)(CC1CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC000258919137 635225918 /nfs/dbraw/zinc/22/59/18/635225918.db2.gz PHWMAMBXKHQEBM-UHFFFAOYSA-N 2 1 247.364 -0.779 20 0 BBADMP C[NH+](C[C@@H](O)CO)C[C@@H]1CCC[N@@H+](C)C1 ZINC000258988014 635231721 /nfs/dbraw/zinc/23/17/21/635231721.db2.gz MIBNFDNADDXVQT-GHMZBOCLSA-N 2 1 216.325 -0.387 20 0 BBADMP C[NH+](C[C@@H](O)CO)C[C@@H]1CCC[N@H+](C)C1 ZINC000258988014 635231715 /nfs/dbraw/zinc/23/17/15/635231715.db2.gz MIBNFDNADDXVQT-GHMZBOCLSA-N 2 1 216.325 -0.387 20 0 BBADMP C[N@@H+](C[C@@H](O)CO)C[C@@H]1CCC[NH+](C)C1 ZINC000258988014 635231710 /nfs/dbraw/zinc/23/17/10/635231710.db2.gz MIBNFDNADDXVQT-GHMZBOCLSA-N 2 1 216.325 -0.387 20 0 BBADMP C[NH+](C[C@H](O)CO)C[C@@H]1CCC[N@@H+](C)C1 ZINC000258988016 635230671 /nfs/dbraw/zinc/23/06/71/635230671.db2.gz MIBNFDNADDXVQT-MNOVXSKESA-N 2 1 216.325 -0.387 20 0 BBADMP C[NH+](C[C@H](O)CO)C[C@@H]1CCC[N@H+](C)C1 ZINC000258988016 635230666 /nfs/dbraw/zinc/23/06/66/635230666.db2.gz MIBNFDNADDXVQT-MNOVXSKESA-N 2 1 216.325 -0.387 20 0 BBADMP C[N@@H+](C[C@H](O)CO)C[C@@H]1CCC[NH+](C)C1 ZINC000258988016 635230659 /nfs/dbraw/zinc/23/06/59/635230659.db2.gz MIBNFDNADDXVQT-MNOVXSKESA-N 2 1 216.325 -0.387 20 0 BBADMP C[NH+](C[C@H](O)CO)C[C@H]1CCC[N@@H+](C)C1 ZINC000258988019 635232277 /nfs/dbraw/zinc/23/22/77/635232277.db2.gz MIBNFDNADDXVQT-QWRGUYRKSA-N 2 1 216.325 -0.387 20 0 BBADMP C[NH+](C[C@H](O)CO)C[C@H]1CCC[N@H+](C)C1 ZINC000258988019 635232273 /nfs/dbraw/zinc/23/22/73/635232273.db2.gz MIBNFDNADDXVQT-QWRGUYRKSA-N 2 1 216.325 -0.387 20 0 BBADMP C[N@@H+](C[C@H](O)CO)C[C@H]1CCC[NH+](C)C1 ZINC000258988019 635232271 /nfs/dbraw/zinc/23/22/71/635232271.db2.gz MIBNFDNADDXVQT-QWRGUYRKSA-N 2 1 216.325 -0.387 20 0 BBADMP C[NH+](C[C@@H](O)CO)C[C@H]1CCC[N@@H+](C)C1 ZINC000258988020 635230817 /nfs/dbraw/zinc/23/08/17/635230817.db2.gz MIBNFDNADDXVQT-WDEREUQCSA-N 2 1 216.325 -0.387 20 0 BBADMP C[NH+](C[C@@H](O)CO)C[C@H]1CCC[N@H+](C)C1 ZINC000258988020 635230812 /nfs/dbraw/zinc/23/08/12/635230812.db2.gz MIBNFDNADDXVQT-WDEREUQCSA-N 2 1 216.325 -0.387 20 0 BBADMP C[N@@H+](C[C@@H](O)CO)C[C@H]1CCC[NH+](C)C1 ZINC000258988020 635230806 /nfs/dbraw/zinc/23/08/06/635230806.db2.gz MIBNFDNADDXVQT-WDEREUQCSA-N 2 1 216.325 -0.387 20 0 BBADMP C[N@@H+](CCN1CCOCC1)C[C@@H]1CC[NH2+]C1 ZINC000259264756 488155950 /nfs/dbraw/zinc/15/59/50/488155950.db2.gz NGENIQBNOUZFNN-GFCCVEGCSA-N 2 1 227.352 -0.140 20 0 BBADMP C[N@@H+](CCN1CCOCC1)C[C@H]1CC[NH2+]C1 ZINC000259264762 488156515 /nfs/dbraw/zinc/15/65/15/488156515.db2.gz NGENIQBNOUZFNN-LBPRGKRZSA-N 2 1 227.352 -0.140 20 0 BBADMP COCCOC[C@H]1CC[N@@H+](CCN)C1 ZINC000261528801 135154572 /nfs/dbraw/zinc/15/45/72/135154572.db2.gz NYKDIZGJCNRWLX-JTQLQIEISA-N 2 1 202.298 -0.070 20 0 BBADMP COCCOC[C@H]1CC[N@H+](CCN)C1 ZINC000261528801 135154571 /nfs/dbraw/zinc/15/45/71/135154571.db2.gz NYKDIZGJCNRWLX-JTQLQIEISA-N 2 1 202.298 -0.070 20 0 BBADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CCOC1 ZINC000261528833 135154372 /nfs/dbraw/zinc/15/43/72/135154372.db2.gz OJLNYYRSVKZMMB-JTQLQIEISA-N 2 1 202.298 -0.070 20 0 BBADMP C[N@@H+](CCOCC[NH3+])C[C@H]1CCOC1 ZINC000261528834 135154617 /nfs/dbraw/zinc/15/46/17/135154617.db2.gz OJLNYYRSVKZMMB-SNVBAGLBSA-N 2 1 202.298 -0.070 20 0 BBADMP [NH3+]C[C@@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC000261531408 135159673 /nfs/dbraw/zinc/15/96/73/135159673.db2.gz GJJGVMJCLDYINZ-JTQLQIEISA-N 2 1 209.297 -0.051 20 0 BBADMP [NH3+]C[C@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC000261531409 135159918 /nfs/dbraw/zinc/15/99/18/135159918.db2.gz GJJGVMJCLDYINZ-SNVBAGLBSA-N 2 1 209.297 -0.051 20 0 BBADMP C[N@@H+](CCOCC[NH3+])CCn1cccn1 ZINC000261531683 135160645 /nfs/dbraw/zinc/16/06/45/135160645.db2.gz HMCJPZUECHXXME-UHFFFAOYSA-N 2 1 212.297 -0.210 20 0 BBADMP Cc1[nH+]ccn1CCNC(=O)[C@H](C)C[NH3+] ZINC000261531787 135160944 /nfs/dbraw/zinc/16/09/44/135160944.db2.gz HVPXTUOFEDHARU-MRVPVSSYSA-N 2 1 210.281 -0.097 20 0 BBADMP Cc1[nH+]ccn1CCNC(=O)[C@@H](C)C[NH3+] ZINC000261531788 135160531 /nfs/dbraw/zinc/16/05/31/135160531.db2.gz HVPXTUOFEDHARU-QMMMGPOBSA-N 2 1 210.281 -0.097 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000261531895 135162150 /nfs/dbraw/zinc/16/21/50/135162150.db2.gz IHKUKZGFISSGAB-BDAKNGLRSA-N 2 1 215.297 -0.877 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000261531895 135162149 /nfs/dbraw/zinc/16/21/49/135162149.db2.gz IHKUKZGFISSGAB-BDAKNGLRSA-N 2 1 215.297 -0.877 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000261531896 536556054 /nfs/dbraw/zinc/55/60/54/536556054.db2.gz IHKUKZGFISSGAB-RKDXNWHRSA-N 2 1 215.297 -0.877 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000261531896 536556049 /nfs/dbraw/zinc/55/60/49/536556049.db2.gz IHKUKZGFISSGAB-RKDXNWHRSA-N 2 1 215.297 -0.877 20 0 BBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000261532687 135163570 /nfs/dbraw/zinc/16/35/70/135163570.db2.gz CHEDVTUBPKQDGP-NXEZZACHSA-N 2 1 227.308 -0.863 20 0 BBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000261532687 135163569 /nfs/dbraw/zinc/16/35/69/135163569.db2.gz CHEDVTUBPKQDGP-NXEZZACHSA-N 2 1 227.308 -0.863 20 0 BBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000261532688 135163694 /nfs/dbraw/zinc/16/36/94/135163694.db2.gz CHEDVTUBPKQDGP-VHSXEESVSA-N 2 1 227.308 -0.863 20 0 BBADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000261532688 135163692 /nfs/dbraw/zinc/16/36/92/135163692.db2.gz CHEDVTUBPKQDGP-VHSXEESVSA-N 2 1 227.308 -0.863 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000261533045 536374531 /nfs/dbraw/zinc/37/45/31/536374531.db2.gz GHVDRROGMWKKKB-NXEZZACHSA-N 2 1 227.308 -0.815 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000261533046 135163929 /nfs/dbraw/zinc/16/39/29/135163929.db2.gz GHVDRROGMWKKKB-VHSXEESVSA-N 2 1 227.308 -0.815 20 0 BBADMP [NH3+]CC[N@@H+](CCO)CC1CCOCC1 ZINC000261534602 135167962 /nfs/dbraw/zinc/16/79/62/135167962.db2.gz MSLVWFSRFZJUAI-UHFFFAOYSA-N 2 1 202.298 -0.334 20 0 BBADMP [NH3+]CC[N@H+](CCO)CC1CCOCC1 ZINC000261534602 135167960 /nfs/dbraw/zinc/16/79/60/135167960.db2.gz MSLVWFSRFZJUAI-UHFFFAOYSA-N 2 1 202.298 -0.334 20 0 BBADMP C[NH2+]CCC(=O)NCCn1cc[nH+]c1C ZINC000261534927 135169178 /nfs/dbraw/zinc/16/91/78/135169178.db2.gz NKSDIYLHCSDLBS-UHFFFAOYSA-N 2 1 210.281 -0.083 20 0 BBADMP CS(=O)(=O)NCC[NH2+]CC1([NH3+])CCC1 ZINC000261535075 135168426 /nfs/dbraw/zinc/16/84/26/135168426.db2.gz NSLVQAZENZKGCN-UHFFFAOYSA-N 2 1 221.326 -0.993 20 0 BBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000261535362 135169378 /nfs/dbraw/zinc/16/93/78/135169378.db2.gz OGZVAECCZAXCAK-UWVGGRQHSA-N 2 1 211.309 -0.242 20 0 BBADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000261535362 135169377 /nfs/dbraw/zinc/16/93/77/135169377.db2.gz OGZVAECCZAXCAK-UWVGGRQHSA-N 2 1 211.309 -0.242 20 0 BBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000261535363 135169383 /nfs/dbraw/zinc/16/93/83/135169383.db2.gz OGZVAECCZAXCAK-ZJUUUORDSA-N 2 1 211.309 -0.242 20 0 BBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000261535363 135169382 /nfs/dbraw/zinc/16/93/82/135169382.db2.gz OGZVAECCZAXCAK-ZJUUUORDSA-N 2 1 211.309 -0.242 20 0 BBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1COCCN1 ZINC000261535400 135169576 /nfs/dbraw/zinc/16/95/76/135169576.db2.gz YEUYNBRNTMPXLD-NXEZZACHSA-N 2 1 227.308 -0.863 20 0 BBADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1COCCN1 ZINC000261535401 135169851 /nfs/dbraw/zinc/16/98/51/135169851.db2.gz YEUYNBRNTMPXLD-VHSXEESVSA-N 2 1 227.308 -0.863 20 0 BBADMP [NH3+]CC[N@@H+](CCO)CC1CC[NH2+]CC1 ZINC000261536328 135171066 /nfs/dbraw/zinc/17/10/66/135171066.db2.gz RGUPTSXCZUMBQF-UHFFFAOYSA-N 3 1 201.314 -0.761 20 0 BBADMP [NH3+]CC[N@H+](CCO)CC1CC[NH2+]CC1 ZINC000261536328 135171065 /nfs/dbraw/zinc/17/10/65/135171065.db2.gz RGUPTSXCZUMBQF-UHFFFAOYSA-N 3 1 201.314 -0.761 20 0 BBADMP NCC[N@@H+](CCO)CC1CC[NH2+]CC1 ZINC000261536328 135171064 /nfs/dbraw/zinc/17/10/64/135171064.db2.gz RGUPTSXCZUMBQF-UHFFFAOYSA-N 2 1 201.314 -0.761 20 0 BBADMP NCC[N@H+](CCO)CC1CC[NH2+]CC1 ZINC000261536328 135171063 /nfs/dbraw/zinc/17/10/63/135171063.db2.gz RGUPTSXCZUMBQF-UHFFFAOYSA-N 2 1 201.314 -0.761 20 0 BBADMP CC(C)[C@H]([NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000261536541 135171895 /nfs/dbraw/zinc/17/18/95/135171895.db2.gz SBYLSLRTTVNPFP-LURJTMIESA-N 2 1 209.240 -0.320 20 0 BBADMP C[N@@H+](CCn1cncn1)C1CC[NH2+]CC1 ZINC000261537473 135174151 /nfs/dbraw/zinc/17/41/51/135174151.db2.gz VSFJMXYPHFICIO-UHFFFAOYSA-N 2 1 209.297 -0.038 20 0 BBADMP C[N@H+](CCn1cncn1)C1CC[NH2+]CC1 ZINC000261537473 135174150 /nfs/dbraw/zinc/17/41/50/135174150.db2.gz VSFJMXYPHFICIO-UHFFFAOYSA-N 2 1 209.297 -0.038 20 0 BBADMP Cc1[nH+]ccn1CCNC(=O)C1([NH3+])CC1 ZINC000261538081 135175264 /nfs/dbraw/zinc/17/52/64/135175264.db2.gz XJWWNFQZEJGBFQ-UHFFFAOYSA-N 2 1 208.265 -0.201 20 0 BBADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CSC[NH2+]1 ZINC000261538084 135175414 /nfs/dbraw/zinc/17/54/14/135175414.db2.gz XKFNUHUZDOMKQJ-BIIVOSGPSA-N 2 1 215.322 -0.403 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH3+])C1 ZINC000261539292 536876618 /nfs/dbraw/zinc/87/66/18/536876618.db2.gz CBAMHVSNHXUMKT-BDAKNGLRSA-N 2 1 215.297 -0.830 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)[NH3+])C1 ZINC000261539293 135178186 /nfs/dbraw/zinc/17/81/86/135178186.db2.gz CBAMHVSNHXUMKT-DTWKUNHWSA-N 2 1 215.297 -0.830 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH3+])C1 ZINC000261539294 536876656 /nfs/dbraw/zinc/87/66/56/536876656.db2.gz CBAMHVSNHXUMKT-IUCAKERBSA-N 2 1 215.297 -0.830 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH3+])C1 ZINC000261539295 135177881 /nfs/dbraw/zinc/17/78/81/135177881.db2.gz CBAMHVSNHXUMKT-RKDXNWHRSA-N 2 1 215.297 -0.830 20 0 BBADMP COCC[N@@H+](CCO)C[C@]1(C)CC[NH2+]C1 ZINC000261539520 135178077 /nfs/dbraw/zinc/17/80/77/135178077.db2.gz CQXJSNCCKHAVTB-LLVKDONJSA-N 2 1 216.325 -0.073 20 0 BBADMP COCC[N@H+](CCO)C[C@]1(C)CC[NH2+]C1 ZINC000261539520 135178075 /nfs/dbraw/zinc/17/80/75/135178075.db2.gz CQXJSNCCKHAVTB-LLVKDONJSA-N 2 1 216.325 -0.073 20 0 BBADMP COCC[N@@H+](CCO)C[C@@]1(C)CC[NH2+]C1 ZINC000261539521 135177625 /nfs/dbraw/zinc/17/76/25/135177625.db2.gz CQXJSNCCKHAVTB-NSHDSACASA-N 2 1 216.325 -0.073 20 0 BBADMP COCC[N@H+](CCO)C[C@@]1(C)CC[NH2+]C1 ZINC000261539521 135177624 /nfs/dbraw/zinc/17/76/24/135177624.db2.gz CQXJSNCCKHAVTB-NSHDSACASA-N 2 1 216.325 -0.073 20 0 BBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000261539621 135178502 /nfs/dbraw/zinc/17/85/02/135178502.db2.gz AOGWHJLUNRACQM-DCAQKATOSA-N 2 1 243.351 -0.444 20 0 BBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000261539624 135178736 /nfs/dbraw/zinc/17/87/36/135178736.db2.gz AOGWHJLUNRACQM-GARJFASQSA-N 2 1 243.351 -0.444 20 0 BBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000261539625 135178373 /nfs/dbraw/zinc/17/83/73/135178373.db2.gz AOGWHJLUNRACQM-HBNTYKKESA-N 2 1 243.351 -0.444 20 0 BBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC000261539725 135178682 /nfs/dbraw/zinc/17/86/82/135178682.db2.gz BIDNBKHVLMCPJI-MNOVXSKESA-N 2 1 241.335 -0.473 20 0 BBADMP C[C@H]1C[N@H+](C)CCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC000261539727 135178965 /nfs/dbraw/zinc/17/89/65/135178965.db2.gz BIDNBKHVLMCPJI-QWRGUYRKSA-N 2 1 241.335 -0.473 20 0 BBADMP C[N@@H+](CCOCCO)C[C@]1(C)CC[NH2+]C1 ZINC000261540241 536396439 /nfs/dbraw/zinc/39/64/39/536396439.db2.gz DWBJPPYAJGLRIX-LLVKDONJSA-N 2 1 216.325 -0.073 20 0 BBADMP C[N@@H+](CCOCCO)C[C@@]1(C)CC[NH2+]C1 ZINC000261540242 536396560 /nfs/dbraw/zinc/39/65/60/536396560.db2.gz DWBJPPYAJGLRIX-NSHDSACASA-N 2 1 216.325 -0.073 20 0 BBADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1CSC[NH2+]1 ZINC000261540521 135179656 /nfs/dbraw/zinc/17/96/56/135179656.db2.gz FAPHPDVQPFMBMU-CIUDSAMLSA-N 2 1 229.349 -0.094 20 0 BBADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CSC[NH2+]1 ZINC000261540525 135179128 /nfs/dbraw/zinc/17/91/28/135179128.db2.gz FAPHPDVQPFMBMU-XHNCKOQMSA-N 2 1 229.349 -0.094 20 0 BBADMP CC[N@@H+](C)CCNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000261540897 135179837 /nfs/dbraw/zinc/17/98/37/135179837.db2.gz ANPKFSKNAAYPAY-GFCCVEGCSA-N 2 1 243.351 -0.320 20 0 BBADMP CC[N@@H+](C)CCNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000261540898 135180176 /nfs/dbraw/zinc/18/01/76/135180176.db2.gz ANPKFSKNAAYPAY-LBPRGKRZSA-N 2 1 243.351 -0.320 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000261541358 536557934 /nfs/dbraw/zinc/55/79/34/536557934.db2.gz KFIXIEUVKALHTR-GMTAPVOTSA-N 2 1 241.335 -0.345 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000261541359 536558155 /nfs/dbraw/zinc/55/81/55/536558155.db2.gz KFIXIEUVKALHTR-OUAUKWLOSA-N 2 1 241.335 -0.345 20 0 BBADMP C[NH2+]CC(=O)NCCC[N@@H+](C)CCOC ZINC000261541982 135181642 /nfs/dbraw/zinc/18/16/42/135181642.db2.gz GFSRBQYTSIBVOV-UHFFFAOYSA-N 2 1 217.313 -0.710 20 0 BBADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000261542169 135182578 /nfs/dbraw/zinc/18/25/78/135182578.db2.gz BXGXHCXXLJJYCA-JTQLQIEISA-N 2 1 238.291 -0.704 20 0 BBADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000261542170 135182744 /nfs/dbraw/zinc/18/27/44/135182744.db2.gz BXGXHCXXLJJYCA-SNVBAGLBSA-N 2 1 238.291 -0.704 20 0 BBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H](C[NH3+])OC ZINC000261542183 535560061 /nfs/dbraw/zinc/56/00/61/535560061.db2.gz NHAVQKYVOJYCRI-GHMZBOCLSA-N 2 1 243.351 -0.049 20 0 BBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C[C@H](C[NH3+])OC ZINC000261542184 535599342 /nfs/dbraw/zinc/59/93/42/535599342.db2.gz NHAVQKYVOJYCRI-WDEREUQCSA-N 2 1 243.351 -0.049 20 0 BBADMP CC[N@@H+](CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)C1CC1 ZINC000261542236 535732595 /nfs/dbraw/zinc/73/25/95/535732595.db2.gz OCKDJCVPUNYVCU-QWRGUYRKSA-N 2 1 241.335 -0.690 20 0 BBADMP CC[N@@H+](CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1)C1CC1 ZINC000261542237 135182758 /nfs/dbraw/zinc/18/27/58/135182758.db2.gz OCKDJCVPUNYVCU-WDEREUQCSA-N 2 1 241.335 -0.690 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000261543481 536391659 /nfs/dbraw/zinc/39/16/59/536391659.db2.gz SXIXARQOZNLNOK-QWRGUYRKSA-N 2 1 241.335 -0.425 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000261543483 135184008 /nfs/dbraw/zinc/18/40/08/135184008.db2.gz SXIXARQOZNLNOK-WDEREUQCSA-N 2 1 241.335 -0.425 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000261543793 135184527 /nfs/dbraw/zinc/18/45/27/135184527.db2.gz UYUJAXVOIBLIFX-GMTAPVOTSA-N 2 1 241.335 -0.297 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000261543794 135184973 /nfs/dbraw/zinc/18/49/73/135184973.db2.gz UYUJAXVOIBLIFX-HBNTYKKESA-N 2 1 241.335 -0.297 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000261543812 135184363 /nfs/dbraw/zinc/18/43/63/135184363.db2.gz VGPIQSVDFBTFMW-MNOVXSKESA-N 2 1 241.335 -0.425 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000261543813 536391523 /nfs/dbraw/zinc/39/15/23/536391523.db2.gz VGPIQSVDFBTFMW-QWRGUYRKSA-N 2 1 241.335 -0.425 20 0 BBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261544005 536320512 /nfs/dbraw/zinc/32/05/12/536320512.db2.gz DLJRJWVWRKLTIW-LLVKDONJSA-N 2 1 242.323 -0.497 20 0 BBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261544008 536320189 /nfs/dbraw/zinc/32/01/89/536320189.db2.gz DLJRJWVWRKLTIW-NSHDSACASA-N 2 1 242.323 -0.497 20 0 BBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000261544142 135185433 /nfs/dbraw/zinc/18/54/33/135185433.db2.gz XDEHRABKZPVPDU-GHMZBOCLSA-N 2 1 243.351 -0.179 20 0 BBADMP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000261544142 135185432 /nfs/dbraw/zinc/18/54/32/135185432.db2.gz XDEHRABKZPVPDU-GHMZBOCLSA-N 2 1 243.351 -0.179 20 0 BBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000261544143 135185344 /nfs/dbraw/zinc/18/53/44/135185344.db2.gz XDEHRABKZPVPDU-WDEREUQCSA-N 2 1 243.351 -0.179 20 0 BBADMP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000261544143 135185343 /nfs/dbraw/zinc/18/53/43/135185343.db2.gz XDEHRABKZPVPDU-WDEREUQCSA-N 2 1 243.351 -0.179 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000261544154 135185281 /nfs/dbraw/zinc/18/52/81/135185281.db2.gz XHCIQRQSAASKDW-QWRGUYRKSA-N 2 1 241.335 -0.343 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000261544154 135185280 /nfs/dbraw/zinc/18/52/80/135185280.db2.gz XHCIQRQSAASKDW-QWRGUYRKSA-N 2 1 241.335 -0.343 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000261544155 536557053 /nfs/dbraw/zinc/55/70/53/536557053.db2.gz XHCIQRQSAASKDW-WDEREUQCSA-N 2 1 241.335 -0.343 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000261544155 536557049 /nfs/dbraw/zinc/55/70/49/536557049.db2.gz XHCIQRQSAASKDW-WDEREUQCSA-N 2 1 241.335 -0.343 20 0 BBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000261544182 135185276 /nfs/dbraw/zinc/18/52/76/135185276.db2.gz XNGOWGKMQVKVLE-MNOVXSKESA-N 2 1 241.335 -0.473 20 0 BBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000261544182 135185275 /nfs/dbraw/zinc/18/52/75/135185275.db2.gz XNGOWGKMQVKVLE-MNOVXSKESA-N 2 1 241.335 -0.473 20 0 BBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000261544183 135185070 /nfs/dbraw/zinc/18/50/70/135185070.db2.gz XNGOWGKMQVKVLE-QWRGUYRKSA-N 2 1 241.335 -0.473 20 0 BBADMP C[C@H]1C[N@H+](C)CCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000261544183 135185069 /nfs/dbraw/zinc/18/50/69/135185069.db2.gz XNGOWGKMQVKVLE-QWRGUYRKSA-N 2 1 241.335 -0.473 20 0 BBADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C[NH3+])OC ZINC000261544401 135185199 /nfs/dbraw/zinc/18/51/99/135185199.db2.gz XVEBDEHAMGIQLU-MNOVXSKESA-N 2 1 243.351 -0.097 20 0 BBADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C[NH3+])OC ZINC000261544402 135185083 /nfs/dbraw/zinc/18/50/83/135185083.db2.gz XVEBDEHAMGIQLU-QWRGUYRKSA-N 2 1 243.351 -0.097 20 0 BBADMP C[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)[N@@H+](C)C1CC1 ZINC000261544433 135185409 /nfs/dbraw/zinc/18/54/09/135185409.db2.gz YBJCXTVCVIYWKV-DVVUODLYSA-N 2 1 241.335 -0.692 20 0 BBADMP C[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)[N@@H+](C)C1CC1 ZINC000261544434 135185402 /nfs/dbraw/zinc/18/54/02/135185402.db2.gz YBJCXTVCVIYWKV-MIMYLULJSA-N 2 1 241.335 -0.692 20 0 BBADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000261544453 135185181 /nfs/dbraw/zinc/18/51/81/135185181.db2.gz YEFWJYVJDYUFOI-QWRGUYRKSA-N 2 1 243.351 -0.443 20 0 BBADMP CCC[N@@H+](CC)CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000261544454 135185660 /nfs/dbraw/zinc/18/56/60/135185660.db2.gz YEFWJYVJDYUFOI-WDEREUQCSA-N 2 1 243.351 -0.443 20 0 BBADMP CO[C@H](C[NH3+])CC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000261544780 135186205 /nfs/dbraw/zinc/18/62/05/135186205.db2.gz ZXBXJBUJKZIQSJ-QWRGUYRKSA-N 2 1 241.335 -0.343 20 0 BBADMP CO[C@@H](C[NH3+])CC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000261544781 135186196 /nfs/dbraw/zinc/18/61/96/135186196.db2.gz ZXBXJBUJKZIQSJ-WDEREUQCSA-N 2 1 241.335 -0.343 20 0 BBADMP C[NH2+]CC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261545052 135186439 /nfs/dbraw/zinc/18/64/39/135186439.db2.gz JNDRDAMGVQFXND-PSASIEDQSA-N 2 1 211.309 -0.195 20 0 BBADMP C[NH2+]CC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261545053 135186838 /nfs/dbraw/zinc/18/68/38/135186838.db2.gz JNDRDAMGVQFXND-SCZZXKLOSA-N 2 1 211.309 -0.195 20 0 BBADMP C[NH2+]CC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261545054 135186881 /nfs/dbraw/zinc/18/68/81/135186881.db2.gz JNDRDAMGVQFXND-WCBMZHEXSA-N 2 1 211.309 -0.195 20 0 BBADMP C[NH2+]CC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261545055 135186486 /nfs/dbraw/zinc/18/64/86/135186486.db2.gz JNDRDAMGVQFXND-WPRPVWTQSA-N 2 1 211.309 -0.195 20 0 BBADMP C[C@H]([NH3+])C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261547006 135239658 /nfs/dbraw/zinc/23/96/58/135239658.db2.gz LOCVUWZRZJJFTC-KHQFGBGNSA-N 2 1 211.309 -0.068 20 0 BBADMP C[C@H]([NH3+])C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261547007 135239008 /nfs/dbraw/zinc/23/90/08/135239008.db2.gz LOCVUWZRZJJFTC-NRPADANISA-N 2 1 211.309 -0.068 20 0 BBADMP C[C@H]([NH3+])C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261547008 135239424 /nfs/dbraw/zinc/23/94/24/135239424.db2.gz LOCVUWZRZJJFTC-OYNCUSHFSA-N 2 1 211.309 -0.068 20 0 BBADMP C[C@H]([NH3+])C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261547009 135239360 /nfs/dbraw/zinc/23/93/60/135239360.db2.gz LOCVUWZRZJJFTC-WEDXCCLWSA-N 2 1 211.309 -0.068 20 0 BBADMP NC(=O)NC(=O)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261547481 135239958 /nfs/dbraw/zinc/23/99/58/135239958.db2.gz IFAWKMHFNWHPLP-BDAKNGLRSA-N 2 1 240.307 -0.887 20 0 BBADMP NC(=O)NC(=O)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261547481 135239956 /nfs/dbraw/zinc/23/99/56/135239956.db2.gz IFAWKMHFNWHPLP-BDAKNGLRSA-N 2 1 240.307 -0.887 20 0 BBADMP NC(=O)NC(=O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261547482 135240458 /nfs/dbraw/zinc/24/04/58/135240458.db2.gz IFAWKMHFNWHPLP-DTWKUNHWSA-N 2 1 240.307 -0.887 20 0 BBADMP NC(=O)NC(=O)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261547482 135240457 /nfs/dbraw/zinc/24/04/57/135240457.db2.gz IFAWKMHFNWHPLP-DTWKUNHWSA-N 2 1 240.307 -0.887 20 0 BBADMP NC(=O)NC(=O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261547483 135239962 /nfs/dbraw/zinc/23/99/62/135239962.db2.gz IFAWKMHFNWHPLP-IUCAKERBSA-N 2 1 240.307 -0.887 20 0 BBADMP NC(=O)NC(=O)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261547483 135239961 /nfs/dbraw/zinc/23/99/61/135239961.db2.gz IFAWKMHFNWHPLP-IUCAKERBSA-N 2 1 240.307 -0.887 20 0 BBADMP NC(=O)NC(=O)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261547484 135240141 /nfs/dbraw/zinc/24/01/41/135240141.db2.gz IFAWKMHFNWHPLP-RKDXNWHRSA-N 2 1 240.307 -0.887 20 0 BBADMP NC(=O)NC(=O)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261547484 135240140 /nfs/dbraw/zinc/24/01/40/135240140.db2.gz IFAWKMHFNWHPLP-RKDXNWHRSA-N 2 1 240.307 -0.887 20 0 BBADMP CNC(=O)NC(=O)CC[NH+]1CCC([NH2+]C)CC1 ZINC000261547679 536319766 /nfs/dbraw/zinc/31/97/66/536319766.db2.gz IMJKMRMTKSNMTB-UHFFFAOYSA-N 2 1 242.323 -0.484 20 0 BBADMP C[C@@]1(C[N@H+]2CC[C@H](C(N)=O)C2)CC[NH2+]C1 ZINC000261549486 135188044 /nfs/dbraw/zinc/18/80/44/135188044.db2.gz OQWQABXPJCEURJ-GXSJLCMTSA-N 2 1 211.309 -0.207 20 0 BBADMP C[C@]1(C[N@H+]2CC[C@@H](C(N)=O)C2)CC[NH2+]C1 ZINC000261549487 135188725 /nfs/dbraw/zinc/18/87/25/135188725.db2.gz OQWQABXPJCEURJ-KOLCDFICSA-N 2 1 211.309 -0.207 20 0 BBADMP C[C@@]1(C[N@H+]2CC[C@@H](C(N)=O)C2)CC[NH2+]C1 ZINC000261549488 135188593 /nfs/dbraw/zinc/18/85/93/135188593.db2.gz OQWQABXPJCEURJ-MWLCHTKSSA-N 2 1 211.309 -0.207 20 0 BBADMP C[C@]1(C[N@H+]2CC[C@H](C(N)=O)C2)CC[NH2+]C1 ZINC000261549489 135188494 /nfs/dbraw/zinc/18/84/94/135188494.db2.gz OQWQABXPJCEURJ-ONGXEEELSA-N 2 1 211.309 -0.207 20 0 BBADMP C[N@@H+](CC1CC[NH2+]CC1)CC(C)(CO)CO ZINC000261549697 135188417 /nfs/dbraw/zinc/18/84/17/135188417.db2.gz PBEHSBOYIICMOZ-UHFFFAOYSA-N 2 1 230.352 -0.091 20 0 BBADMP C[C@]1(C[NH3+])CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000261550706 135189196 /nfs/dbraw/zinc/18/91/96/135189196.db2.gz LNSLNGWBWOWOMO-GFCCVEGCSA-N 2 1 239.319 -0.194 20 0 BBADMP C[C@]1(C[NH3+])CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC000261550706 135189195 /nfs/dbraw/zinc/18/91/95/135189195.db2.gz LNSLNGWBWOWOMO-GFCCVEGCSA-N 2 1 239.319 -0.194 20 0 BBADMP C[C@@]1(C[NH3+])CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000261550707 135189223 /nfs/dbraw/zinc/18/92/23/135189223.db2.gz LNSLNGWBWOWOMO-LBPRGKRZSA-N 2 1 239.319 -0.194 20 0 BBADMP C[C@@]1(C[NH3+])CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC000261550707 135189222 /nfs/dbraw/zinc/18/92/22/135189222.db2.gz LNSLNGWBWOWOMO-LBPRGKRZSA-N 2 1 239.319 -0.194 20 0 BBADMP NC(=O)NC(=O)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261551013 135190068 /nfs/dbraw/zinc/19/00/68/135190068.db2.gz LTOXRMIAWCRUQM-BDAKNGLRSA-N 2 1 240.307 -0.745 20 0 BBADMP NC(=O)NC(=O)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261551013 135190067 /nfs/dbraw/zinc/19/00/67/135190067.db2.gz LTOXRMIAWCRUQM-BDAKNGLRSA-N 2 1 240.307 -0.745 20 0 BBADMP NC(=O)NC(=O)CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261551014 135190225 /nfs/dbraw/zinc/19/02/25/135190225.db2.gz LTOXRMIAWCRUQM-DTWKUNHWSA-N 2 1 240.307 -0.745 20 0 BBADMP NC(=O)NC(=O)CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261551014 135190224 /nfs/dbraw/zinc/19/02/24/135190224.db2.gz LTOXRMIAWCRUQM-DTWKUNHWSA-N 2 1 240.307 -0.745 20 0 BBADMP NC(=O)NC(=O)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261551015 135190185 /nfs/dbraw/zinc/19/01/85/135190185.db2.gz LTOXRMIAWCRUQM-IUCAKERBSA-N 2 1 240.307 -0.745 20 0 BBADMP NC(=O)NC(=O)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261551015 135190184 /nfs/dbraw/zinc/19/01/84/135190184.db2.gz LTOXRMIAWCRUQM-IUCAKERBSA-N 2 1 240.307 -0.745 20 0 BBADMP NC(=O)NC(=O)CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261551016 135190476 /nfs/dbraw/zinc/19/04/76/135190476.db2.gz LTOXRMIAWCRUQM-RKDXNWHRSA-N 2 1 240.307 -0.745 20 0 BBADMP NC(=O)NC(=O)CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261551016 135190475 /nfs/dbraw/zinc/19/04/75/135190475.db2.gz LTOXRMIAWCRUQM-RKDXNWHRSA-N 2 1 240.307 -0.745 20 0 BBADMP COC[C@@]1(C(=O)N2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000261553602 135192667 /nfs/dbraw/zinc/19/26/67/135192667.db2.gz ODEWFHOHXMUPRQ-GFCCVEGCSA-N 2 1 241.335 -0.614 20 0 BBADMP COC[C@]1(C(=O)N2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000261553603 536654345 /nfs/dbraw/zinc/65/43/45/536654345.db2.gz ODEWFHOHXMUPRQ-LBPRGKRZSA-N 2 1 241.335 -0.614 20 0 BBADMP CC[NH2+][C@H](C)CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000261553798 135193668 /nfs/dbraw/zinc/19/36/68/135193668.db2.gz SUVFXMWNMRGMFJ-BDAKNGLRSA-N 2 1 215.297 -0.911 20 0 BBADMP CC[NH2+][C@H](C)CNC(=O)[C@H]1COCC[NH2+]1 ZINC000261553799 135193793 /nfs/dbraw/zinc/19/37/93/135193793.db2.gz SUVFXMWNMRGMFJ-RKDXNWHRSA-N 2 1 215.297 -0.911 20 0 BBADMP CCS(=O)(=O)NCC[NH2+]CC1([NH3+])CCC1 ZINC000261555127 388649410 /nfs/dbraw/zinc/64/94/10/388649410.db2.gz USSSASSHCQTMDB-UHFFFAOYSA-N 2 1 235.353 -0.603 20 0 BBADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000261555709 135195070 /nfs/dbraw/zinc/19/50/70/135195070.db2.gz VCSFTIFPBKQLHF-BDAKNGLRSA-N 2 1 235.353 -0.795 20 0 BBADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC000261555709 135195069 /nfs/dbraw/zinc/19/50/69/135195069.db2.gz VCSFTIFPBKQLHF-BDAKNGLRSA-N 2 1 235.353 -0.795 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000261555710 135195567 /nfs/dbraw/zinc/19/55/67/135195567.db2.gz VCSFTIFPBKQLHF-DTWKUNHWSA-N 2 1 235.353 -0.795 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC000261555710 135195566 /nfs/dbraw/zinc/19/55/66/135195566.db2.gz VCSFTIFPBKQLHF-DTWKUNHWSA-N 2 1 235.353 -0.795 20 0 BBADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000261555711 135195140 /nfs/dbraw/zinc/19/51/40/135195140.db2.gz VCSFTIFPBKQLHF-IUCAKERBSA-N 2 1 235.353 -0.795 20 0 BBADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC000261555711 135195139 /nfs/dbraw/zinc/19/51/39/135195139.db2.gz VCSFTIFPBKQLHF-IUCAKERBSA-N 2 1 235.353 -0.795 20 0 BBADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000261555712 135195589 /nfs/dbraw/zinc/19/55/89/135195589.db2.gz VCSFTIFPBKQLHF-RKDXNWHRSA-N 2 1 235.353 -0.795 20 0 BBADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC000261555712 135195588 /nfs/dbraw/zinc/19/55/88/135195588.db2.gz VCSFTIFPBKQLHF-RKDXNWHRSA-N 2 1 235.353 -0.795 20 0 BBADMP C[NH2+]CC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000261556000 135195929 /nfs/dbraw/zinc/19/59/29/135195929.db2.gz VNKNRURCRWKVAD-SECBINFHSA-N 2 1 215.297 -0.957 20 0 BBADMP C[NH2+]CC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000261556002 135195824 /nfs/dbraw/zinc/19/58/24/135195824.db2.gz VNKNRURCRWKVAD-VIFPVBQESA-N 2 1 215.297 -0.957 20 0 BBADMP NC(=O)NC(=O)CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261557408 135197896 /nfs/dbraw/zinc/19/78/96/135197896.db2.gz RORFVVABCVGOGU-LLVKDONJSA-N 2 1 240.307 -0.743 20 0 BBADMP NC(=O)NC(=O)CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261557409 135197768 /nfs/dbraw/zinc/19/77/68/135197768.db2.gz RORFVVABCVGOGU-NSHDSACASA-N 2 1 240.307 -0.743 20 0 BBADMP C[C@@]1(C[N@H+]2CCNC(=O)CC2)CC[NH2+]C1 ZINC000261557577 135197877 /nfs/dbraw/zinc/19/78/77/135197877.db2.gz XMJCHNUAFYKWQL-LLVKDONJSA-N 2 1 211.309 -0.192 20 0 BBADMP C[C@@]1(C[N@@H+]2CCNC(=O)CC2)CC[NH2+]C1 ZINC000261557577 135197875 /nfs/dbraw/zinc/19/78/75/135197875.db2.gz XMJCHNUAFYKWQL-LLVKDONJSA-N 2 1 211.309 -0.192 20 0 BBADMP C[C@]1(C[N@H+]2CCNC(=O)CC2)CC[NH2+]C1 ZINC000261557578 135198134 /nfs/dbraw/zinc/19/81/34/135198134.db2.gz XMJCHNUAFYKWQL-NSHDSACASA-N 2 1 211.309 -0.192 20 0 BBADMP C[C@]1(C[N@@H+]2CCNC(=O)CC2)CC[NH2+]C1 ZINC000261557578 135198133 /nfs/dbraw/zinc/19/81/33/135198133.db2.gz XMJCHNUAFYKWQL-NSHDSACASA-N 2 1 211.309 -0.192 20 0 BBADMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CSC[NH2+]1 ZINC000261558969 135199844 /nfs/dbraw/zinc/19/98/44/135199844.db2.gz YSAWACOICSAHQG-DJLDLDEBSA-N 2 1 229.349 -0.237 20 0 BBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CSC[NH2+]1 ZINC000261558971 135199394 /nfs/dbraw/zinc/19/93/94/135199394.db2.gz YSAWACOICSAHQG-HLTSFMKQSA-N 2 1 229.349 -0.237 20 0 BBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CSC[NH2+]1 ZINC000261558972 135199482 /nfs/dbraw/zinc/19/94/82/135199482.db2.gz YSAWACOICSAHQG-HRDYMLBCSA-N 2 1 229.349 -0.237 20 0 BBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CSC[NH2+]1 ZINC000261558974 135199583 /nfs/dbraw/zinc/19/95/83/135199583.db2.gz YSAWACOICSAHQG-IWSPIJDZSA-N 2 1 229.349 -0.237 20 0 BBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CSC[NH2+]1 ZINC000261558975 135199492 /nfs/dbraw/zinc/19/94/92/135199492.db2.gz YSAWACOICSAHQG-VGMNWLOBSA-N 2 1 229.349 -0.237 20 0 BBADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CSC[NH2+]1 ZINC000261558977 135199638 /nfs/dbraw/zinc/19/96/38/135199638.db2.gz YSAWACOICSAHQG-XHNCKOQMSA-N 2 1 229.349 -0.237 20 0 BBADMP Cn1nccc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261559137 135199911 /nfs/dbraw/zinc/19/99/11/135199911.db2.gz DKSBGJFGRKAKEF-CYBMUJFWSA-N 2 1 249.362 -0.100 20 0 BBADMP Cn1nccc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261559138 135199530 /nfs/dbraw/zinc/19/95/30/135199530.db2.gz DKSBGJFGRKAKEF-ZDUSSCGKSA-N 2 1 249.362 -0.100 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000261561167 135201658 /nfs/dbraw/zinc/20/16/58/135201658.db2.gz AKOVLVZLONUAAF-UWVGGRQHSA-N 2 1 227.308 -0.733 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000261561168 536556345 /nfs/dbraw/zinc/55/63/45/536556345.db2.gz AKOVLVZLONUAAF-VHSXEESVSA-N 2 1 227.308 -0.733 20 0 BBADMP COCC[NH2+]CC(=O)NCCn1cc[nH+]c1C ZINC000261561993 135203492 /nfs/dbraw/zinc/20/34/92/135203492.db2.gz VWTYYUNMLREXIV-UHFFFAOYSA-N 2 1 240.307 -0.456 20 0 BBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261562500 135204100 /nfs/dbraw/zinc/20/41/00/135204100.db2.gz BILXLMXQRAKDLG-GMSGAONNSA-N 2 1 228.296 -0.760 20 0 BBADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261562500 135204099 /nfs/dbraw/zinc/20/40/99/135204099.db2.gz BILXLMXQRAKDLG-GMSGAONNSA-N 2 1 228.296 -0.760 20 0 BBADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261562501 135204177 /nfs/dbraw/zinc/20/41/77/135204177.db2.gz BILXLMXQRAKDLG-OIBJUYFYSA-N 2 1 228.296 -0.760 20 0 BBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261562501 135204175 /nfs/dbraw/zinc/20/41/75/135204175.db2.gz BILXLMXQRAKDLG-OIBJUYFYSA-N 2 1 228.296 -0.760 20 0 BBADMP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261562502 135204534 /nfs/dbraw/zinc/20/45/34/135204534.db2.gz BILXLMXQRAKDLG-XCBNKYQSSA-N 2 1 228.296 -0.760 20 0 BBADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261562502 135204532 /nfs/dbraw/zinc/20/45/32/135204532.db2.gz BILXLMXQRAKDLG-XCBNKYQSSA-N 2 1 228.296 -0.760 20 0 BBADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261562505 135204523 /nfs/dbraw/zinc/20/45/23/135204523.db2.gz BILXLMXQRAKDLG-XVKPBYJWSA-N 2 1 228.296 -0.760 20 0 BBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261562505 135204521 /nfs/dbraw/zinc/20/45/21/135204521.db2.gz BILXLMXQRAKDLG-XVKPBYJWSA-N 2 1 228.296 -0.760 20 0 BBADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C[NH3+])OC)C1 ZINC000261566040 135208077 /nfs/dbraw/zinc/20/80/77/135208077.db2.gz DGIVEMOFAXQNFC-UWVGGRQHSA-N 2 1 229.324 -0.582 20 0 BBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H](C[NH3+])OC)C1 ZINC000261566042 135207360 /nfs/dbraw/zinc/20/73/60/135207360.db2.gz DGIVEMOFAXQNFC-ZJUUUORDSA-N 2 1 229.324 -0.582 20 0 BBADMP Cn1cncc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261572657 135215096 /nfs/dbraw/zinc/21/50/96/135215096.db2.gz LXAXZVOKGIQGOF-GFCCVEGCSA-N 2 1 249.362 -0.100 20 0 BBADMP Cn1cncc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261572658 135215298 /nfs/dbraw/zinc/21/52/98/135215298.db2.gz LXAXZVOKGIQGOF-LBPRGKRZSA-N 2 1 249.362 -0.100 20 0 BBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCNS(C)(=O)=O ZINC000261572848 135214791 /nfs/dbraw/zinc/21/47/91/135214791.db2.gz IKKZLYBMVAYLLT-BDAKNGLRSA-N 2 1 235.353 -0.795 20 0 BBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCNS(C)(=O)=O ZINC000261572848 135214789 /nfs/dbraw/zinc/21/47/89/135214789.db2.gz IKKZLYBMVAYLLT-BDAKNGLRSA-N 2 1 235.353 -0.795 20 0 BBADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCNS(C)(=O)=O ZINC000261572849 135214700 /nfs/dbraw/zinc/21/47/00/135214700.db2.gz IKKZLYBMVAYLLT-DTWKUNHWSA-N 2 1 235.353 -0.795 20 0 BBADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCNS(C)(=O)=O ZINC000261572849 135214698 /nfs/dbraw/zinc/21/46/98/135214698.db2.gz IKKZLYBMVAYLLT-DTWKUNHWSA-N 2 1 235.353 -0.795 20 0 BBADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCNS(C)(=O)=O ZINC000261572850 135214512 /nfs/dbraw/zinc/21/45/12/135214512.db2.gz IKKZLYBMVAYLLT-IUCAKERBSA-N 2 1 235.353 -0.795 20 0 BBADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCNS(C)(=O)=O ZINC000261572850 135214511 /nfs/dbraw/zinc/21/45/11/135214511.db2.gz IKKZLYBMVAYLLT-IUCAKERBSA-N 2 1 235.353 -0.795 20 0 BBADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCNS(C)(=O)=O ZINC000261572851 135214666 /nfs/dbraw/zinc/21/46/66/135214666.db2.gz IKKZLYBMVAYLLT-RKDXNWHRSA-N 2 1 235.353 -0.795 20 0 BBADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCNS(C)(=O)=O ZINC000261572851 135214665 /nfs/dbraw/zinc/21/46/65/135214665.db2.gz IKKZLYBMVAYLLT-RKDXNWHRSA-N 2 1 235.353 -0.795 20 0 BBADMP COCC[N@@H+](C)CCCNC(=O)C[NH3+] ZINC000261573820 135216165 /nfs/dbraw/zinc/21/61/65/135216165.db2.gz IZQGDSLPQVNETG-UHFFFAOYSA-N 2 1 203.286 -0.970 20 0 BBADMP c1ncn(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000261575463 135216826 /nfs/dbraw/zinc/21/68/26/135216826.db2.gz JTUFCSHOEWWSPA-GHMZBOCLSA-N 2 1 221.308 -0.181 20 0 BBADMP c1ncn(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000261575463 135216825 /nfs/dbraw/zinc/21/68/25/135216825.db2.gz JTUFCSHOEWWSPA-GHMZBOCLSA-N 2 1 221.308 -0.181 20 0 BBADMP c1ncn(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000261575464 135216839 /nfs/dbraw/zinc/21/68/39/135216839.db2.gz JTUFCSHOEWWSPA-MNOVXSKESA-N 2 1 221.308 -0.181 20 0 BBADMP c1ncn(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000261575464 135216838 /nfs/dbraw/zinc/21/68/38/135216838.db2.gz JTUFCSHOEWWSPA-MNOVXSKESA-N 2 1 221.308 -0.181 20 0 BBADMP c1ncn(CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000261575465 135216858 /nfs/dbraw/zinc/21/68/58/135216858.db2.gz JTUFCSHOEWWSPA-QWRGUYRKSA-N 2 1 221.308 -0.181 20 0 BBADMP c1ncn(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000261575465 135216857 /nfs/dbraw/zinc/21/68/57/135216857.db2.gz JTUFCSHOEWWSPA-QWRGUYRKSA-N 2 1 221.308 -0.181 20 0 BBADMP c1ncn(CC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000261575466 135216863 /nfs/dbraw/zinc/21/68/63/135216863.db2.gz JTUFCSHOEWWSPA-WDEREUQCSA-N 2 1 221.308 -0.181 20 0 BBADMP c1ncn(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000261575466 135216862 /nfs/dbraw/zinc/21/68/62/135216862.db2.gz JTUFCSHOEWWSPA-WDEREUQCSA-N 2 1 221.308 -0.181 20 0 BBADMP CC[N@H+]1CCC[C@H](NC(=O)[C@H](C[NH3+])OC)C1 ZINC000261576082 135217251 /nfs/dbraw/zinc/21/72/51/135217251.db2.gz KDZWVYWVFRYUAE-UWVGGRQHSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C[NH3+])OC)C1 ZINC000261576083 535535435 /nfs/dbraw/zinc/53/54/35/535535435.db2.gz KDZWVYWVFRYUAE-ZJUUUORDSA-N 2 1 229.324 -0.439 20 0 BBADMP C[C@@H]([NH3+])C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261578197 135219187 /nfs/dbraw/zinc/21/91/87/135219187.db2.gz LOCVUWZRZJJFTC-MRTMQBJTSA-N 2 1 211.309 -0.068 20 0 BBADMP C[C@@H]([NH3+])C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261578198 135219074 /nfs/dbraw/zinc/21/90/74/135219074.db2.gz LOCVUWZRZJJFTC-NQMVMOMDSA-N 2 1 211.309 -0.068 20 0 BBADMP C[C@@H]([NH3+])C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261578199 135219052 /nfs/dbraw/zinc/21/90/52/135219052.db2.gz LOCVUWZRZJJFTC-QXFUBDJGSA-N 2 1 211.309 -0.068 20 0 BBADMP C[C@@H]([NH3+])C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261578200 135219098 /nfs/dbraw/zinc/21/90/98/135219098.db2.gz LOCVUWZRZJJFTC-XKSSXDPKSA-N 2 1 211.309 -0.068 20 0 BBADMP COC[C@@H]1C[N@@H+](CCOCC[NH3+])CCO1 ZINC000261578610 135219651 /nfs/dbraw/zinc/21/96/51/135219651.db2.gz LUIXNLONBWVXLT-JTQLQIEISA-N 2 1 218.297 -0.691 20 0 BBADMP COC[C@@H]1C[N@H+](CCOCC[NH3+])CCO1 ZINC000261578610 135219650 /nfs/dbraw/zinc/21/96/50/135219650.db2.gz LUIXNLONBWVXLT-JTQLQIEISA-N 2 1 218.297 -0.691 20 0 BBADMP COC[C@H]1C[N@@H+](CCOCC[NH3+])CCO1 ZINC000261578611 536585301 /nfs/dbraw/zinc/58/53/01/536585301.db2.gz LUIXNLONBWVXLT-SNVBAGLBSA-N 2 1 218.297 -0.691 20 0 BBADMP COC[C@H]1C[N@H+](CCOCC[NH3+])CCO1 ZINC000261578611 536585293 /nfs/dbraw/zinc/58/52/93/536585293.db2.gz LUIXNLONBWVXLT-SNVBAGLBSA-N 2 1 218.297 -0.691 20 0 BBADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C[NH3+])OC ZINC000261581752 135222269 /nfs/dbraw/zinc/22/22/69/135222269.db2.gz NWOFFJPTACTLNI-UWVGGRQHSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C[NH3+])OC ZINC000261581753 535566224 /nfs/dbraw/zinc/56/62/24/535566224.db2.gz NWOFFJPTACTLNI-ZJUUUORDSA-N 2 1 229.324 -0.439 20 0 BBADMP c1ncn(CC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000261582017 135222803 /nfs/dbraw/zinc/22/28/03/135222803.db2.gz NYHKEROAMLZGOC-LLVKDONJSA-N 2 1 221.308 -0.037 20 0 BBADMP c1ncn(CC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000261582017 135222802 /nfs/dbraw/zinc/22/28/02/135222802.db2.gz NYHKEROAMLZGOC-LLVKDONJSA-N 2 1 221.308 -0.037 20 0 BBADMP c1ncn(CC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)n1 ZINC000261582018 135222003 /nfs/dbraw/zinc/22/20/03/135222003.db2.gz NYHKEROAMLZGOC-NSHDSACASA-N 2 1 221.308 -0.037 20 0 BBADMP c1ncn(CC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)n1 ZINC000261582018 135222001 /nfs/dbraw/zinc/22/20/01/135222001.db2.gz NYHKEROAMLZGOC-NSHDSACASA-N 2 1 221.308 -0.037 20 0 BBADMP CC(C)([NH3+])C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000261585963 135226760 /nfs/dbraw/zinc/22/67/60/135226760.db2.gz QSNZBYUVOWBMNO-LLVKDONJSA-N 2 1 211.309 -0.064 20 0 BBADMP CC(C)([NH3+])C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000261585963 135226759 /nfs/dbraw/zinc/22/67/59/135226759.db2.gz QSNZBYUVOWBMNO-LLVKDONJSA-N 2 1 211.309 -0.064 20 0 BBADMP CC(C)([NH3+])C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000261585964 135226835 /nfs/dbraw/zinc/22/68/35/135226835.db2.gz QSNZBYUVOWBMNO-NSHDSACASA-N 2 1 211.309 -0.064 20 0 BBADMP CC(C)([NH3+])C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000261585964 135226834 /nfs/dbraw/zinc/22/68/34/135226834.db2.gz QSNZBYUVOWBMNO-NSHDSACASA-N 2 1 211.309 -0.064 20 0 BBADMP C[C@H]1CN(CC(C)(C)[NH3+])CC[N@H+]1CCO ZINC000261586691 135227633 /nfs/dbraw/zinc/22/76/33/135227633.db2.gz RIPPOYMRZVBIEA-JTQLQIEISA-N 2 1 215.341 -0.278 20 0 BBADMP C[C@@H]1CN(CC(C)(C)[NH3+])CC[N@H+]1CCO ZINC000261586692 135227668 /nfs/dbraw/zinc/22/76/68/135227668.db2.gz RIPPOYMRZVBIEA-SNVBAGLBSA-N 2 1 215.341 -0.278 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)C1([NH3+])CCCC1 ZINC000261589922 135229967 /nfs/dbraw/zinc/22/99/67/135229967.db2.gz UEEQUBDQRAQRMM-UHFFFAOYSA-N 2 1 221.251 -0.032 20 0 BBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnnn1C ZINC000261592394 135232761 /nfs/dbraw/zinc/23/27/61/135232761.db2.gz VUNUCGIWHCIDLX-BDAKNGLRSA-N 2 1 209.297 -0.016 20 0 BBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cnnn1C ZINC000261592394 135232760 /nfs/dbraw/zinc/23/27/60/135232760.db2.gz VUNUCGIWHCIDLX-BDAKNGLRSA-N 2 1 209.297 -0.016 20 0 BBADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnnn1C ZINC000261592395 135232702 /nfs/dbraw/zinc/23/27/02/135232702.db2.gz VUNUCGIWHCIDLX-DTWKUNHWSA-N 2 1 209.297 -0.016 20 0 BBADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cnnn1C ZINC000261592395 135232700 /nfs/dbraw/zinc/23/27/00/135232700.db2.gz VUNUCGIWHCIDLX-DTWKUNHWSA-N 2 1 209.297 -0.016 20 0 BBADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnnn1C ZINC000261592396 135232995 /nfs/dbraw/zinc/23/29/95/135232995.db2.gz VUNUCGIWHCIDLX-IUCAKERBSA-N 2 1 209.297 -0.016 20 0 BBADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cnnn1C ZINC000261592396 135232994 /nfs/dbraw/zinc/23/29/94/135232994.db2.gz VUNUCGIWHCIDLX-IUCAKERBSA-N 2 1 209.297 -0.016 20 0 BBADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnnn1C ZINC000261592397 135232943 /nfs/dbraw/zinc/23/29/43/135232943.db2.gz VUNUCGIWHCIDLX-RKDXNWHRSA-N 2 1 209.297 -0.016 20 0 BBADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cnnn1C ZINC000261592397 135232942 /nfs/dbraw/zinc/23/29/42/135232942.db2.gz VUNUCGIWHCIDLX-RKDXNWHRSA-N 2 1 209.297 -0.016 20 0 BBADMP C[C@](C[NH3+])([NH2+]CCNS(C)(=O)=O)C1CC1 ZINC000261596216 135235742 /nfs/dbraw/zinc/23/57/42/135235742.db2.gz YQAWHMIJJHIFSB-SECBINFHSA-N 2 1 235.353 -0.747 20 0 BBADMP C[C@@](C[NH3+])([NH2+]CCNS(C)(=O)=O)C1CC1 ZINC000261596220 135236235 /nfs/dbraw/zinc/23/62/35/135236235.db2.gz YQAWHMIJJHIFSB-VIFPVBQESA-N 2 1 235.353 -0.747 20 0 BBADMP C[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000261596250 135235863 /nfs/dbraw/zinc/23/58/63/135235863.db2.gz YRERKPVLHXDAEY-AEJSXWLSSA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000261596252 135236368 /nfs/dbraw/zinc/23/63/68/135236368.db2.gz YRERKPVLHXDAEY-BBBLOLIVSA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000261596254 135236110 /nfs/dbraw/zinc/23/61/10/135236110.db2.gz YRERKPVLHXDAEY-GUBZILKMSA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000261596256 135236351 /nfs/dbraw/zinc/23/63/51/135236351.db2.gz YRERKPVLHXDAEY-IVZWLZJFSA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000261596258 135235590 /nfs/dbraw/zinc/23/55/90/135235590.db2.gz YRERKPVLHXDAEY-KXUCPTDWSA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000261596260 135236143 /nfs/dbraw/zinc/23/61/43/135236143.db2.gz YRERKPVLHXDAEY-LPEHRKFASA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000261596262 135235852 /nfs/dbraw/zinc/23/58/52/135235852.db2.gz YRERKPVLHXDAEY-OPRDCNLKSA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000261596264 135236116 /nfs/dbraw/zinc/23/61/16/135236116.db2.gz YRERKPVLHXDAEY-UTLUCORTSA-N 2 1 211.309 -0.114 20 0 BBADMP c1ncn(CC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000261596335 135235680 /nfs/dbraw/zinc/23/56/80/135235680.db2.gz YSSQKOXGLHZHSZ-GHMZBOCLSA-N 2 1 221.308 -0.038 20 0 BBADMP c1ncn(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000261596335 135235679 /nfs/dbraw/zinc/23/56/79/135235679.db2.gz YSSQKOXGLHZHSZ-GHMZBOCLSA-N 2 1 221.308 -0.038 20 0 BBADMP c1ncn(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000261596337 135235947 /nfs/dbraw/zinc/23/59/47/135235947.db2.gz YSSQKOXGLHZHSZ-MNOVXSKESA-N 2 1 221.308 -0.038 20 0 BBADMP c1ncn(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000261596337 135235946 /nfs/dbraw/zinc/23/59/46/135235946.db2.gz YSSQKOXGLHZHSZ-MNOVXSKESA-N 2 1 221.308 -0.038 20 0 BBADMP c1ncn(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)n1 ZINC000261596339 135236006 /nfs/dbraw/zinc/23/60/06/135236006.db2.gz YSSQKOXGLHZHSZ-QWRGUYRKSA-N 2 1 221.308 -0.038 20 0 BBADMP c1ncn(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)n1 ZINC000261596339 135236004 /nfs/dbraw/zinc/23/60/04/135236004.db2.gz YSSQKOXGLHZHSZ-QWRGUYRKSA-N 2 1 221.308 -0.038 20 0 BBADMP c1ncn(CC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)n1 ZINC000261596340 135235677 /nfs/dbraw/zinc/23/56/77/135235677.db2.gz YSSQKOXGLHZHSZ-WDEREUQCSA-N 2 1 221.308 -0.038 20 0 BBADMP c1ncn(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)n1 ZINC000261596340 135235676 /nfs/dbraw/zinc/23/56/76/135235676.db2.gz YSSQKOXGLHZHSZ-WDEREUQCSA-N 2 1 221.308 -0.038 20 0 BBADMP C[C@@]1(C[NH3+])CC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000261599656 135237731 /nfs/dbraw/zinc/23/77/31/135237731.db2.gz ZWEQQKYFMOCWHV-JTQLQIEISA-N 2 1 228.296 -0.758 20 0 BBADMP C[C@]1(C[NH3+])CC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000261599657 135238009 /nfs/dbraw/zinc/23/80/09/135238009.db2.gz ZWEQQKYFMOCWHV-SNVBAGLBSA-N 2 1 228.296 -0.758 20 0 BBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261607576 135237603 /nfs/dbraw/zinc/23/76/03/135237603.db2.gz AUYLVOCNXKNCIZ-AXFHLTTASA-N 2 1 241.335 -0.345 20 0 BBADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261607576 135237602 /nfs/dbraw/zinc/23/76/02/135237602.db2.gz AUYLVOCNXKNCIZ-AXFHLTTASA-N 2 1 241.335 -0.345 20 0 BBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261607577 135237801 /nfs/dbraw/zinc/23/78/01/135237801.db2.gz AUYLVOCNXKNCIZ-MXWKQRLJSA-N 2 1 241.335 -0.345 20 0 BBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261607577 135237800 /nfs/dbraw/zinc/23/78/00/135237800.db2.gz AUYLVOCNXKNCIZ-MXWKQRLJSA-N 2 1 241.335 -0.345 20 0 BBADMP COCC[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000261628947 536794756 /nfs/dbraw/zinc/79/47/56/536794756.db2.gz FETCCADZFNIFGW-LLVKDONJSA-N 2 1 243.351 -0.177 20 0 BBADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000261628950 536790919 /nfs/dbraw/zinc/79/09/19/536790919.db2.gz FETCCADZFNIFGW-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP C[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)CC[N@H+]1CCO ZINC000261683683 135246257 /nfs/dbraw/zinc/24/62/57/135246257.db2.gz AKSHOLSMKSTIFR-CHWSQXEVSA-N 2 1 241.379 -0.016 20 0 BBADMP C[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[N@H+]1CCO ZINC000261683688 135246064 /nfs/dbraw/zinc/24/60/64/135246064.db2.gz AKSHOLSMKSTIFR-OLZOCXBDSA-N 2 1 241.379 -0.016 20 0 BBADMP C[C@H]1CN(C[C@]2(C)CC[NH2+]C2)CC[N@H+]1CCO ZINC000261683691 135245981 /nfs/dbraw/zinc/24/59/81/135245981.db2.gz AKSHOLSMKSTIFR-QWHCGFSZSA-N 2 1 241.379 -0.016 20 0 BBADMP C[C@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[N@H+]1CCO ZINC000261683696 135245667 /nfs/dbraw/zinc/24/56/67/135245667.db2.gz AKSHOLSMKSTIFR-STQMWFEESA-N 2 1 241.379 -0.016 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261697872 135246518 /nfs/dbraw/zinc/24/65/18/135246518.db2.gz LHECRMVXLYVCHX-GHMZBOCLSA-N 2 1 241.335 -0.425 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261697874 135246477 /nfs/dbraw/zinc/24/64/77/135246477.db2.gz LHECRMVXLYVCHX-MNOVXSKESA-N 2 1 241.335 -0.425 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261697876 536877751 /nfs/dbraw/zinc/87/77/51/536877751.db2.gz LHECRMVXLYVCHX-QWRGUYRKSA-N 2 1 241.335 -0.425 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261697879 536876804 /nfs/dbraw/zinc/87/68/04/536876804.db2.gz LHECRMVXLYVCHX-WDEREUQCSA-N 2 1 241.335 -0.425 20 0 BBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)[NH3+] ZINC000261717619 135247274 /nfs/dbraw/zinc/24/72/74/135247274.db2.gz GQYMDEPVZRROHR-GHMZBOCLSA-N 2 1 243.351 -0.049 20 0 BBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H](C)[NH3+] ZINC000261717620 135247316 /nfs/dbraw/zinc/24/73/16/135247316.db2.gz GQYMDEPVZRROHR-MNOVXSKESA-N 2 1 243.351 -0.049 20 0 BBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C[C@H](C)[NH3+] ZINC000261717621 135247537 /nfs/dbraw/zinc/24/75/37/135247537.db2.gz GQYMDEPVZRROHR-QWRGUYRKSA-N 2 1 243.351 -0.049 20 0 BBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H](C)[NH3+] ZINC000261717622 135247831 /nfs/dbraw/zinc/24/78/31/135247831.db2.gz GQYMDEPVZRROHR-WDEREUQCSA-N 2 1 243.351 -0.049 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)[NH3+])C1 ZINC000261744060 135248956 /nfs/dbraw/zinc/24/89/56/135248956.db2.gz IOAZBJJCLYXMNS-NXEZZACHSA-N 2 1 229.324 -0.439 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)C[C@H](C)[NH3+])C1 ZINC000261744061 135248994 /nfs/dbraw/zinc/24/89/94/135248994.db2.gz IOAZBJJCLYXMNS-UWVGGRQHSA-N 2 1 229.324 -0.439 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC(=O)C[C@H](C)[NH3+])C1 ZINC000261744062 135249027 /nfs/dbraw/zinc/24/90/27/135249027.db2.gz IOAZBJJCLYXMNS-VHSXEESVSA-N 2 1 229.324 -0.439 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)[NH3+])C1 ZINC000261744063 135249137 /nfs/dbraw/zinc/24/91/37/135249137.db2.gz IOAZBJJCLYXMNS-ZJUUUORDSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[N@@H+](C)CCNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261745277 135248927 /nfs/dbraw/zinc/24/89/27/135248927.db2.gz KTKAXRQKVBUEJQ-LLVKDONJSA-N 2 1 243.351 -0.192 20 0 BBADMP CC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261745279 135249104 /nfs/dbraw/zinc/24/91/04/135249104.db2.gz KTKAXRQKVBUEJQ-NSHDSACASA-N 2 1 243.351 -0.192 20 0 BBADMP CCOCC[NH+]1CCN(C(=O)C[C@@H](C)[NH3+])CC1 ZINC000261756166 135249704 /nfs/dbraw/zinc/24/97/04/135249704.db2.gz HRJQPTKLNJDXHR-LLVKDONJSA-N 2 1 243.351 -0.096 20 0 BBADMP CCOCC[NH+]1CCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000261756168 135249813 /nfs/dbraw/zinc/24/98/13/135249813.db2.gz HRJQPTKLNJDXHR-NSHDSACASA-N 2 1 243.351 -0.096 20 0 BBADMP CC(C)C[N@H+]1CCO[C@H](CNC(N)=[NH2+])C1 ZINC000261771258 135251915 /nfs/dbraw/zinc/25/19/15/135251915.db2.gz MTCNFPPXDAFGDJ-SECBINFHSA-N 2 1 214.313 -0.174 20 0 BBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(N)=[NH2+])C1 ZINC000261771262 535109973 /nfs/dbraw/zinc/10/99/73/535109973.db2.gz MTCNFPPXDAFGDJ-VIFPVBQESA-N 2 1 214.313 -0.174 20 0 BBADMP C[C@@H]([NH3+])C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000261786329 135252905 /nfs/dbraw/zinc/25/29/05/135252905.db2.gz KAKCOBRDLCSVOK-SSDOTTSWSA-N 2 1 225.296 -0.551 20 0 BBADMP C[C@H]([NH3+])CC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000261820572 135255111 /nfs/dbraw/zinc/25/51/11/135255111.db2.gz MMPAEMQAALGZRZ-JTQLQIEISA-N 2 1 243.351 -0.049 20 0 BBADMP C[C@H]([NH3+])CC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000261820572 135255110 /nfs/dbraw/zinc/25/51/10/135255110.db2.gz MMPAEMQAALGZRZ-JTQLQIEISA-N 2 1 243.351 -0.049 20 0 BBADMP C[C@@H]([NH3+])CC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000261820576 135255146 /nfs/dbraw/zinc/25/51/46/135255146.db2.gz MMPAEMQAALGZRZ-SNVBAGLBSA-N 2 1 243.351 -0.049 20 0 BBADMP C[C@@H]([NH3+])CC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000261820576 135255145 /nfs/dbraw/zinc/25/51/45/135255145.db2.gz MMPAEMQAALGZRZ-SNVBAGLBSA-N 2 1 243.351 -0.049 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261838084 135256903 /nfs/dbraw/zinc/25/69/03/135256903.db2.gz QKHPIUOLICOCDG-AXFHLTTASA-N 2 1 241.335 -0.297 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261838086 536373987 /nfs/dbraw/zinc/37/39/87/536373987.db2.gz QKHPIUOLICOCDG-MXWKQRLJSA-N 2 1 241.335 -0.297 20 0 BBADMP C[C@@H]([NH3+])CC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000261845887 135112460 /nfs/dbraw/zinc/11/24/60/135112460.db2.gz OGVXDGGJIYUDJG-MRVPVSSYSA-N 2 1 239.323 -0.160 20 0 BBADMP C[C@H]([NH3+])CC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000261845889 135257013 /nfs/dbraw/zinc/25/70/13/135257013.db2.gz OGVXDGGJIYUDJG-QMMMGPOBSA-N 2 1 239.323 -0.160 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH2+]C)C1 ZINC000261873294 135258915 /nfs/dbraw/zinc/25/89/15/135258915.db2.gz ZYRKCMOJBSESLO-NXEZZACHSA-N 2 1 229.324 -0.569 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH2+]C)C1 ZINC000261873294 135258913 /nfs/dbraw/zinc/25/89/13/135258913.db2.gz ZYRKCMOJBSESLO-NXEZZACHSA-N 2 1 229.324 -0.569 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH2+]C)C1 ZINC000261873296 135258935 /nfs/dbraw/zinc/25/89/35/135258935.db2.gz ZYRKCMOJBSESLO-UWVGGRQHSA-N 2 1 229.324 -0.569 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH2+]C)C1 ZINC000261873296 135258934 /nfs/dbraw/zinc/25/89/34/135258934.db2.gz ZYRKCMOJBSESLO-UWVGGRQHSA-N 2 1 229.324 -0.569 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH2+]C)C1 ZINC000261873299 135258725 /nfs/dbraw/zinc/25/87/25/135258725.db2.gz ZYRKCMOJBSESLO-VHSXEESVSA-N 2 1 229.324 -0.569 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH2+]C)C1 ZINC000261873299 135258724 /nfs/dbraw/zinc/25/87/24/135258724.db2.gz ZYRKCMOJBSESLO-VHSXEESVSA-N 2 1 229.324 -0.569 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH2+]C)C1 ZINC000261873301 535762466 /nfs/dbraw/zinc/76/24/66/535762466.db2.gz ZYRKCMOJBSESLO-ZJUUUORDSA-N 2 1 229.324 -0.569 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH2+]C)C1 ZINC000261873301 535762463 /nfs/dbraw/zinc/76/24/63/535762463.db2.gz ZYRKCMOJBSESLO-ZJUUUORDSA-N 2 1 229.324 -0.569 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000261880564 135260147 /nfs/dbraw/zinc/26/01/47/135260147.db2.gz ABMKFTWJYUIUPB-QWRGUYRKSA-N 2 1 241.335 -0.439 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000261880564 135260145 /nfs/dbraw/zinc/26/01/45/135260145.db2.gz ABMKFTWJYUIUPB-QWRGUYRKSA-N 2 1 241.335 -0.439 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000261880566 135260272 /nfs/dbraw/zinc/26/02/72/135260272.db2.gz ABMKFTWJYUIUPB-WDEREUQCSA-N 2 1 241.335 -0.439 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000261880566 135260270 /nfs/dbraw/zinc/26/02/70/135260270.db2.gz ABMKFTWJYUIUPB-WDEREUQCSA-N 2 1 241.335 -0.439 20 0 BBADMP CNC(=O)N[C@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261892404 135261015 /nfs/dbraw/zinc/26/10/15/135261015.db2.gz UCEHTLUISWWHED-CMPLNLGQSA-N 2 1 240.351 -0.011 20 0 BBADMP CNC(=O)N[C@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261892404 135261014 /nfs/dbraw/zinc/26/10/14/135261014.db2.gz UCEHTLUISWWHED-CMPLNLGQSA-N 2 1 240.351 -0.011 20 0 BBADMP CNC(=O)N[C@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261892407 135261239 /nfs/dbraw/zinc/26/12/39/135261239.db2.gz UCEHTLUISWWHED-JQWIXIFHSA-N 2 1 240.351 -0.011 20 0 BBADMP CNC(=O)N[C@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261892407 135261238 /nfs/dbraw/zinc/26/12/38/135261238.db2.gz UCEHTLUISWWHED-JQWIXIFHSA-N 2 1 240.351 -0.011 20 0 BBADMP CNC(=O)N[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261892410 135260654 /nfs/dbraw/zinc/26/06/54/135260654.db2.gz UCEHTLUISWWHED-PWSUYJOCSA-N 2 1 240.351 -0.011 20 0 BBADMP CNC(=O)N[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261892410 135260653 /nfs/dbraw/zinc/26/06/53/135260653.db2.gz UCEHTLUISWWHED-PWSUYJOCSA-N 2 1 240.351 -0.011 20 0 BBADMP CNC(=O)N[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261892412 135260729 /nfs/dbraw/zinc/26/07/29/135260729.db2.gz UCEHTLUISWWHED-ZYHUDNBSSA-N 2 1 240.351 -0.011 20 0 BBADMP CNC(=O)N[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261892412 135260728 /nfs/dbraw/zinc/26/07/28/135260728.db2.gz UCEHTLUISWWHED-ZYHUDNBSSA-N 2 1 240.351 -0.011 20 0 BBADMP C[C@@]1(CN2CC[NH+](CCO)CC2)CC[NH2+]C1 ZINC000261894786 135261114 /nfs/dbraw/zinc/26/11/14/135261114.db2.gz UUNMRYHUNOCTPH-GFCCVEGCSA-N 2 1 227.352 -0.404 20 0 BBADMP C[C@]1(CN2CC[NH+](CCO)CC2)CC[NH2+]C1 ZINC000261894787 135260755 /nfs/dbraw/zinc/26/07/55/135260755.db2.gz UUNMRYHUNOCTPH-LBPRGKRZSA-N 2 1 227.352 -0.404 20 0 BBADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCN1CCO ZINC000261934545 135264272 /nfs/dbraw/zinc/26/42/72/135264272.db2.gz LVUXNHUTNYCIMJ-GFCCVEGCSA-N 2 1 241.379 -0.016 20 0 BBADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCN1CCO ZINC000261934547 135264292 /nfs/dbraw/zinc/26/42/92/135264292.db2.gz LVUXNHUTNYCIMJ-LBPRGKRZSA-N 2 1 241.379 -0.016 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH2+]C2)C1 ZINC000261950293 535761545 /nfs/dbraw/zinc/76/15/45/535761545.db2.gz PLQUVUWWIXWVCH-JTQLQIEISA-N 2 1 227.308 -0.957 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH2+]C2)C1 ZINC000261950293 535761540 /nfs/dbraw/zinc/76/15/40/535761540.db2.gz PLQUVUWWIXWVCH-JTQLQIEISA-N 2 1 227.308 -0.957 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH2+]C2)C1 ZINC000261950295 135265256 /nfs/dbraw/zinc/26/52/56/135265256.db2.gz PLQUVUWWIXWVCH-SNVBAGLBSA-N 2 1 227.308 -0.957 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH2+]C2)C1 ZINC000261950295 135265254 /nfs/dbraw/zinc/26/52/54/135265254.db2.gz PLQUVUWWIXWVCH-SNVBAGLBSA-N 2 1 227.308 -0.957 20 0 BBADMP CNC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261973580 135268331 /nfs/dbraw/zinc/26/83/31/135268331.db2.gz QOXHDLCUHNWLFV-GHMZBOCLSA-N 2 1 240.351 -0.011 20 0 BBADMP CNC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261973580 135268329 /nfs/dbraw/zinc/26/83/29/135268329.db2.gz QOXHDLCUHNWLFV-GHMZBOCLSA-N 2 1 240.351 -0.011 20 0 BBADMP CNC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261973584 135267949 /nfs/dbraw/zinc/26/79/49/135267949.db2.gz QOXHDLCUHNWLFV-MNOVXSKESA-N 2 1 240.351 -0.011 20 0 BBADMP CNC(=O)N[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261973584 135267947 /nfs/dbraw/zinc/26/79/47/135267947.db2.gz QOXHDLCUHNWLFV-MNOVXSKESA-N 2 1 240.351 -0.011 20 0 BBADMP CNC(=O)N[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261973587 135267901 /nfs/dbraw/zinc/26/79/01/135267901.db2.gz QOXHDLCUHNWLFV-QWRGUYRKSA-N 2 1 240.351 -0.011 20 0 BBADMP CNC(=O)N[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261973587 135267899 /nfs/dbraw/zinc/26/78/99/135267899.db2.gz QOXHDLCUHNWLFV-QWRGUYRKSA-N 2 1 240.351 -0.011 20 0 BBADMP CNC(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261973589 135267914 /nfs/dbraw/zinc/26/79/14/135267914.db2.gz QOXHDLCUHNWLFV-WDEREUQCSA-N 2 1 240.351 -0.011 20 0 BBADMP CNC(=O)N[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261973589 135267912 /nfs/dbraw/zinc/26/79/12/135267912.db2.gz QOXHDLCUHNWLFV-WDEREUQCSA-N 2 1 240.351 -0.011 20 0 BBADMP C[C@@]1(C[N@H+]2CC[C@H](NC(N)=O)C2)CC[NH2+]C1 ZINC000261990417 135269557 /nfs/dbraw/zinc/26/95/57/135269557.db2.gz KENFITYMFXPZCI-GXSJLCMTSA-N 2 1 226.324 -0.271 20 0 BBADMP C[C@@]1(C[N@@H+]2CC[C@H](NC(N)=O)C2)CC[NH2+]C1 ZINC000261990417 135269556 /nfs/dbraw/zinc/26/95/56/135269556.db2.gz KENFITYMFXPZCI-GXSJLCMTSA-N 2 1 226.324 -0.271 20 0 BBADMP C[C@]1(C[N@H+]2CC[C@@H](NC(N)=O)C2)CC[NH2+]C1 ZINC000261990420 135269684 /nfs/dbraw/zinc/26/96/84/135269684.db2.gz KENFITYMFXPZCI-KOLCDFICSA-N 2 1 226.324 -0.271 20 0 BBADMP C[C@]1(C[N@@H+]2CC[C@@H](NC(N)=O)C2)CC[NH2+]C1 ZINC000261990420 135269683 /nfs/dbraw/zinc/26/96/83/135269683.db2.gz KENFITYMFXPZCI-KOLCDFICSA-N 2 1 226.324 -0.271 20 0 BBADMP C[C@@]1(C[N@H+]2CC[C@@H](NC(N)=O)C2)CC[NH2+]C1 ZINC000261990421 135269455 /nfs/dbraw/zinc/26/94/55/135269455.db2.gz KENFITYMFXPZCI-MWLCHTKSSA-N 2 1 226.324 -0.271 20 0 BBADMP C[C@@]1(C[N@@H+]2CC[C@@H](NC(N)=O)C2)CC[NH2+]C1 ZINC000261990421 135269454 /nfs/dbraw/zinc/26/94/54/135269454.db2.gz KENFITYMFXPZCI-MWLCHTKSSA-N 2 1 226.324 -0.271 20 0 BBADMP C[C@]1(C[N@H+]2CC[C@H](NC(N)=O)C2)CC[NH2+]C1 ZINC000261990424 135269579 /nfs/dbraw/zinc/26/95/79/135269579.db2.gz KENFITYMFXPZCI-ONGXEEELSA-N 2 1 226.324 -0.271 20 0 BBADMP C[C@]1(C[N@@H+]2CC[C@H](NC(N)=O)C2)CC[NH2+]C1 ZINC000261990424 135269578 /nfs/dbraw/zinc/26/95/78/135269578.db2.gz KENFITYMFXPZCI-ONGXEEELSA-N 2 1 226.324 -0.271 20 0 BBADMP O=C(CC[N@H+](CCO)C1CC1)N1CC[NH2+]CC1 ZINC000261996601 135270374 /nfs/dbraw/zinc/27/03/74/135270374.db2.gz DDTBXWLFETUUCA-UHFFFAOYSA-N 2 1 241.335 -0.735 20 0 BBADMP NS(=O)(=O)[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261997115 135270230 /nfs/dbraw/zinc/27/02/30/135270230.db2.gz SZFJFUIHQHUCPR-JTQLQIEISA-N 2 1 247.364 -0.651 20 0 BBADMP NS(=O)(=O)[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261997117 135270359 /nfs/dbraw/zinc/27/03/59/135270359.db2.gz SZFJFUIHQHUCPR-SNVBAGLBSA-N 2 1 247.364 -0.651 20 0 BBADMP C[N@@H+](CC(C)(CO)CO)C[C@]1(C)CC[NH2+]C1 ZINC000262038050 135275279 /nfs/dbraw/zinc/27/52/79/135275279.db2.gz OUMPSQYMAAFEJN-LLVKDONJSA-N 2 1 230.352 -0.091 20 0 BBADMP C[N@H+](CC(C)(CO)CO)C[C@]1(C)CC[NH2+]C1 ZINC000262038050 135275277 /nfs/dbraw/zinc/27/52/77/135275277.db2.gz OUMPSQYMAAFEJN-LLVKDONJSA-N 2 1 230.352 -0.091 20 0 BBADMP C[N@@H+](CC(C)(CO)CO)C[C@@]1(C)CC[NH2+]C1 ZINC000262038051 135275131 /nfs/dbraw/zinc/27/51/31/135275131.db2.gz OUMPSQYMAAFEJN-NSHDSACASA-N 2 1 230.352 -0.091 20 0 BBADMP C[N@H+](CC(C)(CO)CO)C[C@@]1(C)CC[NH2+]C1 ZINC000262038051 135275129 /nfs/dbraw/zinc/27/51/29/135275129.db2.gz OUMPSQYMAAFEJN-NSHDSACASA-N 2 1 230.352 -0.091 20 0 BBADMP COC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000262051388 135275565 /nfs/dbraw/zinc/27/55/65/135275565.db2.gz MOUYMRYYDZKYPP-DCAQKATOSA-N 2 1 241.335 -0.487 20 0 BBADMP COC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000262051390 135275595 /nfs/dbraw/zinc/27/55/95/135275595.db2.gz MOUYMRYYDZKYPP-GARJFASQSA-N 2 1 241.335 -0.487 20 0 BBADMP COC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000262051393 135276166 /nfs/dbraw/zinc/27/61/66/135276166.db2.gz MOUYMRYYDZKYPP-OUAUKWLOSA-N 2 1 241.335 -0.487 20 0 BBADMP COC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000262051398 135276115 /nfs/dbraw/zinc/27/61/15/135276115.db2.gz MOUYMRYYDZKYPP-VWYCJHECSA-N 2 1 241.335 -0.487 20 0 BBADMP COCC[N@@H+](C)CCCNC(=O)C1([NH3+])CC1 ZINC000262112055 135279912 /nfs/dbraw/zinc/27/99/12/135279912.db2.gz HJBGYWWOWIVLTR-UHFFFAOYSA-N 2 1 229.324 -0.438 20 0 BBADMP NC(=O)[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000262148141 135282042 /nfs/dbraw/zinc/28/20/42/135282042.db2.gz FRJAAJACFHJEPC-JTQLQIEISA-N 2 1 227.308 -0.828 20 0 BBADMP NC(=O)[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000262148145 135282468 /nfs/dbraw/zinc/28/24/68/135282468.db2.gz FRJAAJACFHJEPC-SNVBAGLBSA-N 2 1 227.308 -0.828 20 0 BBADMP CCOCC[NH+]1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000262153193 135281924 /nfs/dbraw/zinc/28/19/24/135281924.db2.gz AECQDLNDBABUEC-UHFFFAOYSA-N 2 1 241.335 -0.614 20 0 BBADMP Cn1nnnc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000262155803 135282064 /nfs/dbraw/zinc/28/20/64/135282064.db2.gz GJECZWZAVMBYNV-UHFFFAOYSA-N 2 1 224.312 -0.359 20 0 BBADMP Cn1nnnc1C[N@H+](C)CC1CC[NH2+]CC1 ZINC000262155803 135282062 /nfs/dbraw/zinc/28/20/62/135282062.db2.gz GJECZWZAVMBYNV-UHFFFAOYSA-N 2 1 224.312 -0.359 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000262185048 536557341 /nfs/dbraw/zinc/55/73/41/536557341.db2.gz JEBHXJWDOQIQDG-LLVKDONJSA-N 2 1 241.335 -0.343 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000262185050 135284785 /nfs/dbraw/zinc/28/47/85/135284785.db2.gz JEBHXJWDOQIQDG-NSHDSACASA-N 2 1 241.335 -0.343 20 0 BBADMP COCC[N@H+]1CCN(C(=O)C2C[NH2+]C2)C[C@@H]1C ZINC000262198858 135285668 /nfs/dbraw/zinc/28/56/68/135285668.db2.gz HBXXMVSMPAUJSF-JTQLQIEISA-N 2 1 241.335 -0.615 20 0 BBADMP COCC[N@@H+]1CCN(C(=O)C2C[NH2+]C2)C[C@@H]1C ZINC000262198858 135285667 /nfs/dbraw/zinc/28/56/67/135285667.db2.gz HBXXMVSMPAUJSF-JTQLQIEISA-N 2 1 241.335 -0.615 20 0 BBADMP COCC[N@H+]1CCN(C(=O)C2C[NH2+]C2)C[C@H]1C ZINC000262198860 135285193 /nfs/dbraw/zinc/28/51/93/135285193.db2.gz HBXXMVSMPAUJSF-SNVBAGLBSA-N 2 1 241.335 -0.615 20 0 BBADMP COCC[N@@H+]1CCN(C(=O)C2C[NH2+]C2)C[C@H]1C ZINC000262198860 135285192 /nfs/dbraw/zinc/28/51/92/135285192.db2.gz HBXXMVSMPAUJSF-SNVBAGLBSA-N 2 1 241.335 -0.615 20 0 BBADMP CC[N@@H+](C)CCNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262204171 135289901 /nfs/dbraw/zinc/28/99/01/135289901.db2.gz IIUMAJUNNLEFOV-ZJUUUORDSA-N 2 1 229.324 -0.569 20 0 BBADMP CC[N@H+](C)CCNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262204171 135289899 /nfs/dbraw/zinc/28/98/99/135289899.db2.gz IIUMAJUNNLEFOV-ZJUUUORDSA-N 2 1 229.324 -0.569 20 0 BBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C2C[NH2+]C2)C[C@H]1C ZINC000262227859 135286360 /nfs/dbraw/zinc/28/63/60/135286360.db2.gz LQFZJKDTDZQGIB-NXEZZACHSA-N 2 1 241.335 -0.881 20 0 BBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C2C[NH2+]C2)C[C@H]1C ZINC000262227859 135286359 /nfs/dbraw/zinc/28/63/59/135286359.db2.gz LQFZJKDTDZQGIB-NXEZZACHSA-N 2 1 241.335 -0.881 20 0 BBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C2C[NH2+]C2)C[C@@H]1C ZINC000262227862 135286147 /nfs/dbraw/zinc/28/61/47/135286147.db2.gz LQFZJKDTDZQGIB-UWVGGRQHSA-N 2 1 241.335 -0.881 20 0 BBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C2C[NH2+]C2)C[C@@H]1C ZINC000262227862 135286145 /nfs/dbraw/zinc/28/61/45/135286145.db2.gz LQFZJKDTDZQGIB-UWVGGRQHSA-N 2 1 241.335 -0.881 20 0 BBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C2C[NH2+]C2)C[C@@H]1C ZINC000262227866 135286038 /nfs/dbraw/zinc/28/60/38/135286038.db2.gz LQFZJKDTDZQGIB-VHSXEESVSA-N 2 1 241.335 -0.881 20 0 BBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C2C[NH2+]C2)C[C@@H]1C ZINC000262227866 135286036 /nfs/dbraw/zinc/28/60/36/135286036.db2.gz LQFZJKDTDZQGIB-VHSXEESVSA-N 2 1 241.335 -0.881 20 0 BBADMP C[C@H](O)C[N@H+]1CCN(C(=O)C2C[NH2+]C2)C[C@H]1C ZINC000262227869 135286111 /nfs/dbraw/zinc/28/61/11/135286111.db2.gz LQFZJKDTDZQGIB-ZJUUUORDSA-N 2 1 241.335 -0.881 20 0 BBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C2C[NH2+]C2)C[C@H]1C ZINC000262227869 135286110 /nfs/dbraw/zinc/28/61/10/135286110.db2.gz LQFZJKDTDZQGIB-ZJUUUORDSA-N 2 1 241.335 -0.881 20 0 BBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000262256945 135288210 /nfs/dbraw/zinc/28/82/10/135288210.db2.gz LXJFVMHGDWJHJM-MXWKQRLJSA-N 2 1 241.335 -0.378 20 0 BBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000262270920 135289007 /nfs/dbraw/zinc/28/90/07/135289007.db2.gz MXLCYZXAGPFWNF-VLEAKVRGSA-N 2 1 241.335 -0.380 20 0 BBADMP C[NH2+]CCC(=O)N1CC[NH+](CCOC)CC1 ZINC000262303911 135292511 /nfs/dbraw/zinc/29/25/11/135292511.db2.gz BBTRYJMKOJGAQS-UHFFFAOYSA-N 2 1 229.324 -0.614 20 0 BBADMP C[NH2+]CCC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000262317699 135293042 /nfs/dbraw/zinc/29/30/42/135293042.db2.gz DSXNRFVVGJVNBJ-UHFFFAOYSA-N 2 1 239.323 -0.288 20 0 BBADMP CCOCC[NH+]1CCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000262376972 256709966 /nfs/dbraw/zinc/70/99/66/256709966.db2.gz MJQFSKPTMXZKQB-LLVKDONJSA-N 2 1 243.351 -0.238 20 0 BBADMP CCOCC[NH+]1CCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000262376975 135297386 /nfs/dbraw/zinc/29/73/86/135297386.db2.gz MJQFSKPTMXZKQB-NSHDSACASA-N 2 1 243.351 -0.238 20 0 BBADMP CC[N@@H+](CCO)CCNC1=[NH+]CCCN1 ZINC000262394499 135299002 /nfs/dbraw/zinc/29/90/02/135299002.db2.gz MSPWJUIDJSYZFZ-UHFFFAOYSA-N 2 1 214.313 -0.761 20 0 BBADMP CC[N@H+](CCO)CCNC1=[NH+]CCCN1 ZINC000262394499 135299001 /nfs/dbraw/zinc/29/90/01/135299001.db2.gz MSPWJUIDJSYZFZ-UHFFFAOYSA-N 2 1 214.313 -0.761 20 0 BBADMP C[NH2+]CCC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000262396001 536444555 /nfs/dbraw/zinc/44/45/55/536444555.db2.gz OWBHZKOVBWBUNZ-GHMZBOCLSA-N 2 1 243.351 -0.179 20 0 BBADMP C[NH2+]CCC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000262396002 536444790 /nfs/dbraw/zinc/44/47/90/536444790.db2.gz OWBHZKOVBWBUNZ-MNOVXSKESA-N 2 1 243.351 -0.179 20 0 BBADMP C[NH2+]CCC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000262396003 135298644 /nfs/dbraw/zinc/29/86/44/135298644.db2.gz OWBHZKOVBWBUNZ-QWRGUYRKSA-N 2 1 243.351 -0.179 20 0 BBADMP C[NH2+]CCC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000262396004 135298822 /nfs/dbraw/zinc/29/88/22/135298822.db2.gz OWBHZKOVBWBUNZ-WDEREUQCSA-N 2 1 243.351 -0.179 20 0 BBADMP CCOCC[NH+]1CCN(C(=O)CC[NH2+]C)CC1 ZINC000262399610 135295454 /nfs/dbraw/zinc/29/54/54/135295454.db2.gz PITVSGISGJGZIH-UHFFFAOYSA-N 2 1 243.351 -0.223 20 0 BBADMP C[C@H](C[NH3+])C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000262412903 135295630 /nfs/dbraw/zinc/29/56/30/135295630.db2.gz QUQCNDJCGBBWQB-MRVPVSSYSA-N 2 1 239.323 -0.303 20 0 BBADMP C[C@@H](C[NH3+])C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000262412904 135295095 /nfs/dbraw/zinc/29/50/95/135295095.db2.gz QUQCNDJCGBBWQB-QMMMGPOBSA-N 2 1 239.323 -0.303 20 0 BBADMP C[NH2+]CCC(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000262421186 135296310 /nfs/dbraw/zinc/29/63/10/135296310.db2.gz RTLQEJPSNYQHMP-LLVKDONJSA-N 2 1 243.351 -0.177 20 0 BBADMP C[NH2+]CCC(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000262421187 135295874 /nfs/dbraw/zinc/29/58/74/135295874.db2.gz RTLQEJPSNYQHMP-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP CC[NH2+][C@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000262426300 135295864 /nfs/dbraw/zinc/29/58/64/135295864.db2.gz CTHQLYUKLMJFSG-GHMZBOCLSA-N 2 1 243.351 -0.179 20 0 BBADMP CC[NH2+][C@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000262426300 135295862 /nfs/dbraw/zinc/29/58/62/135295862.db2.gz CTHQLYUKLMJFSG-GHMZBOCLSA-N 2 1 243.351 -0.179 20 0 BBADMP CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000262426304 135296324 /nfs/dbraw/zinc/29/63/24/135296324.db2.gz CTHQLYUKLMJFSG-MNOVXSKESA-N 2 1 243.351 -0.179 20 0 BBADMP CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000262426304 135296323 /nfs/dbraw/zinc/29/63/23/135296323.db2.gz CTHQLYUKLMJFSG-MNOVXSKESA-N 2 1 243.351 -0.179 20 0 BBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)C[NH3+] ZINC000262431823 135297151 /nfs/dbraw/zinc/29/71/51/135297151.db2.gz TVIDIAUBDKFHTA-GHMZBOCLSA-N 2 1 243.351 -0.192 20 0 BBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)C[NH3+] ZINC000262431826 135297223 /nfs/dbraw/zinc/29/72/23/135297223.db2.gz TVIDIAUBDKFHTA-MNOVXSKESA-N 2 1 243.351 -0.192 20 0 BBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)C[NH3+] ZINC000262431828 135296755 /nfs/dbraw/zinc/29/67/55/135296755.db2.gz TVIDIAUBDKFHTA-QWRGUYRKSA-N 2 1 243.351 -0.192 20 0 BBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)C[NH3+] ZINC000262431830 135297093 /nfs/dbraw/zinc/29/70/93/135297093.db2.gz TVIDIAUBDKFHTA-WDEREUQCSA-N 2 1 243.351 -0.192 20 0 BBADMP C[NH2+]CCC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000262437028 135299506 /nfs/dbraw/zinc/29/95/06/135299506.db2.gz UKSVHTXWHKPIIT-UHFFFAOYSA-N 2 1 243.351 -0.177 20 0 BBADMP C[NH2+]CCC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000262437028 135299505 /nfs/dbraw/zinc/29/95/05/135299505.db2.gz UKSVHTXWHKPIIT-UHFFFAOYSA-N 2 1 243.351 -0.177 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CC[NH2+]CC2)C1 ZINC000262497078 135302554 /nfs/dbraw/zinc/30/25/54/135302554.db2.gz DOBQAPNHTAOYPL-LLVKDONJSA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH2+]CC2)C1 ZINC000262497078 135302552 /nfs/dbraw/zinc/30/25/52/135302552.db2.gz DOBQAPNHTAOYPL-LLVKDONJSA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NC2CC[NH2+]CC2)C1 ZINC000262497081 135302496 /nfs/dbraw/zinc/30/24/96/135302496.db2.gz DOBQAPNHTAOYPL-NSHDSACASA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CC[NH2+]CC2)C1 ZINC000262497081 135302494 /nfs/dbraw/zinc/30/24/94/135302494.db2.gz DOBQAPNHTAOYPL-NSHDSACASA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH3+])C1 ZINC000262550546 135305228 /nfs/dbraw/zinc/30/52/28/135305228.db2.gz XWNWXHHUZGSAQE-DTWKUNHWSA-N 2 1 215.297 -0.830 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH3+])C1 ZINC000262550546 135305226 /nfs/dbraw/zinc/30/52/26/135305226.db2.gz XWNWXHHUZGSAQE-DTWKUNHWSA-N 2 1 215.297 -0.830 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH3+])C1 ZINC000262550548 135305520 /nfs/dbraw/zinc/30/55/20/135305520.db2.gz XWNWXHHUZGSAQE-IUCAKERBSA-N 2 1 215.297 -0.830 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH3+])C1 ZINC000262550548 135305518 /nfs/dbraw/zinc/30/55/18/135305518.db2.gz XWNWXHHUZGSAQE-IUCAKERBSA-N 2 1 215.297 -0.830 20 0 BBADMP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1COCC[NH2+]1 ZINC000262567002 135306526 /nfs/dbraw/zinc/30/65/26/135306526.db2.gz DUGYJGAFJXTINE-IVZWLZJFSA-N 2 1 227.308 -0.782 20 0 BBADMP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1COCC[NH2+]1 ZINC000262567003 135306686 /nfs/dbraw/zinc/30/66/86/135306686.db2.gz DUGYJGAFJXTINE-LPEHRKFASA-N 2 1 227.308 -0.782 20 0 BBADMP COCC[NH+]1CCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000262582599 135307517 /nfs/dbraw/zinc/30/75/17/135307517.db2.gz UUQDSJDEFAYAMJ-JTQLQIEISA-N 2 1 229.324 -0.628 20 0 BBADMP COCC[NH+]1CCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000262582601 135307508 /nfs/dbraw/zinc/30/75/08/135307508.db2.gz UUQDSJDEFAYAMJ-SNVBAGLBSA-N 2 1 229.324 -0.628 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000262585982 135307362 /nfs/dbraw/zinc/30/73/62/135307362.db2.gz OMDWPPUXLHTVBL-GHMZBOCLSA-N 2 1 241.335 -0.439 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000262585982 135307360 /nfs/dbraw/zinc/30/73/60/135307360.db2.gz OMDWPPUXLHTVBL-GHMZBOCLSA-N 2 1 241.335 -0.439 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000262585983 535762847 /nfs/dbraw/zinc/76/28/47/535762847.db2.gz OMDWPPUXLHTVBL-MNOVXSKESA-N 2 1 241.335 -0.439 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000262585983 535762845 /nfs/dbraw/zinc/76/28/45/535762845.db2.gz OMDWPPUXLHTVBL-MNOVXSKESA-N 2 1 241.335 -0.439 20 0 BBADMP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1COCC[NH2+]1 ZINC000262592443 135307191 /nfs/dbraw/zinc/30/71/91/135307191.db2.gz UVPPQFVKQMUEPA-SECBINFHSA-N 2 1 229.324 -0.582 20 0 BBADMP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1COCC[NH2+]1 ZINC000262592444 135306799 /nfs/dbraw/zinc/30/67/99/135306799.db2.gz UVPPQFVKQMUEPA-VIFPVBQESA-N 2 1 229.324 -0.582 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000262613037 135119875 /nfs/dbraw/zinc/11/98/75/135119875.db2.gz YURQAYVBFSEQMA-NXEZZACHSA-N 2 1 229.324 -0.487 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000262613037 135119874 /nfs/dbraw/zinc/11/98/74/135119874.db2.gz YURQAYVBFSEQMA-NXEZZACHSA-N 2 1 229.324 -0.487 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000262613038 135119732 /nfs/dbraw/zinc/11/97/32/135119732.db2.gz YURQAYVBFSEQMA-ZJUUUORDSA-N 2 1 229.324 -0.487 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000262613038 135119731 /nfs/dbraw/zinc/11/97/31/135119731.db2.gz YURQAYVBFSEQMA-ZJUUUORDSA-N 2 1 229.324 -0.487 20 0 BBADMP O=C([C@H]1COCC[NH2+]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262639279 135310536 /nfs/dbraw/zinc/31/05/36/135310536.db2.gz PLCABJDSFHXYPB-OUAUKWLOSA-N 2 1 239.319 -0.672 20 0 BBADMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262639281 135310203 /nfs/dbraw/zinc/31/02/03/135310203.db2.gz PLCABJDSFHXYPB-VWYCJHECSA-N 2 1 239.319 -0.672 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]2C[NH3+])C1 ZINC000262646292 135310840 /nfs/dbraw/zinc/31/08/40/135310840.db2.gz SNYSAWBPSBFFKP-QWRGUYRKSA-N 2 1 241.335 -0.343 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]2C[NH3+])C1 ZINC000262646292 135310838 /nfs/dbraw/zinc/31/08/38/135310838.db2.gz SNYSAWBPSBFFKP-QWRGUYRKSA-N 2 1 241.335 -0.343 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2C[NH3+])C1 ZINC000262646293 135311097 /nfs/dbraw/zinc/31/10/97/135311097.db2.gz SNYSAWBPSBFFKP-WDEREUQCSA-N 2 1 241.335 -0.343 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2C[NH3+])C1 ZINC000262646293 135311095 /nfs/dbraw/zinc/31/10/95/135311095.db2.gz SNYSAWBPSBFFKP-WDEREUQCSA-N 2 1 241.335 -0.343 20 0 BBADMP COCC[N@@H+](C)CCCNC(=O)CCC[NH3+] ZINC000262654075 135310853 /nfs/dbraw/zinc/31/08/53/135310853.db2.gz MCHVFHDNPUCQKK-UHFFFAOYSA-N 2 1 231.340 -0.190 20 0 BBADMP COCC[N@@H+](C)CCCNC(=O)CC[NH3+] ZINC000262659743 135311780 /nfs/dbraw/zinc/31/17/80/135311780.db2.gz NJBLPVHBJSFRGJ-UHFFFAOYSA-N 2 1 217.313 -0.580 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH3+])C1 ZINC000262661072 135312008 /nfs/dbraw/zinc/31/20/08/135312008.db2.gz GLHPCRMEUXWXPH-SECBINFHSA-N 2 1 229.324 -0.439 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH3+])C1 ZINC000262661074 135311632 /nfs/dbraw/zinc/31/16/32/135311632.db2.gz GLHPCRMEUXWXPH-VIFPVBQESA-N 2 1 229.324 -0.439 20 0 BBADMP C[NH2+]C[C@@H](C)C(=O)NCCC[N@@H+](C)CCOC ZINC000262671535 136374720 /nfs/dbraw/zinc/37/47/20/136374720.db2.gz RVLJVUIEGNABFP-LLVKDONJSA-N 2 1 245.367 -0.074 20 0 BBADMP C[NH2+]C[C@H](C)C(=O)NCCC[N@@H+](C)CCOC ZINC000262671536 136374677 /nfs/dbraw/zinc/37/46/77/136374677.db2.gz RVLJVUIEGNABFP-NSHDSACASA-N 2 1 245.367 -0.074 20 0 BBADMP COCC[N@@H+](C)CCCNC(=O)C(C)(C)[NH3+] ZINC000262673256 136374752 /nfs/dbraw/zinc/37/47/52/136374752.db2.gz SRBMMXOJLVOLRD-UHFFFAOYSA-N 2 1 231.340 -0.192 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000262682893 135313181 /nfs/dbraw/zinc/31/31/81/135313181.db2.gz YULBFCOFOTZCFS-GHMZBOCLSA-N 2 1 241.335 -0.567 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000262682895 536877407 /nfs/dbraw/zinc/87/74/07/536877407.db2.gz YULBFCOFOTZCFS-MNOVXSKESA-N 2 1 241.335 -0.567 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000262682896 536876366 /nfs/dbraw/zinc/87/63/66/536876366.db2.gz YULBFCOFOTZCFS-QWRGUYRKSA-N 2 1 241.335 -0.567 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000262682899 135312920 /nfs/dbraw/zinc/31/29/20/135312920.db2.gz YULBFCOFOTZCFS-WDEREUQCSA-N 2 1 241.335 -0.567 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)C[NH3+])C1 ZINC000262761360 349863862 /nfs/dbraw/zinc/86/38/62/349863862.db2.gz JMMNQEIEVFMFGK-NXEZZACHSA-N 2 1 229.324 -0.582 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)C[NH3+])C1 ZINC000262761360 349863858 /nfs/dbraw/zinc/86/38/58/349863858.db2.gz JMMNQEIEVFMFGK-NXEZZACHSA-N 2 1 229.324 -0.582 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)C[NH3+])C1 ZINC000262761362 349864000 /nfs/dbraw/zinc/86/40/00/349864000.db2.gz JMMNQEIEVFMFGK-ZJUUUORDSA-N 2 1 229.324 -0.582 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)C[NH3+])C1 ZINC000262761362 349863997 /nfs/dbraw/zinc/86/39/97/349863997.db2.gz JMMNQEIEVFMFGK-ZJUUUORDSA-N 2 1 229.324 -0.582 20 0 BBADMP C[N@H+]1CC[C@H]2CCN(C(=O)C3C[NH2+]C3)[C@@H]2C1 ZINC000263338657 135348586 /nfs/dbraw/zinc/34/85/86/135348586.db2.gz WYTKXDZLMBLGCT-GXSJLCMTSA-N 2 1 223.320 -0.242 20 0 BBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C3C[NH2+]C3)[C@H]2C1 ZINC000263338667 135347927 /nfs/dbraw/zinc/34/79/27/135347927.db2.gz WYTKXDZLMBLGCT-KOLCDFICSA-N 2 1 223.320 -0.242 20 0 BBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C3C[NH2+]C3)[C@@H]2C1 ZINC000263338677 135348462 /nfs/dbraw/zinc/34/84/62/135348462.db2.gz WYTKXDZLMBLGCT-MWLCHTKSSA-N 2 1 223.320 -0.242 20 0 BBADMP C[N@H+]1CC[C@H]2CCN(C(=O)C3C[NH2+]C3)[C@H]2C1 ZINC000263338688 135348417 /nfs/dbraw/zinc/34/84/17/135348417.db2.gz WYTKXDZLMBLGCT-ONGXEEELSA-N 2 1 223.320 -0.242 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)/C=C/C[NH+](C)C ZINC000265683454 174276269 /nfs/dbraw/zinc/27/62/69/174276269.db2.gz WMQNXWXEGIXZSB-AATRIKPKSA-N 2 1 243.351 -0.201 20 0 BBADMP C[C@@H](C(N)=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000266963071 387581737 /nfs/dbraw/zinc/58/17/37/387581737.db2.gz XJYIUJKEKLRFKY-VIFPVBQESA-N 2 1 237.307 -0.584 20 0 BBADMP C[NH+](C)C/C=C/C(=O)N1CC[NH+](CCO)CC1 ZINC000267942705 172398223 /nfs/dbraw/zinc/39/82/23/172398223.db2.gz JMTPQNRHRYHEDD-ONEGZZNKSA-N 2 1 241.335 -0.759 20 0 BBADMP CC[C@H]([NH3+])C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000269278647 386771599 /nfs/dbraw/zinc/77/15/99/386771599.db2.gz YWNFERUDDHYUFK-VIFPVBQESA-N 2 1 239.323 -0.160 20 0 BBADMP Cc1[nH+]ccn1CC[N@@H+](CCO)CCCO ZINC000270840821 180249635 /nfs/dbraw/zinc/24/96/35/180249635.db2.gz FZARRXHYPHEYTR-UHFFFAOYSA-N 2 1 227.308 -0.132 20 0 BBADMP Cc1[nH+]ccn1CC[N@H+](CCO)CCCO ZINC000270840821 180249632 /nfs/dbraw/zinc/24/96/32/180249632.db2.gz FZARRXHYPHEYTR-UHFFFAOYSA-N 2 1 227.308 -0.132 20 0 BBADMP OCCC[N@@H+](CCO)CCn1ccnc1 ZINC000270907478 491074425 /nfs/dbraw/zinc/07/44/25/491074425.db2.gz SGEUTZKWQHAZKD-UHFFFAOYSA-N 2 1 213.281 -0.440 20 0 BBADMP C[NH+](C)CC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000271877044 385856192 /nfs/dbraw/zinc/85/61/92/385856192.db2.gz ZQDIJWOWEMYMMH-UHFFFAOYSA-N 2 1 211.309 -0.074 20 0 BBADMP OCCC[N@@H+](CCO)CCCn1ccnc1 ZINC000271986894 389027708 /nfs/dbraw/zinc/02/77/08/389027708.db2.gz PGRHQHCNSYACQX-UHFFFAOYSA-N 2 1 227.308 -0.050 20 0 BBADMP CC[N@@H+](CCO)CCNC(=O)/C=C/C[NH+](C)C ZINC000274569978 386120972 /nfs/dbraw/zinc/12/09/72/386120972.db2.gz QTXVWNPWYVCKKE-AATRIKPKSA-N 2 1 243.351 -0.465 20 0 BBADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](O)CO ZINC000276747344 388351187 /nfs/dbraw/zinc/35/11/87/388351187.db2.gz LGUMWDNHWIXUPW-JTQLQIEISA-N 2 1 225.292 -0.410 20 0 BBADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](O)CO ZINC000276747350 388351319 /nfs/dbraw/zinc/35/13/19/388351319.db2.gz LGUMWDNHWIXUPW-SNVBAGLBSA-N 2 1 225.292 -0.410 20 0 BBADMP Cc1[nH+]ccn1CCC[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000278714229 180242643 /nfs/dbraw/zinc/24/26/43/180242643.db2.gz KHRFEXOCMWCXBT-GHMZBOCLSA-N 2 1 225.292 -0.381 20 0 BBADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278714238 180240821 /nfs/dbraw/zinc/24/08/21/180240821.db2.gz KHRFEXOCMWCXBT-PHIMTYICSA-N 2 1 225.292 -0.381 20 0 BBADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278714238 180240819 /nfs/dbraw/zinc/24/08/19/180240819.db2.gz KHRFEXOCMWCXBT-PHIMTYICSA-N 2 1 225.292 -0.381 20 0 BBADMP Cc1[nH+]ccn1CCC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000278714246 180242609 /nfs/dbraw/zinc/24/26/09/180242609.db2.gz KHRFEXOCMWCXBT-QWRGUYRKSA-N 2 1 225.292 -0.381 20 0 BBADMP C[NH+](C)CC(=O)NCC[N@@H+]1CC=CCC1 ZINC000280292233 386800582 /nfs/dbraw/zinc/80/05/82/386800582.db2.gz RHEQDUBFUWGUNI-UHFFFAOYSA-N 2 1 211.309 -0.074 20 0 BBADMP C[NH+](C)CC(=O)NCC[N@H+]1CC=CCC1 ZINC000280292233 386800573 /nfs/dbraw/zinc/80/05/73/386800573.db2.gz RHEQDUBFUWGUNI-UHFFFAOYSA-N 2 1 211.309 -0.074 20 0 BBADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1COC[C@H]1O ZINC000285399927 180251261 /nfs/dbraw/zinc/25/12/61/180251261.db2.gz AXFJFVUIIMNOAC-GHMZBOCLSA-N 2 1 225.292 -0.117 20 0 BBADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000285399927 180251260 /nfs/dbraw/zinc/25/12/60/180251260.db2.gz AXFJFVUIIMNOAC-GHMZBOCLSA-N 2 1 225.292 -0.117 20 0 BBADMP C[N@@H+](CCCn1ccnc1)[C@@H]1COC[C@H]1O ZINC000285666692 385955509 /nfs/dbraw/zinc/95/55/09/385955509.db2.gz UAFCBPNAIQDJJA-GHMZBOCLSA-N 2 1 225.292 -0.035 20 0 BBADMP Cc1[nH+]ccn1CC[N@H+](C)CCC(N)=O ZINC000286436886 180246887 /nfs/dbraw/zinc/24/68/87/180246887.db2.gz LLBIHXJJGQBDDV-UHFFFAOYSA-N 2 1 210.281 -0.001 20 0 BBADMP Cc1[nH+]ccn1CC[N@@H+](C)CCC(N)=O ZINC000286436886 180246886 /nfs/dbraw/zinc/24/68/86/180246886.db2.gz LLBIHXJJGQBDDV-UHFFFAOYSA-N 2 1 210.281 -0.001 20 0 BBADMP Cc1[nH+]ccn1CC[N@H+](CCO)C[C@H](C)O ZINC000289912809 180251317 /nfs/dbraw/zinc/25/13/17/180251317.db2.gz TXBYYKCEXACRJW-JTQLQIEISA-N 2 1 227.308 -0.133 20 0 BBADMP Cc1[nH+]ccn1CC[N@@H+](CCO)C[C@H](C)O ZINC000289912809 180251316 /nfs/dbraw/zinc/25/13/16/180251316.db2.gz TXBYYKCEXACRJW-JTQLQIEISA-N 2 1 227.308 -0.133 20 0 BBADMP Cc1[nH+]ccn1CC[N@H+](CCO)C[C@@H](C)O ZINC000289912811 180251234 /nfs/dbraw/zinc/25/12/34/180251234.db2.gz TXBYYKCEXACRJW-SNVBAGLBSA-N 2 1 227.308 -0.133 20 0 BBADMP Cc1[nH+]ccn1CC[N@@H+](CCO)C[C@@H](C)O ZINC000289912811 180251232 /nfs/dbraw/zinc/25/12/32/180251232.db2.gz TXBYYKCEXACRJW-SNVBAGLBSA-N 2 1 227.308 -0.133 20 0 BBADMP Cc1[nH+]ccn1CC(=O)N1CC([NH+](C)C)C1 ZINC000297542416 180231365 /nfs/dbraw/zinc/23/13/65/180231365.db2.gz MRNQXOAVSHGJMP-UHFFFAOYSA-N 2 1 222.292 -0.036 20 0 BBADMP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300027715 385126187 /nfs/dbraw/zinc/12/61/87/385126187.db2.gz HPQJHSFBBHJNIS-MXWKQRLJSA-N 2 1 243.351 -0.051 20 0 BBADMP CO[C@H](C[NH3+])CC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300027716 385125234 /nfs/dbraw/zinc/12/52/34/385125234.db2.gz HPQJHSFBBHJNIS-VWYCJHECSA-N 2 1 243.351 -0.051 20 0 BBADMP CC[N@H+]1CC[C@H](CNC(=O)C[C@H](C[NH3+])OC)C1 ZINC000300034768 170014903 /nfs/dbraw/zinc/01/49/03/170014903.db2.gz YBPYUPQNJNKRSH-GHMZBOCLSA-N 2 1 243.351 -0.192 20 0 BBADMP CC[N@H+]1CC[C@@H](CNC(=O)C[C@H](C[NH3+])OC)C1 ZINC000300034769 170006422 /nfs/dbraw/zinc/00/64/22/170006422.db2.gz YBPYUPQNJNKRSH-WDEREUQCSA-N 2 1 243.351 -0.192 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000300037893 487499104 /nfs/dbraw/zinc/49/91/04/487499104.db2.gz FPIKCEURZSUDMW-QWRGUYRKSA-N 2 1 241.335 -0.438 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000300037895 487498954 /nfs/dbraw/zinc/49/89/54/487498954.db2.gz FPIKCEURZSUDMW-WDEREUQCSA-N 2 1 241.335 -0.438 20 0 BBADMP CNC(=O)[C@@H](C)C[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000300214506 490108702 /nfs/dbraw/zinc/10/87/02/490108702.db2.gz JZYDROFJKLNWEX-UWVGGRQHSA-N 2 1 213.325 -0.090 20 0 BBADMP CNC(=O)[C@H](C)C[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000300214507 490108725 /nfs/dbraw/zinc/10/87/25/490108725.db2.gz JZYDROFJKLNWEX-ZJUUUORDSA-N 2 1 213.325 -0.090 20 0 BBADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000300333761 173004575 /nfs/dbraw/zinc/00/45/75/173004575.db2.gz SHEBQXFFPDYAKS-IJLUTSLNSA-N 2 1 228.336 -0.102 20 0 BBADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000300333761 173004572 /nfs/dbraw/zinc/00/45/72/173004572.db2.gz SHEBQXFFPDYAKS-IJLUTSLNSA-N 2 1 228.336 -0.102 20 0 BBADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000300333762 173006117 /nfs/dbraw/zinc/00/61/17/173006117.db2.gz SHEBQXFFPDYAKS-WOPDTQHZSA-N 2 1 228.336 -0.102 20 0 BBADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000300333762 173006115 /nfs/dbraw/zinc/00/61/15/173006115.db2.gz SHEBQXFFPDYAKS-WOPDTQHZSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@@]1(C(N)=O)CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000300352870 487509626 /nfs/dbraw/zinc/50/96/26/487509626.db2.gz QPNJYMQIRLFFGN-GXSJLCMTSA-N 2 1 211.309 -0.207 20 0 BBADMP C[C@]1(C(N)=O)CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000300352871 487509552 /nfs/dbraw/zinc/50/95/52/487509552.db2.gz QPNJYMQIRLFFGN-ONGXEEELSA-N 2 1 211.309 -0.207 20 0 BBADMP CO[C@@H](C[NH3+])CC(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000300356655 387199121 /nfs/dbraw/zinc/19/91/21/387199121.db2.gz NKONXZIMSKONTB-NXEZZACHSA-N 2 1 229.324 -0.487 20 0 BBADMP CO[C@@H](C[NH3+])CC(=O)N1CC[N@H+](C)C[C@H]1C ZINC000300356655 387199116 /nfs/dbraw/zinc/19/91/16/387199116.db2.gz NKONXZIMSKONTB-NXEZZACHSA-N 2 1 229.324 -0.487 20 0 BBADMP CO[C@H](C[NH3+])CC(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000300356656 387198746 /nfs/dbraw/zinc/19/87/46/387198746.db2.gz NKONXZIMSKONTB-ZJUUUORDSA-N 2 1 229.324 -0.487 20 0 BBADMP CO[C@H](C[NH3+])CC(=O)N1CC[N@H+](C)C[C@H]1C ZINC000300356656 387198742 /nfs/dbraw/zinc/19/87/42/387198742.db2.gz NKONXZIMSKONTB-ZJUUUORDSA-N 2 1 229.324 -0.487 20 0 BBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]([NH3+])COC ZINC000300366342 384701192 /nfs/dbraw/zinc/70/11/92/384701192.db2.gz CFTAXFMIXAEVFM-NXEZZACHSA-N 2 1 231.340 -0.193 20 0 BBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]([NH3+])COC ZINC000300366343 171305676 /nfs/dbraw/zinc/30/56/76/171305676.db2.gz CFTAXFMIXAEVFM-VHSXEESVSA-N 2 1 231.340 -0.193 20 0 BBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C[NH3+])OC ZINC000300374906 171306810 /nfs/dbraw/zinc/30/68/10/171306810.db2.gz CMBAVNFUZYUTPU-UWVGGRQHSA-N 2 1 231.340 -0.193 20 0 BBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C[NH3+])OC ZINC000300374907 384714442 /nfs/dbraw/zinc/71/44/42/384714442.db2.gz CMBAVNFUZYUTPU-ZJUUUORDSA-N 2 1 231.340 -0.193 20 0 BBADMP COC[C@@H](C[N@H+]1CC[C@H](C[NH3+])C1)OC ZINC000300385348 487511814 /nfs/dbraw/zinc/51/18/14/487511814.db2.gz YIJSJNSUTSHWLB-NXEZZACHSA-N 2 1 202.298 -0.072 20 0 BBADMP COC[C@H](C[N@H+]1CC[C@H](C[NH3+])C1)OC ZINC000300385349 487512010 /nfs/dbraw/zinc/51/20/10/487512010.db2.gz YIJSJNSUTSHWLB-ZJUUUORDSA-N 2 1 202.298 -0.072 20 0 BBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2C)C1 ZINC000300409220 352563089 /nfs/dbraw/zinc/56/30/89/352563089.db2.gz PRDCZWLPUMOBNV-OUAUKWLOSA-N 2 1 241.335 -0.474 20 0 BBADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[N@H+](C)C[C@H]2C)C1 ZINC000300409220 352563085 /nfs/dbraw/zinc/56/30/85/352563085.db2.gz PRDCZWLPUMOBNV-OUAUKWLOSA-N 2 1 241.335 -0.474 20 0 BBADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000300908275 176344465 /nfs/dbraw/zinc/34/44/65/176344465.db2.gz XJNFUDWZWCGJMS-GMTAPVOTSA-N 2 1 216.325 -0.077 20 0 BBADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000300908276 176341344 /nfs/dbraw/zinc/34/13/44/176341344.db2.gz XJNFUDWZWCGJMS-MXWKQRLJSA-N 2 1 216.325 -0.077 20 0 BBADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000300908277 176344504 /nfs/dbraw/zinc/34/45/04/176344504.db2.gz XJNFUDWZWCGJMS-OUAUKWLOSA-N 2 1 216.325 -0.077 20 0 BBADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000300908278 176340918 /nfs/dbraw/zinc/34/09/18/176340918.db2.gz XJNFUDWZWCGJMS-VWYCJHECSA-N 2 1 216.325 -0.077 20 0 BBADMP CN1CC[C@@H]([N@@H+](C)CCOCC[NH3+])C1=O ZINC000300939320 411128601 /nfs/dbraw/zinc/12/86/01/411128601.db2.gz DCYGPDRZJBVARU-SECBINFHSA-N 2 1 215.297 -0.876 20 0 BBADMP CN1CC[C@H]([N@@H+](C)CCOCC[NH3+])C1=O ZINC000300939321 411128561 /nfs/dbraw/zinc/12/85/61/411128561.db2.gz DCYGPDRZJBVARU-VIFPVBQESA-N 2 1 215.297 -0.876 20 0 BBADMP CCCCNC(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000300945923 388394480 /nfs/dbraw/zinc/39/44/80/388394480.db2.gz FHCZLJKYLHODNA-UHFFFAOYSA-N 2 1 231.340 -0.190 20 0 BBADMP CCCCNC(=O)C[N@H+](C)CCOCC[NH3+] ZINC000300945923 388394479 /nfs/dbraw/zinc/39/44/79/388394479.db2.gz FHCZLJKYLHODNA-UHFFFAOYSA-N 2 1 231.340 -0.190 20 0 BBADMP C[N@@H+](CCCS(C)(=O)=O)CCOCC[NH3+] ZINC000301012027 383840716 /nfs/dbraw/zinc/84/07/16/383840716.db2.gz GKXPNBUAXCBZNH-UHFFFAOYSA-N 2 1 238.353 -0.672 20 0 BBADMP C[N@H+](CCCS(C)(=O)=O)CCOCC[NH3+] ZINC000301012027 383840705 /nfs/dbraw/zinc/84/07/05/383840705.db2.gz GKXPNBUAXCBZNH-UHFFFAOYSA-N 2 1 238.353 -0.672 20 0 BBADMP CNC(=O)CCC[N@@H+](C)CCOCC[NH3+] ZINC000301014270 349515957 /nfs/dbraw/zinc/51/59/57/349515957.db2.gz HNCZLUUYRLBPKQ-UHFFFAOYSA-N 2 1 217.313 -0.580 20 0 BBADMP C[N@@H+](CCOCC[NH3+])CC(=O)NC(C)(C)C ZINC000301016065 385228081 /nfs/dbraw/zinc/22/80/81/385228081.db2.gz IGBIDDXCOVGHSA-UHFFFAOYSA-N 2 1 231.340 -0.192 20 0 BBADMP C[N@H+](CCOCC[NH3+])CC(=O)NC(C)(C)C ZINC000301016065 385228077 /nfs/dbraw/zinc/22/80/77/385228077.db2.gz IGBIDDXCOVGHSA-UHFFFAOYSA-N 2 1 231.340 -0.192 20 0 BBADMP C[N@@H+](CCOCC[NH3+])CC(=O)NCC1CC1 ZINC000301018870 383826509 /nfs/dbraw/zinc/82/65/09/383826509.db2.gz JBJRPDHTUKOLSP-UHFFFAOYSA-N 2 1 229.324 -0.580 20 0 BBADMP C[N@H+](CCOCC[NH3+])CC(=O)NCC1CC1 ZINC000301018870 383826506 /nfs/dbraw/zinc/82/65/06/383826506.db2.gz JBJRPDHTUKOLSP-UHFFFAOYSA-N 2 1 229.324 -0.580 20 0 BBADMP CN(C(=O)C[N@@H+](C)CCOCC[NH3+])C1CC1 ZINC000301019659 383827592 /nfs/dbraw/zinc/82/75/92/383827592.db2.gz JLXBDMOYPWYHTQ-UHFFFAOYSA-N 2 1 229.324 -0.486 20 0 BBADMP CN(C(=O)C[N@H+](C)CCOCC[NH3+])C1CC1 ZINC000301019659 383827588 /nfs/dbraw/zinc/82/75/88/383827588.db2.gz JLXBDMOYPWYHTQ-UHFFFAOYSA-N 2 1 229.324 -0.486 20 0 BBADMP Cn1nccc1CC[N@@H+](C)CCOCC[NH3+] ZINC000301047204 386642990 /nfs/dbraw/zinc/64/29/90/386642990.db2.gz PHTTTXVBHLTLIA-UHFFFAOYSA-N 2 1 226.324 -0.130 20 0 BBADMP CCCNC(=O)[C@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000301048172 383877254 /nfs/dbraw/zinc/87/72/54/383877254.db2.gz QGFWGZJCYQEEJF-JTQLQIEISA-N 2 1 231.340 -0.192 20 0 BBADMP CCCNC(=O)[C@@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000301048173 383877670 /nfs/dbraw/zinc/87/76/70/383877670.db2.gz QGFWGZJCYQEEJF-SNVBAGLBSA-N 2 1 231.340 -0.192 20 0 BBADMP CN(C)C(=O)CC[N@@H+](C)CCOCC[NH3+] ZINC000301048191 490574089 /nfs/dbraw/zinc/57/40/89/490574089.db2.gz QHHYHSZDZYREDA-UHFFFAOYSA-N 2 1 217.313 -0.628 20 0 BBADMP CC[C@H](C)NC(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000301049888 383878207 /nfs/dbraw/zinc/87/82/07/383878207.db2.gz SAQTZACUIKNSLH-JTQLQIEISA-N 2 1 231.340 -0.192 20 0 BBADMP CC[C@H](C)NC(=O)C[N@H+](C)CCOCC[NH3+] ZINC000301049888 383878199 /nfs/dbraw/zinc/87/81/99/383878199.db2.gz SAQTZACUIKNSLH-JTQLQIEISA-N 2 1 231.340 -0.192 20 0 BBADMP CC[C@@H](C)NC(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000301049890 383878369 /nfs/dbraw/zinc/87/83/69/383878369.db2.gz SAQTZACUIKNSLH-SNVBAGLBSA-N 2 1 231.340 -0.192 20 0 BBADMP CC[C@@H](C)NC(=O)C[N@H+](C)CCOCC[NH3+] ZINC000301049890 383878365 /nfs/dbraw/zinc/87/83/65/383878365.db2.gz SAQTZACUIKNSLH-SNVBAGLBSA-N 2 1 231.340 -0.192 20 0 BBADMP C[N@@H+](CCOCC[NH3+])CCN1CCOCC1 ZINC000301050980 352586593 /nfs/dbraw/zinc/58/65/93/352586593.db2.gz SZPXSDXTTFKQGU-UHFFFAOYSA-N 2 1 231.340 -0.774 20 0 BBADMP Cn1cc(CC[N@@H+](C)CCOCC[NH3+])cn1 ZINC000301051004 383880339 /nfs/dbraw/zinc/88/03/39/383880339.db2.gz TUQVQSSOXCQRTI-UHFFFAOYSA-N 2 1 226.324 -0.130 20 0 BBADMP C[N@@H+](CCOCC[NH3+])[C@H]1CCCCNC1=O ZINC000301052390 592527762 /nfs/dbraw/zinc/52/77/62/592527762.db2.gz WCDKFEPRVLEEHR-JTQLQIEISA-N 2 1 229.324 -0.438 20 0 BBADMP C[N@@H+](CCOCC[NH3+])[C@@H]1CCCCNC1=O ZINC000301052391 592527731 /nfs/dbraw/zinc/52/77/31/592527731.db2.gz WCDKFEPRVLEEHR-SNVBAGLBSA-N 2 1 229.324 -0.438 20 0 BBADMP C[C@H](C(=O)NC1CC1)[N@@H+](C)CCOCC[NH3+] ZINC000301052846 383880473 /nfs/dbraw/zinc/88/04/73/383880473.db2.gz WYMUYZFBAOHCPJ-SECBINFHSA-N 2 1 229.324 -0.439 20 0 BBADMP C[C@@H](C(=O)NC1CC1)[N@@H+](C)CCOCC[NH3+] ZINC000301052847 383881513 /nfs/dbraw/zinc/88/15/13/383881513.db2.gz WYMUYZFBAOHCPJ-VIFPVBQESA-N 2 1 229.324 -0.439 20 0 BBADMP CC[C@H](C(N)=O)[N@@H+](C)CCOCC[NH3+] ZINC000301053237 383881557 /nfs/dbraw/zinc/88/15/57/383881557.db2.gz XUPNMURZAAIMCS-MRVPVSSYSA-N 2 1 203.286 -0.843 20 0 BBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCOCC[NH3+] ZINC000301053238 383881268 /nfs/dbraw/zinc/88/12/68/383881268.db2.gz XUPNMURZAAIMCS-QMMMGPOBSA-N 2 1 203.286 -0.843 20 0 BBADMP C[NH+](C)C1CN(c2cc[nH+]cc2C(N)=O)C1 ZINC000302135485 386907375 /nfs/dbraw/zinc/90/73/75/386907375.db2.gz DNICPRNUVZLZJA-UHFFFAOYSA-N 2 1 220.276 -0.069 20 0 BBADMP C[N@@H+](CCOCC[NH3+])CC(=O)N1CCCCC1 ZINC000302411973 384168747 /nfs/dbraw/zinc/16/87/47/384168747.db2.gz PYEPLLKCHJIWFN-UHFFFAOYSA-N 2 1 243.351 -0.094 20 0 BBADMP C[N@H+](CCOCC[NH3+])CC(=O)N1CCCCC1 ZINC000302411973 384168741 /nfs/dbraw/zinc/16/87/41/384168741.db2.gz PYEPLLKCHJIWFN-UHFFFAOYSA-N 2 1 243.351 -0.094 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000303974646 350136608 /nfs/dbraw/zinc/13/66/08/350136608.db2.gz AYKIVOZWPNXJMT-LLVKDONJSA-N 2 1 215.341 -0.454 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](C)CC1 ZINC000303974648 350136015 /nfs/dbraw/zinc/13/60/15/350136015.db2.gz AYKIVOZWPNXJMT-NSHDSACASA-N 2 1 215.341 -0.454 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000303995407 488047709 /nfs/dbraw/zinc/04/77/09/488047709.db2.gz OWGUIBSTEHMABS-GFCCVEGCSA-N 2 1 245.367 -0.827 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](C)CC1 ZINC000303995410 488047327 /nfs/dbraw/zinc/04/73/27/488047327.db2.gz OWGUIBSTEHMABS-LBPRGKRZSA-N 2 1 245.367 -0.827 20 0 BBADMP C[N@@H+](CCCO)CCCN1CC[NH+](C)CC1 ZINC000304429282 387477968 /nfs/dbraw/zinc/47/79/68/387477968.db2.gz MKLCMVHOSFSZRR-UHFFFAOYSA-N 2 1 229.368 -0.062 20 0 BBADMP CC[NH+]1CCN(c2nc(C)nc(N)n2)CC1 ZINC000304456137 398336480 /nfs/dbraw/zinc/33/64/80/398336480.db2.gz LFGZYZHIKSOTDA-UHFFFAOYSA-N 2 1 222.296 -0.096 20 0 BBADMP CN1CC[NH+]=C1NCCC[NH+]1CCOCC1 ZINC000304483390 644910578 /nfs/dbraw/zinc/91/05/78/644910578.db2.gz CAPLOIKQCWSKMH-UHFFFAOYSA-N 2 1 226.324 -0.400 20 0 BBADMP CN1CC[C@H]([N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000304499978 173149755 /nfs/dbraw/zinc/14/97/55/173149755.db2.gz CMOXMSRSECFGQQ-CMPLNLGQSA-N 2 1 223.320 -0.098 20 0 BBADMP CN1CC[C@H]([N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000304499978 173149754 /nfs/dbraw/zinc/14/97/54/173149754.db2.gz CMOXMSRSECFGQQ-CMPLNLGQSA-N 2 1 223.320 -0.098 20 0 BBADMP CN1CC[C@H]([N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000304499984 173150260 /nfs/dbraw/zinc/15/02/60/173150260.db2.gz CMOXMSRSECFGQQ-JQWIXIFHSA-N 2 1 223.320 -0.098 20 0 BBADMP CN1CC[C@H]([N@@H+]2CC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000304499984 173150257 /nfs/dbraw/zinc/15/02/57/173150257.db2.gz CMOXMSRSECFGQQ-JQWIXIFHSA-N 2 1 223.320 -0.098 20 0 BBADMP CN1CC[C@@H]([N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000304499991 173119059 /nfs/dbraw/zinc/11/90/59/173119059.db2.gz CMOXMSRSECFGQQ-PWSUYJOCSA-N 2 1 223.320 -0.098 20 0 BBADMP CN1CC[C@@H]([N@@H+]2CC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000304499991 173119058 /nfs/dbraw/zinc/11/90/58/173119058.db2.gz CMOXMSRSECFGQQ-PWSUYJOCSA-N 2 1 223.320 -0.098 20 0 BBADMP CN1CC[C@@H]([N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000304499998 173119948 /nfs/dbraw/zinc/11/99/48/173119948.db2.gz CMOXMSRSECFGQQ-ZYHUDNBSSA-N 2 1 223.320 -0.098 20 0 BBADMP CN1CC[C@@H]([N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000304499998 173119947 /nfs/dbraw/zinc/11/99/47/173119947.db2.gz CMOXMSRSECFGQQ-ZYHUDNBSSA-N 2 1 223.320 -0.098 20 0 BBADMP C[C@H]1C[NH+]=C(NCCC[NH+]2CCOCC2)N1 ZINC000304527181 644914239 /nfs/dbraw/zinc/91/42/39/644914239.db2.gz IBJFVWLUBZRNDY-JTQLQIEISA-N 2 1 226.324 -0.354 20 0 BBADMP C[C@@H]1C[NH+]=C(NCCC[NH+]2CCOCC2)N1 ZINC000304527183 644913006 /nfs/dbraw/zinc/91/30/06/644913006.db2.gz IBJFVWLUBZRNDY-SNVBAGLBSA-N 2 1 226.324 -0.354 20 0 BBADMP CC[C@H](O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000304534434 644915067 /nfs/dbraw/zinc/91/50/67/644915067.db2.gz HMNOHXIUBFVTSN-NEPJUHHUSA-N 2 1 227.352 -0.263 20 0 BBADMP CC[C@H](O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000304534443 643124738 /nfs/dbraw/zinc/12/47/38/643124738.db2.gz HMNOHXIUBFVTSN-RYUDHWBXSA-N 2 1 227.352 -0.263 20 0 BBADMP CN(CC[N@@H+](C)CCO)C1CC[NH+](C)CC1 ZINC000304775029 387510843 /nfs/dbraw/zinc/51/08/43/387510843.db2.gz GOKFVIIXKFEYRA-UHFFFAOYSA-N 2 1 229.368 -0.064 20 0 BBADMP O[C@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000305240685 323015115 /nfs/dbraw/zinc/01/51/15/323015115.db2.gz AJJAQBHGRATKLO-RYUDHWBXSA-N 2 1 228.336 -0.100 20 0 BBADMP O[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](O)C2)C1 ZINC000305240686 323015091 /nfs/dbraw/zinc/01/50/91/323015091.db2.gz AJJAQBHGRATKLO-TXEJJXNPSA-N 2 1 228.336 -0.100 20 0 BBADMP O[C@@H]1CC[N@@H+](CCCC[NH+]2CC[C@H](O)C2)C1 ZINC000305240686 323015090 /nfs/dbraw/zinc/01/50/90/323015090.db2.gz AJJAQBHGRATKLO-TXEJJXNPSA-N 2 1 228.336 -0.100 20 0 BBADMP O[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000305240686 323015089 /nfs/dbraw/zinc/01/50/89/323015089.db2.gz AJJAQBHGRATKLO-TXEJJXNPSA-N 2 1 228.336 -0.100 20 0 BBADMP O[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000305240687 323015152 /nfs/dbraw/zinc/01/51/52/323015152.db2.gz AJJAQBHGRATKLO-VXGBXAGGSA-N 2 1 228.336 -0.100 20 0 BBADMP C[C@H](CC[NH+]1CC[C@H](O)C1)[N@H+]1CC[C@@H](O)C1 ZINC000305243133 490272519 /nfs/dbraw/zinc/27/25/19/490272519.db2.gz CVXVPHAEPDCTJL-GRYCIOLGSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@H](CC[NH+]1CC[C@H](O)C1)[N@@H+]1CC[C@@H](O)C1 ZINC000305243133 490272510 /nfs/dbraw/zinc/27/25/10/490272510.db2.gz CVXVPHAEPDCTJL-GRYCIOLGSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@H](CC[N@H+]1CC[C@H](O)C1)[NH+]1CC[C@@H](O)C1 ZINC000305243133 490272502 /nfs/dbraw/zinc/27/25/02/490272502.db2.gz CVXVPHAEPDCTJL-GRYCIOLGSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@H](CC[NH+]1CC[C@@H](O)C1)[N@H+]1CC[C@@H](O)C1 ZINC000305243135 490452310 /nfs/dbraw/zinc/45/23/10/490452310.db2.gz CVXVPHAEPDCTJL-IJLUTSLNSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@H](CC[NH+]1CC[C@@H](O)C1)[N@@H+]1CC[C@@H](O)C1 ZINC000305243135 490452304 /nfs/dbraw/zinc/45/23/04/490452304.db2.gz CVXVPHAEPDCTJL-IJLUTSLNSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@H](CC[N@H+]1CC[C@@H](O)C1)[NH+]1CC[C@@H](O)C1 ZINC000305243135 490452296 /nfs/dbraw/zinc/45/22/96/490452296.db2.gz CVXVPHAEPDCTJL-IJLUTSLNSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@H](CC[NH+]1CC[C@@H](O)C1)[N@H+]1CC[C@H](O)C1 ZINC000305243137 490452107 /nfs/dbraw/zinc/45/21/07/490452107.db2.gz CVXVPHAEPDCTJL-UTUOFQBUSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@H](CC[NH+]1CC[C@@H](O)C1)[N@@H+]1CC[C@H](O)C1 ZINC000305243137 490452102 /nfs/dbraw/zinc/45/21/02/490452102.db2.gz CVXVPHAEPDCTJL-UTUOFQBUSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@H](CC[N@H+]1CC[C@@H](O)C1)[NH+]1CC[C@H](O)C1 ZINC000305243137 490452097 /nfs/dbraw/zinc/45/20/97/490452097.db2.gz CVXVPHAEPDCTJL-UTUOFQBUSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@H](CC[NH+]1CC[C@H](O)C1)[N@H+]1CC[C@H](O)C1 ZINC000305243138 490452177 /nfs/dbraw/zinc/45/21/77/490452177.db2.gz CVXVPHAEPDCTJL-WOPDTQHZSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@H](CC[NH+]1CC[C@H](O)C1)[N@@H+]1CC[C@H](O)C1 ZINC000305243138 490452171 /nfs/dbraw/zinc/45/21/71/490452171.db2.gz CVXVPHAEPDCTJL-WOPDTQHZSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@H](CC[N@H+]1CC[C@H](O)C1)[NH+]1CC[C@H](O)C1 ZINC000305243138 490452164 /nfs/dbraw/zinc/45/21/64/490452164.db2.gz CVXVPHAEPDCTJL-WOPDTQHZSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@@H](C[NH+]1CC[C@H](O)C1)C[N@H+]1CC[C@@H](O)C1 ZINC000305267962 387591283 /nfs/dbraw/zinc/59/12/83/387591283.db2.gz WECSMFGOIOULRR-CNDDSTCGSA-N 2 1 228.336 -0.244 20 0 BBADMP C[C@@H](C[NH+]1CC[C@H](O)C1)C[N@@H+]1CC[C@@H](O)C1 ZINC000305267962 387591277 /nfs/dbraw/zinc/59/12/77/387591277.db2.gz WECSMFGOIOULRR-CNDDSTCGSA-N 2 1 228.336 -0.244 20 0 BBADMP C[C@H](C[NH+]1CC[C@@H](O)C1)C[N@H+]1CC[C@H](O)C1 ZINC000305267962 387591271 /nfs/dbraw/zinc/59/12/71/387591271.db2.gz WECSMFGOIOULRR-CNDDSTCGSA-N 2 1 228.336 -0.244 20 0 BBADMP CC(C[NH+]1CC[C@H](O)C1)C[N@H+]1CC[C@H](O)C1 ZINC000305267963 387590387 /nfs/dbraw/zinc/59/03/87/387590387.db2.gz WECSMFGOIOULRR-RYUDHWBXSA-N 2 1 228.336 -0.244 20 0 BBADMP CC(C[NH+]1CC[C@@H](O)C1)C[N@H+]1CC[C@@H](O)C1 ZINC000305267964 387590808 /nfs/dbraw/zinc/59/08/08/387590808.db2.gz WECSMFGOIOULRR-VXGBXAGGSA-N 2 1 228.336 -0.244 20 0 BBADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CSC2)C1 ZINC000306344476 359663317 /nfs/dbraw/zinc/66/33/17/359663317.db2.gz DMHRUNXDTABXQQ-SECBINFHSA-N 2 1 202.323 -0.242 20 0 BBADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CSC2)C1 ZINC000306344476 359663313 /nfs/dbraw/zinc/66/33/13/359663313.db2.gz DMHRUNXDTABXQQ-SECBINFHSA-N 2 1 202.323 -0.242 20 0 BBADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CSC2)C1 ZINC000306344481 359663165 /nfs/dbraw/zinc/66/31/65/359663165.db2.gz DMHRUNXDTABXQQ-VIFPVBQESA-N 2 1 202.323 -0.242 20 0 BBADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CSC2)C1 ZINC000306344481 359663161 /nfs/dbraw/zinc/66/31/61/359663161.db2.gz DMHRUNXDTABXQQ-VIFPVBQESA-N 2 1 202.323 -0.242 20 0 BBADMP O=C(NC[C@H]1CCC[NH2+]1)[C@H]1CSC[NH2+]1 ZINC000306454012 182238241 /nfs/dbraw/zinc/23/82/41/182238241.db2.gz OSZPJFBAMNRZIG-HTQZYQBOSA-N 2 1 215.322 -0.483 20 0 BBADMP O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1CSC[NH2+]1 ZINC000306454013 188330826 /nfs/dbraw/zinc/33/08/26/188330826.db2.gz OSZPJFBAMNRZIG-JGVFFNPUSA-N 2 1 215.322 -0.483 20 0 BBADMP C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000306531284 385063736 /nfs/dbraw/zinc/06/37/36/385063736.db2.gz FMTPLQUMFIIUSR-PHDIDXHHSA-N 2 1 207.224 -0.601 20 0 BBADMP C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000306531285 385062481 /nfs/dbraw/zinc/06/24/81/385062481.db2.gz FMTPLQUMFIIUSR-RITPCOANSA-N 2 1 207.224 -0.601 20 0 BBADMP O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1CSC[NH2+]1 ZINC000306540304 182237386 /nfs/dbraw/zinc/23/73/86/182237386.db2.gz OSZPJFBAMNRZIG-SFYZADRCSA-N 2 1 215.322 -0.483 20 0 BBADMP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1CSC[NH2+]1 ZINC000306540305 385075462 /nfs/dbraw/zinc/07/54/62/385075462.db2.gz OSZPJFBAMNRZIG-YUMQZZPRSA-N 2 1 215.322 -0.483 20 0 BBADMP [NH3+]C1(CNC(=O)[C@H]2CSC[NH2+]2)CCC1 ZINC000306886147 181331015 /nfs/dbraw/zinc/33/10/15/181331015.db2.gz SDPMYVWDPISVHO-SSDOTTSWSA-N 2 1 215.322 -0.354 20 0 BBADMP [NH3+]C1(CNC(=O)[C@@H]2CSC[NH2+]2)CCC1 ZINC000306886148 181331416 /nfs/dbraw/zinc/33/14/16/181331416.db2.gz SDPMYVWDPISVHO-ZETCQYMHSA-N 2 1 215.322 -0.354 20 0 BBADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCOC2)C1 ZINC000307038189 173137569 /nfs/dbraw/zinc/13/75/69/173137569.db2.gz FNPDYKXEJZYCOE-NXEZZACHSA-N 2 1 200.282 -0.569 20 0 BBADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCOC2)C1 ZINC000307038189 173137566 /nfs/dbraw/zinc/13/75/66/173137566.db2.gz FNPDYKXEJZYCOE-NXEZZACHSA-N 2 1 200.282 -0.569 20 0 BBADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCOC2)C1 ZINC000307038190 173165551 /nfs/dbraw/zinc/16/55/51/173165551.db2.gz FNPDYKXEJZYCOE-UWVGGRQHSA-N 2 1 200.282 -0.569 20 0 BBADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCOC2)C1 ZINC000307038190 173165549 /nfs/dbraw/zinc/16/55/49/173165549.db2.gz FNPDYKXEJZYCOE-UWVGGRQHSA-N 2 1 200.282 -0.569 20 0 BBADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCOC2)C1 ZINC000307038191 173137273 /nfs/dbraw/zinc/13/72/73/173137273.db2.gz FNPDYKXEJZYCOE-VHSXEESVSA-N 2 1 200.282 -0.569 20 0 BBADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCOC2)C1 ZINC000307038191 173137270 /nfs/dbraw/zinc/13/72/70/173137270.db2.gz FNPDYKXEJZYCOE-VHSXEESVSA-N 2 1 200.282 -0.569 20 0 BBADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCOC2)C1 ZINC000307038192 173165338 /nfs/dbraw/zinc/16/53/38/173165338.db2.gz FNPDYKXEJZYCOE-ZJUUUORDSA-N 2 1 200.282 -0.569 20 0 BBADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCOC2)C1 ZINC000307038192 173165335 /nfs/dbraw/zinc/16/53/35/173165335.db2.gz FNPDYKXEJZYCOE-ZJUUUORDSA-N 2 1 200.282 -0.569 20 0 BBADMP CN(C(=O)[C@H]1CSC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000307078057 398334112 /nfs/dbraw/zinc/33/41/12/398334112.db2.gz GQPHIZZRCRRWOM-HTQZYQBOSA-N 2 1 215.322 -0.531 20 0 BBADMP CN(C(=O)[C@H]1CSC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000307078060 398334212 /nfs/dbraw/zinc/33/42/12/398334212.db2.gz GQPHIZZRCRRWOM-JGVFFNPUSA-N 2 1 215.322 -0.531 20 0 BBADMP CN(C(=O)[C@@H]1CSC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000307078063 351467677 /nfs/dbraw/zinc/46/76/77/351467677.db2.gz GQPHIZZRCRRWOM-SFYZADRCSA-N 2 1 215.322 -0.531 20 0 BBADMP CN(C(=O)[C@@H]1CSC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000307078065 351467634 /nfs/dbraw/zinc/46/76/34/351467634.db2.gz GQPHIZZRCRRWOM-YUMQZZPRSA-N 2 1 215.322 -0.531 20 0 BBADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1OCCO1 ZINC000307133974 635983355 /nfs/dbraw/zinc/98/33/55/635983355.db2.gz NGXCLPMEUHQMOI-AOOOYVTPSA-N 2 1 212.293 -0.099 20 0 BBADMP C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000307156071 135384871 /nfs/dbraw/zinc/38/48/71/135384871.db2.gz FMTPLQUMFIIUSR-NTSWFWBYSA-N 2 1 207.224 -0.601 20 0 BBADMP C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000307156074 385660800 /nfs/dbraw/zinc/66/08/00/385660800.db2.gz FMTPLQUMFIIUSR-WDSKDSINSA-N 2 1 207.224 -0.601 20 0 BBADMP O=C(NC1CC[NH2+]CC1)[C@H]1CSC[NH2+]1 ZINC000307359467 369999475 /nfs/dbraw/zinc/99/94/75/369999475.db2.gz FFYBZUANQXZKLT-MRVPVSSYSA-N 2 1 215.322 -0.483 20 0 BBADMP O=C(NC1CC[NH2+]CC1)[C@@H]1CSC[NH2+]1 ZINC000307359468 369998951 /nfs/dbraw/zinc/99/89/51/369998951.db2.gz FFYBZUANQXZKLT-QMMMGPOBSA-N 2 1 215.322 -0.483 20 0 BBADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@@H](O)CC(F)(F)F ZINC000307932257 641195521 /nfs/dbraw/zinc/19/55/21/641195521.db2.gz COUBZZCBWXSMBJ-BQBZGAKWSA-N 2 1 230.230 -0.449 20 0 BBADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H](O)CC(F)(F)F ZINC000307932259 641194480 /nfs/dbraw/zinc/19/44/80/641194480.db2.gz COUBZZCBWXSMBJ-NKWVEPMBSA-N 2 1 230.230 -0.449 20 0 BBADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@H](O)CC(F)(F)F ZINC000307932261 641194629 /nfs/dbraw/zinc/19/46/29/641194629.db2.gz COUBZZCBWXSMBJ-RNFRBKRXSA-N 2 1 230.230 -0.449 20 0 BBADMP C[N@H+](C[C@H](O)CC(F)(F)F)C[C@@H](O)C[NH3+] ZINC000307932262 641195260 /nfs/dbraw/zinc/19/52/60/641195260.db2.gz COUBZZCBWXSMBJ-RQJHMYQMSA-N 2 1 230.230 -0.449 20 0 BBADMP CC(=O)NCC[N@H+](C)CCOCC[NH3+] ZINC000308204787 259339023 /nfs/dbraw/zinc/33/90/23/259339023.db2.gz XVEACFVQFJNLMX-UHFFFAOYSA-N 2 1 203.286 -0.970 20 0 BBADMP COC(=O)NCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000308226122 388433499 /nfs/dbraw/zinc/43/34/99/388433499.db2.gz DSSPFRGSVMMGJO-JTQLQIEISA-N 2 1 245.323 -0.613 20 0 BBADMP COC(=O)NCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000308226122 388433495 /nfs/dbraw/zinc/43/34/95/388433495.db2.gz DSSPFRGSVMMGJO-JTQLQIEISA-N 2 1 245.323 -0.613 20 0 BBADMP COC(=O)NCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000308226124 388433705 /nfs/dbraw/zinc/43/37/05/388433705.db2.gz DSSPFRGSVMMGJO-SNVBAGLBSA-N 2 1 245.323 -0.613 20 0 BBADMP COC(=O)NCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000308226124 388433703 /nfs/dbraw/zinc/43/37/03/388433703.db2.gz DSSPFRGSVMMGJO-SNVBAGLBSA-N 2 1 245.323 -0.613 20 0 BBADMP COC(=O)NCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000308276268 631238637 /nfs/dbraw/zinc/23/86/37/631238637.db2.gz VEKBIBJBXDIQQV-JTQLQIEISA-N 2 1 245.323 -0.611 20 0 BBADMP COC(=O)NCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000308276270 631215774 /nfs/dbraw/zinc/21/57/74/631215774.db2.gz VEKBIBJBXDIQQV-SNVBAGLBSA-N 2 1 245.323 -0.611 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)CCO ZINC000308464794 353333838 /nfs/dbraw/zinc/33/38/38/353333838.db2.gz FXLRSNYLLHDAFB-JTQLQIEISA-N 2 1 204.314 -0.387 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)CCO ZINC000308464794 353333835 /nfs/dbraw/zinc/33/38/35/353333835.db2.gz FXLRSNYLLHDAFB-JTQLQIEISA-N 2 1 204.314 -0.387 20 0 BBADMP CC[NH+](CCO)C[C@@H](O)C[N@H+](C)CC ZINC000308464794 353333833 /nfs/dbraw/zinc/33/38/33/353333833.db2.gz FXLRSNYLLHDAFB-JTQLQIEISA-N 2 1 204.314 -0.387 20 0 BBADMP CC[NH+](CCO)C[C@@H](O)C[N@@H+](C)CC ZINC000308464794 353333829 /nfs/dbraw/zinc/33/38/29/353333829.db2.gz FXLRSNYLLHDAFB-JTQLQIEISA-N 2 1 204.314 -0.387 20 0 BBADMP CCN(C)C[C@H](O)C[N@@H+](CC)CCO ZINC000308464794 353333826 /nfs/dbraw/zinc/33/38/26/353333826.db2.gz FXLRSNYLLHDAFB-JTQLQIEISA-N 2 1 204.314 -0.387 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)CCO ZINC000308464806 353334001 /nfs/dbraw/zinc/33/40/01/353334001.db2.gz FXLRSNYLLHDAFB-SNVBAGLBSA-N 2 1 204.314 -0.387 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)CCO ZINC000308464806 353334000 /nfs/dbraw/zinc/33/40/00/353334000.db2.gz FXLRSNYLLHDAFB-SNVBAGLBSA-N 2 1 204.314 -0.387 20 0 BBADMP CC[NH+](CCO)C[C@H](O)C[N@H+](C)CC ZINC000308464806 353333999 /nfs/dbraw/zinc/33/39/99/353333999.db2.gz FXLRSNYLLHDAFB-SNVBAGLBSA-N 2 1 204.314 -0.387 20 0 BBADMP CC[NH+](CCO)C[C@H](O)C[N@@H+](C)CC ZINC000308464806 353333997 /nfs/dbraw/zinc/33/39/97/353333997.db2.gz FXLRSNYLLHDAFB-SNVBAGLBSA-N 2 1 204.314 -0.387 20 0 BBADMP CCN(C)C[C@@H](O)C[N@@H+](CC)CCO ZINC000308464806 353333996 /nfs/dbraw/zinc/33/39/96/353333996.db2.gz FXLRSNYLLHDAFB-SNVBAGLBSA-N 2 1 204.314 -0.387 20 0 BBADMP CC[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)CC ZINC000308526408 633744706 /nfs/dbraw/zinc/74/47/06/633744706.db2.gz PGENRQGWPUVEAQ-NXEZZACHSA-N 2 1 204.314 -0.341 20 0 BBADMP CC[C@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)CC ZINC000308526408 633744702 /nfs/dbraw/zinc/74/47/02/633744702.db2.gz PGENRQGWPUVEAQ-NXEZZACHSA-N 2 1 204.314 -0.341 20 0 BBADMP C[C@H]([NH3+])CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000308576710 347874154 /nfs/dbraw/zinc/87/41/54/347874154.db2.gz NCBYRBFTOIXVOS-NKWVEPMBSA-N 2 1 203.311 -0.498 20 0 BBADMP COCC[NH+]1CCC([NH2+]CCO)CC1 ZINC000308623772 538117029 /nfs/dbraw/zinc/11/70/29/538117029.db2.gz VEWSMYPOYSGWML-UHFFFAOYSA-N 2 1 202.298 -0.321 20 0 BBADMP C[C@@H](CC[NH3+])NC(=O)[C@@H]1CSC[NH2+]1 ZINC000308645283 347983806 /nfs/dbraw/zinc/98/38/06/347983806.db2.gz HDGWVNMWGMKWLD-BQBZGAKWSA-N 2 1 203.311 -0.498 20 0 BBADMP C[C@@H](CC[NH3+])NC(=O)[C@H]1CSC[NH2+]1 ZINC000308645284 347983833 /nfs/dbraw/zinc/98/38/33/347983833.db2.gz HDGWVNMWGMKWLD-NKWVEPMBSA-N 2 1 203.311 -0.498 20 0 BBADMP C[C@H](CC[NH3+])NC(=O)[C@H]1CSC[NH2+]1 ZINC000308645285 346893605 /nfs/dbraw/zinc/89/36/05/346893605.db2.gz HDGWVNMWGMKWLD-RNFRBKRXSA-N 2 1 203.311 -0.498 20 0 BBADMP C[C@H](CC[NH3+])NC(=O)[C@@H]1CSC[NH2+]1 ZINC000308645286 347983758 /nfs/dbraw/zinc/98/37/58/347983758.db2.gz HDGWVNMWGMKWLD-RQJHMYQMSA-N 2 1 203.311 -0.498 20 0 BBADMP C[C@@H]1CC[C@@H](C[N@@H+](C)C[C@H](O)C[NH3+])O1 ZINC000308653777 384893044 /nfs/dbraw/zinc/89/30/44/384893044.db2.gz MQOVWGJRJAUXMJ-BBBLOLIVSA-N 2 1 202.298 -0.195 20 0 BBADMP C[C@@H]1CC[C@@H](C[N@H+](C)C[C@H](O)C[NH3+])O1 ZINC000308653777 384893038 /nfs/dbraw/zinc/89/30/38/384893038.db2.gz MQOVWGJRJAUXMJ-BBBLOLIVSA-N 2 1 202.298 -0.195 20 0 BBADMP C[C@@H]1CC[C@H](C[N@@H+](C)C[C@@H](O)C[NH3+])O1 ZINC000308653779 384892498 /nfs/dbraw/zinc/89/24/98/384892498.db2.gz MQOVWGJRJAUXMJ-KXUCPTDWSA-N 2 1 202.298 -0.195 20 0 BBADMP C[C@@H]1CC[C@H](C[N@H+](C)C[C@@H](O)C[NH3+])O1 ZINC000308653779 384892488 /nfs/dbraw/zinc/89/24/88/384892488.db2.gz MQOVWGJRJAUXMJ-KXUCPTDWSA-N 2 1 202.298 -0.195 20 0 BBADMP C[C@@H]1CC[C@H](C[N@@H+](C)C[C@H](O)C[NH3+])O1 ZINC000308653781 384892202 /nfs/dbraw/zinc/89/22/02/384892202.db2.gz MQOVWGJRJAUXMJ-OPRDCNLKSA-N 2 1 202.298 -0.195 20 0 BBADMP C[C@@H]1CC[C@H](C[N@H+](C)C[C@H](O)C[NH3+])O1 ZINC000308653781 384892194 /nfs/dbraw/zinc/89/21/94/384892194.db2.gz MQOVWGJRJAUXMJ-OPRDCNLKSA-N 2 1 202.298 -0.195 20 0 BBADMP C[C@@H]1CC[C@@H](C[N@@H+](C)C[C@@H](O)C[NH3+])O1 ZINC000308653783 384893473 /nfs/dbraw/zinc/89/34/73/384893473.db2.gz MQOVWGJRJAUXMJ-UTLUCORTSA-N 2 1 202.298 -0.195 20 0 BBADMP C[C@@H]1CC[C@@H](C[N@H+](C)C[C@@H](O)C[NH3+])O1 ZINC000308653783 384893469 /nfs/dbraw/zinc/89/34/69/384893469.db2.gz MQOVWGJRJAUXMJ-UTLUCORTSA-N 2 1 202.298 -0.195 20 0 BBADMP C[C@H](CCO)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000308665476 631476367 /nfs/dbraw/zinc/47/63/67/631476367.db2.gz SFRILAMYIHLBQI-NXEZZACHSA-N 2 1 202.298 -0.587 20 0 BBADMP C[C@H](CCO)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000308665476 631476364 /nfs/dbraw/zinc/47/63/64/631476364.db2.gz SFRILAMYIHLBQI-NXEZZACHSA-N 2 1 202.298 -0.587 20 0 BBADMP C[C@@H](CCO)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000308665479 631476052 /nfs/dbraw/zinc/47/60/52/631476052.db2.gz SFRILAMYIHLBQI-UWVGGRQHSA-N 2 1 202.298 -0.587 20 0 BBADMP C[C@@H](CCO)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000308665479 631476042 /nfs/dbraw/zinc/47/60/42/631476042.db2.gz SFRILAMYIHLBQI-UWVGGRQHSA-N 2 1 202.298 -0.587 20 0 BBADMP C[C@@H](CCO)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000308665485 631477095 /nfs/dbraw/zinc/47/70/95/631477095.db2.gz SFRILAMYIHLBQI-VHSXEESVSA-N 2 1 202.298 -0.587 20 0 BBADMP C[C@@H](CCO)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000308665485 631477091 /nfs/dbraw/zinc/47/70/91/631477091.db2.gz SFRILAMYIHLBQI-VHSXEESVSA-N 2 1 202.298 -0.587 20 0 BBADMP C[C@H](CCO)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000308665490 631350584 /nfs/dbraw/zinc/35/05/84/631350584.db2.gz SFRILAMYIHLBQI-ZJUUUORDSA-N 2 1 202.298 -0.587 20 0 BBADMP C[C@H](CCO)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000308665490 631350583 /nfs/dbraw/zinc/35/05/83/631350583.db2.gz SFRILAMYIHLBQI-ZJUUUORDSA-N 2 1 202.298 -0.587 20 0 BBADMP C[C@@H](O)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000308698868 370150730 /nfs/dbraw/zinc/15/07/30/370150730.db2.gz UMBQRNQGAMGHPF-PSASIEDQSA-N 2 1 202.298 -0.588 20 0 BBADMP C[C@@H](O)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000308698868 370150726 /nfs/dbraw/zinc/15/07/26/370150726.db2.gz UMBQRNQGAMGHPF-PSASIEDQSA-N 2 1 202.298 -0.588 20 0 BBADMP C[C@@H](O)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000308698869 370150905 /nfs/dbraw/zinc/15/09/05/370150905.db2.gz UMBQRNQGAMGHPF-SCZZXKLOSA-N 2 1 202.298 -0.588 20 0 BBADMP C[C@@H](O)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000308698869 370150903 /nfs/dbraw/zinc/15/09/03/370150903.db2.gz UMBQRNQGAMGHPF-SCZZXKLOSA-N 2 1 202.298 -0.588 20 0 BBADMP C[C@H](O)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000308698870 370150691 /nfs/dbraw/zinc/15/06/91/370150691.db2.gz UMBQRNQGAMGHPF-WCBMZHEXSA-N 2 1 202.298 -0.588 20 0 BBADMP C[C@H](O)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000308698870 370150688 /nfs/dbraw/zinc/15/06/88/370150688.db2.gz UMBQRNQGAMGHPF-WCBMZHEXSA-N 2 1 202.298 -0.588 20 0 BBADMP C[C@H](O)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000308698871 370151233 /nfs/dbraw/zinc/15/12/33/370151233.db2.gz UMBQRNQGAMGHPF-WPRPVWTQSA-N 2 1 202.298 -0.588 20 0 BBADMP C[C@H](O)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000308698871 370151231 /nfs/dbraw/zinc/15/12/31/370151231.db2.gz UMBQRNQGAMGHPF-WPRPVWTQSA-N 2 1 202.298 -0.588 20 0 BBADMP NC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000308705199 181231251 /nfs/dbraw/zinc/23/12/51/181231251.db2.gz GBCBHYGJABZYKG-UWVGGRQHSA-N 2 1 211.309 -0.207 20 0 BBADMP NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000308705201 181231407 /nfs/dbraw/zinc/23/14/07/181231407.db2.gz GBCBHYGJABZYKG-VHSXEESVSA-N 2 1 211.309 -0.207 20 0 BBADMP CC[N@@H+](CCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000308744120 631362076 /nfs/dbraw/zinc/36/20/76/631362076.db2.gz GEUGACIYQQAWQS-LLVKDONJSA-N 2 1 216.325 -0.243 20 0 BBADMP CC[N@H+](CCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000308744120 631362070 /nfs/dbraw/zinc/36/20/70/631362070.db2.gz GEUGACIYQQAWQS-LLVKDONJSA-N 2 1 216.325 -0.243 20 0 BBADMP CC[N@@H+](CCO)C[C@H](O)C[NH+]1CCCC1 ZINC000308744122 631362240 /nfs/dbraw/zinc/36/22/40/631362240.db2.gz GEUGACIYQQAWQS-NSHDSACASA-N 2 1 216.325 -0.243 20 0 BBADMP CC[N@H+](CCO)C[C@H](O)C[NH+]1CCCC1 ZINC000308744122 631362236 /nfs/dbraw/zinc/36/22/36/631362236.db2.gz GEUGACIYQQAWQS-NSHDSACASA-N 2 1 216.325 -0.243 20 0 BBADMP CC[N@@H+](CCOCC[NH3+])CCC(=O)NC ZINC000308798924 631650326 /nfs/dbraw/zinc/65/03/26/631650326.db2.gz LUJDQGMFSLDGMD-UHFFFAOYSA-N 2 1 217.313 -0.580 20 0 BBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000308802292 409904890 /nfs/dbraw/zinc/90/48/90/409904890.db2.gz DZZZNODOZHDFNQ-GXSJLCMTSA-N 2 1 211.309 -0.064 20 0 BBADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000308802292 409904887 /nfs/dbraw/zinc/90/48/87/409904887.db2.gz DZZZNODOZHDFNQ-GXSJLCMTSA-N 2 1 211.309 -0.064 20 0 BBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000308802293 409905523 /nfs/dbraw/zinc/90/55/23/409905523.db2.gz DZZZNODOZHDFNQ-KOLCDFICSA-N 2 1 211.309 -0.064 20 0 BBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000308802293 409905516 /nfs/dbraw/zinc/90/55/16/409905516.db2.gz DZZZNODOZHDFNQ-KOLCDFICSA-N 2 1 211.309 -0.064 20 0 BBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000308802294 409904951 /nfs/dbraw/zinc/90/49/51/409904951.db2.gz DZZZNODOZHDFNQ-MWLCHTKSSA-N 2 1 211.309 -0.064 20 0 BBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000308802294 409904949 /nfs/dbraw/zinc/90/49/49/409904949.db2.gz DZZZNODOZHDFNQ-MWLCHTKSSA-N 2 1 211.309 -0.064 20 0 BBADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000308802295 409905548 /nfs/dbraw/zinc/90/55/48/409905548.db2.gz DZZZNODOZHDFNQ-ONGXEEELSA-N 2 1 211.309 -0.064 20 0 BBADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000308802295 409905542 /nfs/dbraw/zinc/90/55/42/409905542.db2.gz DZZZNODOZHDFNQ-ONGXEEELSA-N 2 1 211.309 -0.064 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CO)C(C)C ZINC000308804921 259341049 /nfs/dbraw/zinc/34/10/49/259341049.db2.gz FUXNGRPPAUXOTN-GHMZBOCLSA-N 2 1 218.341 -0.095 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](CO)C(C)C ZINC000308804921 259341048 /nfs/dbraw/zinc/34/10/48/259341048.db2.gz FUXNGRPPAUXOTN-GHMZBOCLSA-N 2 1 218.341 -0.095 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CO)C(C)C ZINC000308805285 259340735 /nfs/dbraw/zinc/34/07/35/259340735.db2.gz FUXNGRPPAUXOTN-WDEREUQCSA-N 2 1 218.341 -0.095 20 0 BBADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](CO)C(C)C ZINC000308805285 259340733 /nfs/dbraw/zinc/34/07/33/259340733.db2.gz FUXNGRPPAUXOTN-WDEREUQCSA-N 2 1 218.341 -0.095 20 0 BBADMP Cn1ncc(C[NH+]2CCC(C[NH3+])CC2)n1 ZINC000308808001 631663875 /nfs/dbraw/zinc/66/38/75/631663875.db2.gz AQALRYCPMKCMJZ-UHFFFAOYSA-N 2 1 209.297 -0.014 20 0 BBADMP C[C@@H]1C[C@H]([NH3+])CCN1CCOCC[NH3+] ZINC000308848476 348854238 /nfs/dbraw/zinc/85/42/38/348854238.db2.gz NBWXWWGDBYZPPR-NXEZZACHSA-N 2 1 201.314 -0.227 20 0 BBADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCOCC[NH3+] ZINC000308848476 348854235 /nfs/dbraw/zinc/85/42/35/348854235.db2.gz NBWXWWGDBYZPPR-NXEZZACHSA-N 3 1 201.314 -0.227 20 0 BBADMP C[C@H]1C[C@@H]([NH3+])CCN1CCOCC[NH3+] ZINC000308848478 348853980 /nfs/dbraw/zinc/85/39/80/348853980.db2.gz NBWXWWGDBYZPPR-UWVGGRQHSA-N 2 1 201.314 -0.227 20 0 BBADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCOCC[NH3+] ZINC000308848478 348853979 /nfs/dbraw/zinc/85/39/79/348853979.db2.gz NBWXWWGDBYZPPR-UWVGGRQHSA-N 3 1 201.314 -0.227 20 0 BBADMP C[C@H]1C[C@H]([NH3+])CCN1CCOCC[NH3+] ZINC000308848480 348854008 /nfs/dbraw/zinc/85/40/08/348854008.db2.gz NBWXWWGDBYZPPR-VHSXEESVSA-N 2 1 201.314 -0.227 20 0 BBADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCOCC[NH3+] ZINC000308848480 348854006 /nfs/dbraw/zinc/85/40/06/348854006.db2.gz NBWXWWGDBYZPPR-VHSXEESVSA-N 3 1 201.314 -0.227 20 0 BBADMP C[C@@H]1C[C@@H]([NH3+])CCN1CCOCC[NH3+] ZINC000308848481 348854167 /nfs/dbraw/zinc/85/41/67/348854167.db2.gz NBWXWWGDBYZPPR-ZJUUUORDSA-N 2 1 201.314 -0.227 20 0 BBADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCOCC[NH3+] ZINC000308848481 348854165 /nfs/dbraw/zinc/85/41/65/348854165.db2.gz NBWXWWGDBYZPPR-ZJUUUORDSA-N 3 1 201.314 -0.227 20 0 BBADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000308849888 631919343 /nfs/dbraw/zinc/91/93/43/631919343.db2.gz MMNSJVGMCBGIIG-VHSXEESVSA-N 2 1 211.309 -0.384 20 0 BBADMP CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000308849888 631919338 /nfs/dbraw/zinc/91/93/38/631919338.db2.gz MMNSJVGMCBGIIG-VHSXEESVSA-N 2 1 211.309 -0.384 20 0 BBADMP CC(C)[C@@H]([NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000308853649 385216949 /nfs/dbraw/zinc/21/69/49/385216949.db2.gz SBYLSLRTTVNPFP-ZCFIWIBFSA-N 2 1 209.240 -0.320 20 0 BBADMP C[C@H](C(N)=O)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000308856847 348907997 /nfs/dbraw/zinc/90/79/97/348907997.db2.gz QTDDQYAUSXQGMW-BBBLOLIVSA-N 2 1 211.309 -0.208 20 0 BBADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000308856850 348908098 /nfs/dbraw/zinc/90/80/98/348908098.db2.gz QTDDQYAUSXQGMW-LPEHRKFASA-N 2 1 211.309 -0.208 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000308872043 631698956 /nfs/dbraw/zinc/69/89/56/631698956.db2.gz ZKKWLRHEBFDBNW-AXFHLTTASA-N 2 1 214.309 -0.323 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000308872045 632036623 /nfs/dbraw/zinc/03/66/23/632036623.db2.gz ZKKWLRHEBFDBNW-GMTAPVOTSA-N 2 1 214.309 -0.323 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000308872047 631698923 /nfs/dbraw/zinc/69/89/23/631698923.db2.gz ZKKWLRHEBFDBNW-HBNTYKKESA-N 2 1 214.309 -0.323 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000308872049 631698991 /nfs/dbraw/zinc/69/89/91/631698991.db2.gz ZKKWLRHEBFDBNW-MXWKQRLJSA-N 2 1 214.309 -0.323 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000308872701 631701947 /nfs/dbraw/zinc/70/19/47/631701947.db2.gz SXALZPBDUANTLK-GHMZBOCLSA-N 2 1 214.309 -0.321 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000308872702 632038717 /nfs/dbraw/zinc/03/87/17/632038717.db2.gz SXALZPBDUANTLK-MNOVXSKESA-N 2 1 214.309 -0.321 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000308872703 632039566 /nfs/dbraw/zinc/03/95/66/632039566.db2.gz SXALZPBDUANTLK-QWRGUYRKSA-N 2 1 214.309 -0.321 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000308872704 631701399 /nfs/dbraw/zinc/70/13/99/631701399.db2.gz SXALZPBDUANTLK-WDEREUQCSA-N 2 1 214.309 -0.321 20 0 BBADMP CC[NH2+]CCCNC(=O)[C@H]1CSC[NH2+]1 ZINC000308877786 322962550 /nfs/dbraw/zinc/96/25/50/322962550.db2.gz OFJPXPGMQSXRRR-MRVPVSSYSA-N 2 1 217.338 -0.235 20 0 BBADMP CC[NH2+]CCCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000308877788 353587098 /nfs/dbraw/zinc/58/70/98/353587098.db2.gz OFJPXPGMQSXRRR-QMMMGPOBSA-N 2 1 217.338 -0.235 20 0 BBADMP CC[NH2+][C@H](C)CNC(=O)[C@H]1CSC[NH2+]1 ZINC000308883815 259340833 /nfs/dbraw/zinc/34/08/33/259340833.db2.gz RSLFRYYREXBNDH-HTQZYQBOSA-N 2 1 217.338 -0.237 20 0 BBADMP CC1([NH3+])CCN(CCOCC[NH3+])CC1 ZINC000308883944 409935245 /nfs/dbraw/zinc/93/52/45/409935245.db2.gz VEDQGTQGKWYUAI-UHFFFAOYSA-N 2 1 201.314 -0.225 20 0 BBADMP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000308884225 323180713 /nfs/dbraw/zinc/18/07/13/323180713.db2.gz RSLFRYYREXBNDH-SFYZADRCSA-N 2 1 217.338 -0.237 20 0 BBADMP O=C1NCCC[C@@H]1[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000308890687 491139543 /nfs/dbraw/zinc/13/95/43/491139543.db2.gz WRLHHCBOJWUAQP-AEJSXWLSSA-N 2 1 209.293 -0.584 20 0 BBADMP O=C1NCCC[C@H]1[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000308890690 491139587 /nfs/dbraw/zinc/13/95/87/491139587.db2.gz WRLHHCBOJWUAQP-KXUCPTDWSA-N 2 1 209.293 -0.584 20 0 BBADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@@H](O)C1 ZINC000308893439 487722885 /nfs/dbraw/zinc/72/28/85/487722885.db2.gz YQZLWFAQBPKKRO-GHMZBOCLSA-N 2 1 216.325 -0.246 20 0 BBADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@@H](O)C1 ZINC000308893441 487723582 /nfs/dbraw/zinc/72/35/82/487723582.db2.gz YQZLWFAQBPKKRO-MNOVXSKESA-N 2 1 216.325 -0.246 20 0 BBADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@H](O)C1 ZINC000308893443 487723176 /nfs/dbraw/zinc/72/31/76/487723176.db2.gz YQZLWFAQBPKKRO-QWRGUYRKSA-N 2 1 216.325 -0.246 20 0 BBADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@H](O)C1 ZINC000308893445 410790671 /nfs/dbraw/zinc/79/06/71/410790671.db2.gz YQZLWFAQBPKKRO-WDEREUQCSA-N 2 1 216.325 -0.246 20 0 BBADMP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000308915809 410814664 /nfs/dbraw/zinc/81/46/64/410814664.db2.gz NRIFZJSPMMWIGO-ONGXEEELSA-N 2 1 211.309 -0.207 20 0 BBADMP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000308915809 410814660 /nfs/dbraw/zinc/81/46/60/410814660.db2.gz NRIFZJSPMMWIGO-ONGXEEELSA-N 2 1 211.309 -0.207 20 0 BBADMP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000308944800 410821337 /nfs/dbraw/zinc/82/13/37/410821337.db2.gz VVMXRKAXMFTGBI-YWVKMMECSA-N 2 1 211.309 -0.079 20 0 BBADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000308944800 410821332 /nfs/dbraw/zinc/82/13/32/410821332.db2.gz VVMXRKAXMFTGBI-YWVKMMECSA-N 2 1 211.309 -0.079 20 0 BBADMP C[C@H](C(N)=O)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000308949489 384386338 /nfs/dbraw/zinc/38/63/38/384386338.db2.gz XEQVPOSJFRBDFA-SECBINFHSA-N 2 1 211.309 -0.064 20 0 BBADMP C[C@@H](C(N)=O)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000308949490 384387221 /nfs/dbraw/zinc/38/72/21/384387221.db2.gz XEQVPOSJFRBDFA-VIFPVBQESA-N 2 1 211.309 -0.064 20 0 BBADMP COC1CC([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000308965591 174019024 /nfs/dbraw/zinc/01/90/24/174019024.db2.gz VIQXOZBEWSVAQW-ILDUYXDCSA-N 2 1 214.309 -0.180 20 0 BBADMP COC1CC([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000308965591 174019022 /nfs/dbraw/zinc/01/90/22/174019022.db2.gz VIQXOZBEWSVAQW-ILDUYXDCSA-N 2 1 214.309 -0.180 20 0 BBADMP COC1CC([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000308965592 174018242 /nfs/dbraw/zinc/01/82/42/174018242.db2.gz VIQXOZBEWSVAQW-VQXHTEKXSA-N 2 1 214.309 -0.180 20 0 BBADMP COC1CC([NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000308965592 174018239 /nfs/dbraw/zinc/01/82/39/174018239.db2.gz VIQXOZBEWSVAQW-VQXHTEKXSA-N 2 1 214.309 -0.180 20 0 BBADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CCOCC2)C1 ZINC000308968572 173137651 /nfs/dbraw/zinc/13/76/51/173137651.db2.gz XOODEULQDLBALA-LLVKDONJSA-N 2 1 214.309 -0.178 20 0 BBADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CCOCC2)C1 ZINC000308968572 173137648 /nfs/dbraw/zinc/13/76/48/173137648.db2.gz XOODEULQDLBALA-LLVKDONJSA-N 2 1 214.309 -0.178 20 0 BBADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CCOCC2)C1 ZINC000308968573 173164382 /nfs/dbraw/zinc/16/43/82/173164382.db2.gz XOODEULQDLBALA-NSHDSACASA-N 2 1 214.309 -0.178 20 0 BBADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CCOCC2)C1 ZINC000308968573 173164379 /nfs/dbraw/zinc/16/43/79/173164379.db2.gz XOODEULQDLBALA-NSHDSACASA-N 2 1 214.309 -0.178 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](C)(O)C1 ZINC000308977107 323183046 /nfs/dbraw/zinc/18/30/46/323183046.db2.gz CJYJJGIWSCRTDZ-GHMZBOCLSA-N 2 1 216.325 -0.244 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](C)(O)C1 ZINC000308977107 323183045 /nfs/dbraw/zinc/18/30/45/323183045.db2.gz CJYJJGIWSCRTDZ-GHMZBOCLSA-N 2 1 216.325 -0.244 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(O)C1 ZINC000308977107 323183044 /nfs/dbraw/zinc/18/30/44/323183044.db2.gz CJYJJGIWSCRTDZ-GHMZBOCLSA-N 2 1 216.325 -0.244 20 0 BBADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(O)C1 ZINC000308977107 323183043 /nfs/dbraw/zinc/18/30/43/323183043.db2.gz CJYJJGIWSCRTDZ-GHMZBOCLSA-N 2 1 216.325 -0.244 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](C)(O)C1 ZINC000308977108 323183105 /nfs/dbraw/zinc/18/31/05/323183105.db2.gz CJYJJGIWSCRTDZ-MNOVXSKESA-N 2 1 216.325 -0.244 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](C)(O)C1 ZINC000308977108 323183104 /nfs/dbraw/zinc/18/31/04/323183104.db2.gz CJYJJGIWSCRTDZ-MNOVXSKESA-N 2 1 216.325 -0.244 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(O)C1 ZINC000308977108 323183103 /nfs/dbraw/zinc/18/31/03/323183103.db2.gz CJYJJGIWSCRTDZ-MNOVXSKESA-N 2 1 216.325 -0.244 20 0 BBADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(O)C1 ZINC000308977108 323183102 /nfs/dbraw/zinc/18/31/02/323183102.db2.gz CJYJJGIWSCRTDZ-MNOVXSKESA-N 2 1 216.325 -0.244 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@](C)(O)C1 ZINC000308977109 323183077 /nfs/dbraw/zinc/18/30/77/323183077.db2.gz CJYJJGIWSCRTDZ-QWRGUYRKSA-N 2 1 216.325 -0.244 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](C)(O)C1 ZINC000308977109 323183076 /nfs/dbraw/zinc/18/30/76/323183076.db2.gz CJYJJGIWSCRTDZ-QWRGUYRKSA-N 2 1 216.325 -0.244 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(O)C1 ZINC000308977109 323183075 /nfs/dbraw/zinc/18/30/75/323183075.db2.gz CJYJJGIWSCRTDZ-QWRGUYRKSA-N 2 1 216.325 -0.244 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(O)C1 ZINC000308977109 323183074 /nfs/dbraw/zinc/18/30/74/323183074.db2.gz CJYJJGIWSCRTDZ-QWRGUYRKSA-N 2 1 216.325 -0.244 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](C)(O)C1 ZINC000308977110 323183090 /nfs/dbraw/zinc/18/30/90/323183090.db2.gz CJYJJGIWSCRTDZ-WDEREUQCSA-N 2 1 216.325 -0.244 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](C)(O)C1 ZINC000308977110 323183089 /nfs/dbraw/zinc/18/30/89/323183089.db2.gz CJYJJGIWSCRTDZ-WDEREUQCSA-N 2 1 216.325 -0.244 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(O)C1 ZINC000308977110 323183088 /nfs/dbraw/zinc/18/30/88/323183088.db2.gz CJYJJGIWSCRTDZ-WDEREUQCSA-N 2 1 216.325 -0.244 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(O)C1 ZINC000308977110 323183087 /nfs/dbraw/zinc/18/30/87/323183087.db2.gz CJYJJGIWSCRTDZ-WDEREUQCSA-N 2 1 216.325 -0.244 20 0 BBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000308978018 349262017 /nfs/dbraw/zinc/26/20/17/349262017.db2.gz CRQOTWLYUYQVIL-IVZWLZJFSA-N 2 1 211.309 -0.208 20 0 BBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000308978018 349262012 /nfs/dbraw/zinc/26/20/12/349262012.db2.gz CRQOTWLYUYQVIL-IVZWLZJFSA-N 2 1 211.309 -0.208 20 0 BBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000308978019 346945620 /nfs/dbraw/zinc/94/56/20/346945620.db2.gz CRQOTWLYUYQVIL-KXUCPTDWSA-N 2 1 211.309 -0.208 20 0 BBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000308978019 346945617 /nfs/dbraw/zinc/94/56/17/346945617.db2.gz CRQOTWLYUYQVIL-KXUCPTDWSA-N 2 1 211.309 -0.208 20 0 BBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000308978020 346945978 /nfs/dbraw/zinc/94/59/78/346945978.db2.gz CRQOTWLYUYQVIL-LPEHRKFASA-N 2 1 211.309 -0.208 20 0 BBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000308978020 346945975 /nfs/dbraw/zinc/94/59/75/346945975.db2.gz CRQOTWLYUYQVIL-LPEHRKFASA-N 2 1 211.309 -0.208 20 0 BBADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000308978021 349262044 /nfs/dbraw/zinc/26/20/44/349262044.db2.gz CRQOTWLYUYQVIL-OPRDCNLKSA-N 2 1 211.309 -0.208 20 0 BBADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000308978021 349262040 /nfs/dbraw/zinc/26/20/40/349262040.db2.gz CRQOTWLYUYQVIL-OPRDCNLKSA-N 2 1 211.309 -0.208 20 0 BBADMP C[C@@H]([NH3+])CNC(=O)c1csc(C[NH3+])n1 ZINC000308992184 410194791 /nfs/dbraw/zinc/19/47/91/410194791.db2.gz LLMIZAIGBHAHQG-RXMQYKEDSA-N 2 1 214.294 -0.321 20 0 BBADMP C[C@H]([NH3+])CNC(=O)c1csc(C[NH3+])n1 ZINC000308992185 410194760 /nfs/dbraw/zinc/19/47/60/410194760.db2.gz LLMIZAIGBHAHQG-YFKPBYRVSA-N 2 1 214.294 -0.321 20 0 BBADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H](O)CO)C2)C1 ZINC000308998500 631785587 /nfs/dbraw/zinc/78/55/87/631785587.db2.gz QOTZUSSUNMFUOW-GHMZBOCLSA-N 2 1 214.309 -0.633 20 0 BBADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H](O)CO)C2)C1 ZINC000308998500 631785583 /nfs/dbraw/zinc/78/55/83/631785583.db2.gz QOTZUSSUNMFUOW-GHMZBOCLSA-N 2 1 214.309 -0.633 20 0 BBADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)CO)C2)C1 ZINC000308998500 631785579 /nfs/dbraw/zinc/78/55/79/631785579.db2.gz QOTZUSSUNMFUOW-GHMZBOCLSA-N 2 1 214.309 -0.633 20 0 BBADMP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)CO)C2)C1 ZINC000308998500 631785570 /nfs/dbraw/zinc/78/55/70/631785570.db2.gz QOTZUSSUNMFUOW-GHMZBOCLSA-N 2 1 214.309 -0.633 20 0 BBADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H](O)CO)C2)C1 ZINC000308998501 631785953 /nfs/dbraw/zinc/78/59/53/631785953.db2.gz QOTZUSSUNMFUOW-MNOVXSKESA-N 2 1 214.309 -0.633 20 0 BBADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H](O)CO)C2)C1 ZINC000308998501 631785952 /nfs/dbraw/zinc/78/59/52/631785952.db2.gz QOTZUSSUNMFUOW-MNOVXSKESA-N 2 1 214.309 -0.633 20 0 BBADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H](O)CO)C2)C1 ZINC000308998501 631785947 /nfs/dbraw/zinc/78/59/47/631785947.db2.gz QOTZUSSUNMFUOW-MNOVXSKESA-N 2 1 214.309 -0.633 20 0 BBADMP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H](O)CO)C2)C1 ZINC000308998501 631785944 /nfs/dbraw/zinc/78/59/44/631785944.db2.gz QOTZUSSUNMFUOW-MNOVXSKESA-N 2 1 214.309 -0.633 20 0 BBADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H](O)CO)C2)C1 ZINC000308998502 633838569 /nfs/dbraw/zinc/83/85/69/633838569.db2.gz QOTZUSSUNMFUOW-QWRGUYRKSA-N 2 1 214.309 -0.633 20 0 BBADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H](O)CO)C2)C1 ZINC000308998502 633838567 /nfs/dbraw/zinc/83/85/67/633838567.db2.gz QOTZUSSUNMFUOW-QWRGUYRKSA-N 2 1 214.309 -0.633 20 0 BBADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@H](O)CO)C2)C1 ZINC000308998502 633838563 /nfs/dbraw/zinc/83/85/63/633838563.db2.gz QOTZUSSUNMFUOW-QWRGUYRKSA-N 2 1 214.309 -0.633 20 0 BBADMP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H](O)CO)C2)C1 ZINC000308998502 633838561 /nfs/dbraw/zinc/83/85/61/633838561.db2.gz QOTZUSSUNMFUOW-QWRGUYRKSA-N 2 1 214.309 -0.633 20 0 BBADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H](O)CO)C2)C1 ZINC000308998503 631785249 /nfs/dbraw/zinc/78/52/49/631785249.db2.gz QOTZUSSUNMFUOW-WDEREUQCSA-N 2 1 214.309 -0.633 20 0 BBADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H](O)CO)C2)C1 ZINC000308998503 631785242 /nfs/dbraw/zinc/78/52/42/631785242.db2.gz QOTZUSSUNMFUOW-WDEREUQCSA-N 2 1 214.309 -0.633 20 0 BBADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H](O)CO)C2)C1 ZINC000308998503 631785236 /nfs/dbraw/zinc/78/52/36/631785236.db2.gz QOTZUSSUNMFUOW-WDEREUQCSA-N 2 1 214.309 -0.633 20 0 BBADMP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H](O)CO)C2)C1 ZINC000308998503 631785229 /nfs/dbraw/zinc/78/52/29/631785229.db2.gz QOTZUSSUNMFUOW-WDEREUQCSA-N 2 1 214.309 -0.633 20 0 BBADMP CC(=O)NCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309006896 349285078 /nfs/dbraw/zinc/28/50/78/349285078.db2.gz QFQVGMOXDHSAFG-PHIMTYICSA-N 2 1 211.309 -0.336 20 0 BBADMP CN(CCOCC[NH3+])C1CC[NH2+]CC1 ZINC000309016585 349304940 /nfs/dbraw/zinc/30/49/40/349304940.db2.gz URQBROUAHKBIBF-UHFFFAOYSA-N 2 1 201.314 -0.355 20 0 BBADMP C[N@@H+](CCOCC[NH3+])C1CC[NH2+]CC1 ZINC000309016585 349304937 /nfs/dbraw/zinc/30/49/37/349304937.db2.gz URQBROUAHKBIBF-UHFFFAOYSA-N 3 1 201.314 -0.355 20 0 BBADMP C[N@@H+](CCOCC[NH3+])CC(C)(C)C[NH3+] ZINC000309022132 349305882 /nfs/dbraw/zinc/30/58/82/349305882.db2.gz XSWCHZXZKLMQJP-UHFFFAOYSA-N 3 1 203.330 -0.122 20 0 BBADMP CN1CC[C@H]([N@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000309031822 173149840 /nfs/dbraw/zinc/14/98/40/173149840.db2.gz CFDXBSXWSOGCKZ-GXSJLCMTSA-N 2 1 211.309 -0.112 20 0 BBADMP CN1CC[C@H]([N@@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000309031822 173149838 /nfs/dbraw/zinc/14/98/38/173149838.db2.gz CFDXBSXWSOGCKZ-GXSJLCMTSA-N 2 1 211.309 -0.112 20 0 BBADMP CN1CC[C@@H]([N@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000309031824 173120397 /nfs/dbraw/zinc/12/03/97/173120397.db2.gz CFDXBSXWSOGCKZ-KOLCDFICSA-N 2 1 211.309 -0.112 20 0 BBADMP CN1CC[C@@H]([N@@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000309031824 173120391 /nfs/dbraw/zinc/12/03/91/173120391.db2.gz CFDXBSXWSOGCKZ-KOLCDFICSA-N 2 1 211.309 -0.112 20 0 BBADMP CN1CC[C@@H]([N@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000309031827 173118902 /nfs/dbraw/zinc/11/89/02/173118902.db2.gz CFDXBSXWSOGCKZ-MWLCHTKSSA-N 2 1 211.309 -0.112 20 0 BBADMP CN1CC[C@@H]([N@@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000309031827 173118900 /nfs/dbraw/zinc/11/89/00/173118900.db2.gz CFDXBSXWSOGCKZ-MWLCHTKSSA-N 2 1 211.309 -0.112 20 0 BBADMP CN1CC[C@H]([N@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000309031829 173149826 /nfs/dbraw/zinc/14/98/26/173149826.db2.gz CFDXBSXWSOGCKZ-ONGXEEELSA-N 2 1 211.309 -0.112 20 0 BBADMP CN1CC[C@H]([N@@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000309031829 173149823 /nfs/dbraw/zinc/14/98/23/173149823.db2.gz CFDXBSXWSOGCKZ-ONGXEEELSA-N 2 1 211.309 -0.112 20 0 BBADMP C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309034034 631808403 /nfs/dbraw/zinc/80/84/03/631808403.db2.gz DSVPUHKINZEXHQ-BBBLOLIVSA-N 2 1 211.309 -0.066 20 0 BBADMP C[N@@H+](CCOCC[NH3+])CCn1cncn1 ZINC000309041410 488046994 /nfs/dbraw/zinc/04/69/94/488046994.db2.gz KDRWBVYJMTUZQS-UHFFFAOYSA-N 2 1 213.285 -0.815 20 0 BBADMP OC[C@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000309058519 631833191 /nfs/dbraw/zinc/83/31/91/631833191.db2.gz DDJBLTQRUTYWTR-VXGBXAGGSA-N 2 1 228.336 -0.100 20 0 BBADMP OC[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000309058519 631833188 /nfs/dbraw/zinc/83/31/88/631833188.db2.gz DDJBLTQRUTYWTR-VXGBXAGGSA-N 2 1 228.336 -0.100 20 0 BBADMP OCC[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000309058849 631833136 /nfs/dbraw/zinc/83/31/36/631833136.db2.gz IIHQZDHRUWBNGU-GFCCVEGCSA-N 2 1 228.336 -0.100 20 0 BBADMP OCC[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000309058849 631833133 /nfs/dbraw/zinc/83/31/33/631833133.db2.gz IIHQZDHRUWBNGU-GFCCVEGCSA-N 2 1 228.336 -0.100 20 0 BBADMP OCC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000309058850 631833060 /nfs/dbraw/zinc/83/30/60/631833060.db2.gz IIHQZDHRUWBNGU-LBPRGKRZSA-N 2 1 228.336 -0.100 20 0 BBADMP OCC[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000309058850 631833055 /nfs/dbraw/zinc/83/30/55/631833055.db2.gz IIHQZDHRUWBNGU-LBPRGKRZSA-N 2 1 228.336 -0.100 20 0 BBADMP C[N@@H+](C[C@H](O)C[NH2+]CCCCO)C1CC1 ZINC000309070669 410216765 /nfs/dbraw/zinc/21/67/65/410216765.db2.gz BXMLQGGBEIOYSN-LLVKDONJSA-N 2 1 216.325 -0.196 20 0 BBADMP C[N@H+](C[C@H](O)C[NH2+]CCCCO)C1CC1 ZINC000309070669 410216761 /nfs/dbraw/zinc/21/67/61/410216761.db2.gz BXMLQGGBEIOYSN-LLVKDONJSA-N 2 1 216.325 -0.196 20 0 BBADMP C[N@@H+](C[C@@H](O)C[NH2+]CCCCO)C1CC1 ZINC000309070670 410216267 /nfs/dbraw/zinc/21/62/67/410216267.db2.gz BXMLQGGBEIOYSN-NSHDSACASA-N 2 1 216.325 -0.196 20 0 BBADMP C[N@H+](C[C@@H](O)C[NH2+]CCCCO)C1CC1 ZINC000309070670 410216261 /nfs/dbraw/zinc/21/62/61/410216261.db2.gz BXMLQGGBEIOYSN-NSHDSACASA-N 2 1 216.325 -0.196 20 0 BBADMP [NH3+]CC[N@@H+](CCO)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309075023 631836446 /nfs/dbraw/zinc/83/64/46/631836446.db2.gz JEFUSTBQUIHUGX-ZJUUUORDSA-N 3 1 201.314 -0.633 20 0 BBADMP [NH3+]CC[N@H+](CCO)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309075023 631836442 /nfs/dbraw/zinc/83/64/42/631836442.db2.gz JEFUSTBQUIHUGX-ZJUUUORDSA-N 3 1 201.314 -0.633 20 0 BBADMP NCC[N@@H+](CCO)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309075023 631836436 /nfs/dbraw/zinc/83/64/36/631836436.db2.gz JEFUSTBQUIHUGX-ZJUUUORDSA-N 2 1 201.314 -0.633 20 0 BBADMP NCC[N@H+](CCO)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309075023 631836432 /nfs/dbraw/zinc/83/64/32/631836432.db2.gz JEFUSTBQUIHUGX-ZJUUUORDSA-N 2 1 201.314 -0.633 20 0 BBADMP C[C@H](C[NH3+])NC(=O)c1csc(C[NH3+])n1 ZINC000309087554 259342303 /nfs/dbraw/zinc/34/23/03/259342303.db2.gz ZTVQSLSQZJFDSS-RXMQYKEDSA-N 2 1 214.294 -0.321 20 0 BBADMP C[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000309093049 410860340 /nfs/dbraw/zinc/86/03/40/410860340.db2.gz FOLOUXTWDLCMLB-GHMZBOCLSA-N 2 1 216.325 -0.196 20 0 BBADMP C[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000309093051 410243524 /nfs/dbraw/zinc/24/35/24/410243524.db2.gz FOLOUXTWDLCMLB-MNOVXSKESA-N 2 1 216.325 -0.196 20 0 BBADMP C[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000309093053 349984298 /nfs/dbraw/zinc/98/42/98/349984298.db2.gz FOLOUXTWDLCMLB-QWRGUYRKSA-N 2 1 216.325 -0.196 20 0 BBADMP C[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000309093054 410243919 /nfs/dbraw/zinc/24/39/19/410243919.db2.gz FOLOUXTWDLCMLB-WDEREUQCSA-N 2 1 216.325 -0.196 20 0 BBADMP C[C@@H]1OCC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000309094141 385405624 /nfs/dbraw/zinc/40/56/24/385405624.db2.gz CEDSYLVUMVZQKK-AXFHLTTASA-N 2 1 214.309 -0.180 20 0 BBADMP C[C@@H]1OCC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000309094141 385405621 /nfs/dbraw/zinc/40/56/21/385405621.db2.gz CEDSYLVUMVZQKK-AXFHLTTASA-N 2 1 214.309 -0.180 20 0 BBADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000309094142 385406193 /nfs/dbraw/zinc/40/61/93/385406193.db2.gz CEDSYLVUMVZQKK-DCAQKATOSA-N 2 1 214.309 -0.180 20 0 BBADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000309094142 385406189 /nfs/dbraw/zinc/40/61/89/385406189.db2.gz CEDSYLVUMVZQKK-DCAQKATOSA-N 2 1 214.309 -0.180 20 0 BBADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000309094143 385405127 /nfs/dbraw/zinc/40/51/27/385405127.db2.gz CEDSYLVUMVZQKK-GARJFASQSA-N 2 1 214.309 -0.180 20 0 BBADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000309094143 385405124 /nfs/dbraw/zinc/40/51/24/385405124.db2.gz CEDSYLVUMVZQKK-GARJFASQSA-N 2 1 214.309 -0.180 20 0 BBADMP C[C@@H]1OCC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000309094144 385405596 /nfs/dbraw/zinc/40/55/96/385405596.db2.gz CEDSYLVUMVZQKK-HBNTYKKESA-N 2 1 214.309 -0.180 20 0 BBADMP C[C@@H]1OCC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000309094144 385405594 /nfs/dbraw/zinc/40/55/94/385405594.db2.gz CEDSYLVUMVZQKK-HBNTYKKESA-N 2 1 214.309 -0.180 20 0 BBADMP CN(C[C@@H](O)C[N@H+]1CC[C@@H](O)C1)C1CC1 ZINC000309097280 385407969 /nfs/dbraw/zinc/40/79/69/385407969.db2.gz HILVCZIYLBBSEJ-GHMZBOCLSA-N 2 1 214.309 -0.492 20 0 BBADMP CN(C[C@@H](O)C[N@@H+]1CC[C@@H](O)C1)C1CC1 ZINC000309097280 385407965 /nfs/dbraw/zinc/40/79/65/385407965.db2.gz HILVCZIYLBBSEJ-GHMZBOCLSA-N 2 1 214.309 -0.492 20 0 BBADMP C[N@@H+](C[C@@H](O)CN1CC[C@@H](O)C1)C1CC1 ZINC000309097280 385407962 /nfs/dbraw/zinc/40/79/62/385407962.db2.gz HILVCZIYLBBSEJ-GHMZBOCLSA-N 2 1 214.309 -0.492 20 0 BBADMP CN(C[C@H](O)C[N@H+]1CC[C@@H](O)C1)C1CC1 ZINC000309097282 385407691 /nfs/dbraw/zinc/40/76/91/385407691.db2.gz HILVCZIYLBBSEJ-MNOVXSKESA-N 2 1 214.309 -0.492 20 0 BBADMP CN(C[C@H](O)C[N@@H+]1CC[C@@H](O)C1)C1CC1 ZINC000309097282 385407686 /nfs/dbraw/zinc/40/76/86/385407686.db2.gz HILVCZIYLBBSEJ-MNOVXSKESA-N 2 1 214.309 -0.492 20 0 BBADMP C[N@@H+](C[C@H](O)CN1CC[C@@H](O)C1)C1CC1 ZINC000309097282 385407682 /nfs/dbraw/zinc/40/76/82/385407682.db2.gz HILVCZIYLBBSEJ-MNOVXSKESA-N 2 1 214.309 -0.492 20 0 BBADMP C[C@@H](CCO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309101217 410248664 /nfs/dbraw/zinc/24/86/64/410248664.db2.gz JFROLCSFNHJKQX-GXSJLCMTSA-N 2 1 216.325 -0.198 20 0 BBADMP C[C@@H](CCO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309101217 410248657 /nfs/dbraw/zinc/24/86/57/410248657.db2.gz JFROLCSFNHJKQX-GXSJLCMTSA-N 2 1 216.325 -0.198 20 0 BBADMP C[C@H](CCO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309101218 410249438 /nfs/dbraw/zinc/24/94/38/410249438.db2.gz JFROLCSFNHJKQX-KOLCDFICSA-N 2 1 216.325 -0.198 20 0 BBADMP C[C@H](CCO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309101218 410249431 /nfs/dbraw/zinc/24/94/31/410249431.db2.gz JFROLCSFNHJKQX-KOLCDFICSA-N 2 1 216.325 -0.198 20 0 BBADMP C[C@H](CCO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309101219 410249983 /nfs/dbraw/zinc/24/99/83/410249983.db2.gz JFROLCSFNHJKQX-MWLCHTKSSA-N 2 1 216.325 -0.198 20 0 BBADMP C[C@H](CCO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309101219 410249975 /nfs/dbraw/zinc/24/99/75/410249975.db2.gz JFROLCSFNHJKQX-MWLCHTKSSA-N 2 1 216.325 -0.198 20 0 BBADMP C[C@@H](CCO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309101220 410249855 /nfs/dbraw/zinc/24/98/55/410249855.db2.gz JFROLCSFNHJKQX-ONGXEEELSA-N 2 1 216.325 -0.198 20 0 BBADMP C[C@@H](CCO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309101220 410249849 /nfs/dbraw/zinc/24/98/49/410249849.db2.gz JFROLCSFNHJKQX-ONGXEEELSA-N 2 1 216.325 -0.198 20 0 BBADMP C[C@@H](CO)[N@@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000309105030 385424914 /nfs/dbraw/zinc/42/49/14/385424914.db2.gz LOLFHLGNPKGEKM-GXSJLCMTSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H](CO)[N@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000309105030 385424910 /nfs/dbraw/zinc/42/49/10/385424910.db2.gz LOLFHLGNPKGEKM-GXSJLCMTSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H](CO)N(C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309105030 385424908 /nfs/dbraw/zinc/42/49/08/385424908.db2.gz LOLFHLGNPKGEKM-GXSJLCMTSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H](CO)[N@@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000309105031 385424578 /nfs/dbraw/zinc/42/45/78/385424578.db2.gz LOLFHLGNPKGEKM-KOLCDFICSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H](CO)[N@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000309105031 385424575 /nfs/dbraw/zinc/42/45/75/385424575.db2.gz LOLFHLGNPKGEKM-KOLCDFICSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H](CO)N(C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309105031 385424570 /nfs/dbraw/zinc/42/45/70/385424570.db2.gz LOLFHLGNPKGEKM-KOLCDFICSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H](CO)[N@@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000309105032 385424940 /nfs/dbraw/zinc/42/49/40/385424940.db2.gz LOLFHLGNPKGEKM-MWLCHTKSSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H](CO)[N@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000309105032 385424938 /nfs/dbraw/zinc/42/49/38/385424938.db2.gz LOLFHLGNPKGEKM-MWLCHTKSSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H](CO)N(C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309105032 385424934 /nfs/dbraw/zinc/42/49/34/385424934.db2.gz LOLFHLGNPKGEKM-MWLCHTKSSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H](CO)[N@@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000309105033 385423992 /nfs/dbraw/zinc/42/39/92/385423992.db2.gz LOLFHLGNPKGEKM-ONGXEEELSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H](CO)[N@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000309105033 385423991 /nfs/dbraw/zinc/42/39/91/385423991.db2.gz LOLFHLGNPKGEKM-ONGXEEELSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H](CO)N(C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309105033 385423988 /nfs/dbraw/zinc/42/39/88/385423988.db2.gz LOLFHLGNPKGEKM-ONGXEEELSA-N 2 1 216.325 -0.246 20 0 BBADMP CC[N@@H+](CCO)C[C@H](O)CN(C)C1CC1 ZINC000309110485 385426310 /nfs/dbraw/zinc/42/63/10/385426310.db2.gz NXMKTOJWKWYYAC-LLVKDONJSA-N 2 1 216.325 -0.244 20 0 BBADMP CC[N@H+](CCO)C[C@H](O)CN(C)C1CC1 ZINC000309110485 385426307 /nfs/dbraw/zinc/42/63/07/385426307.db2.gz NXMKTOJWKWYYAC-LLVKDONJSA-N 2 1 216.325 -0.244 20 0 BBADMP CCN(CCO)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309110485 385426305 /nfs/dbraw/zinc/42/63/05/385426305.db2.gz NXMKTOJWKWYYAC-LLVKDONJSA-N 2 1 216.325 -0.244 20 0 BBADMP CC[N@@H+](CCO)C[C@@H](O)CN(C)C1CC1 ZINC000309110486 385426326 /nfs/dbraw/zinc/42/63/26/385426326.db2.gz NXMKTOJWKWYYAC-NSHDSACASA-N 2 1 216.325 -0.244 20 0 BBADMP CC[N@H+](CCO)C[C@@H](O)CN(C)C1CC1 ZINC000309110486 385426323 /nfs/dbraw/zinc/42/63/23/385426323.db2.gz NXMKTOJWKWYYAC-NSHDSACASA-N 2 1 216.325 -0.244 20 0 BBADMP CCN(CCO)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309110486 385426321 /nfs/dbraw/zinc/42/63/21/385426321.db2.gz NXMKTOJWKWYYAC-NSHDSACASA-N 2 1 216.325 -0.244 20 0 BBADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000309131004 350076799 /nfs/dbraw/zinc/07/67/99/350076799.db2.gz QZRBGNKBCKJMDI-NXEZZACHSA-N 3 1 201.314 -0.369 20 0 BBADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000309131005 350076938 /nfs/dbraw/zinc/07/69/38/350076938.db2.gz QZRBGNKBCKJMDI-UWVGGRQHSA-N 3 1 201.314 -0.369 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000309131006 350076769 /nfs/dbraw/zinc/07/67/69/350076769.db2.gz QZRBGNKBCKJMDI-VHSXEESVSA-N 3 1 201.314 -0.369 20 0 BBADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000309131007 350076869 /nfs/dbraw/zinc/07/68/69/350076869.db2.gz QZRBGNKBCKJMDI-ZJUUUORDSA-N 3 1 201.314 -0.369 20 0 BBADMP CC[C@@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309138756 350080445 /nfs/dbraw/zinc/08/04/45/350080445.db2.gz ZYYCQTWQYMMCIV-GXSJLCMTSA-N 2 1 216.325 -0.198 20 0 BBADMP CC[C@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309138758 410260863 /nfs/dbraw/zinc/26/08/63/410260863.db2.gz ZYYCQTWQYMMCIV-KOLCDFICSA-N 2 1 216.325 -0.198 20 0 BBADMP CC[C@H](CO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309138758 410260861 /nfs/dbraw/zinc/26/08/61/410260861.db2.gz ZYYCQTWQYMMCIV-KOLCDFICSA-N 2 1 216.325 -0.198 20 0 BBADMP CC[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309138759 410260523 /nfs/dbraw/zinc/26/05/23/410260523.db2.gz ZYYCQTWQYMMCIV-MWLCHTKSSA-N 2 1 216.325 -0.198 20 0 BBADMP CC[C@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309138759 410260516 /nfs/dbraw/zinc/26/05/16/410260516.db2.gz ZYYCQTWQYMMCIV-MWLCHTKSSA-N 2 1 216.325 -0.198 20 0 BBADMP CC[C@@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309138760 350080221 /nfs/dbraw/zinc/08/02/21/350080221.db2.gz ZYYCQTWQYMMCIV-ONGXEEELSA-N 2 1 216.325 -0.198 20 0 BBADMP Cn1ncc(C[NH2+]CCOCC[NH+](C)C)n1 ZINC000309215832 631969400 /nfs/dbraw/zinc/96/94/00/631969400.db2.gz FNDGCRLHSHBYGR-UHFFFAOYSA-N 2 1 227.312 -0.517 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN(C)CCC[NH3+] ZINC000309223503 633870545 /nfs/dbraw/zinc/87/05/45/633870545.db2.gz HDDFGGRSWMCSAY-LLVKDONJSA-N 2 1 233.356 -0.794 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CN(C)CCC[NH3+] ZINC000309223504 633870880 /nfs/dbraw/zinc/87/08/80/633870880.db2.gz HDDFGGRSWMCSAY-NSHDSACASA-N 2 1 233.356 -0.794 20 0 BBADMP CC[NH+](C)C[C@H](O)CN1CC[N@@H+](C)[C@H](C)C1 ZINC000309233013 632828899 /nfs/dbraw/zinc/82/88/99/632828899.db2.gz IZBVVULJTCJNKB-NEPJUHHUSA-N 2 1 229.368 -0.065 20 0 BBADMP CC[NH+](C)C[C@H](O)CN1CC[N@H+](C)[C@H](C)C1 ZINC000309233013 632828897 /nfs/dbraw/zinc/82/88/97/632828897.db2.gz IZBVVULJTCJNKB-NEPJUHHUSA-N 2 1 229.368 -0.065 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](C)[C@H](C)C1 ZINC000309233013 632828895 /nfs/dbraw/zinc/82/88/95/632828895.db2.gz IZBVVULJTCJNKB-NEPJUHHUSA-N 2 1 229.368 -0.065 20 0 BBADMP CC[NH+](C)C[C@@H](O)CN1CC[N@@H+](C)[C@@H](C)C1 ZINC000309233014 632828978 /nfs/dbraw/zinc/82/89/78/632828978.db2.gz IZBVVULJTCJNKB-NWDGAFQWSA-N 2 1 229.368 -0.065 20 0 BBADMP CC[NH+](C)C[C@@H](O)CN1CC[N@H+](C)[C@@H](C)C1 ZINC000309233014 632828976 /nfs/dbraw/zinc/82/89/76/632828976.db2.gz IZBVVULJTCJNKB-NWDGAFQWSA-N 2 1 229.368 -0.065 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C)[C@@H](C)C1 ZINC000309233014 632828974 /nfs/dbraw/zinc/82/89/74/632828974.db2.gz IZBVVULJTCJNKB-NWDGAFQWSA-N 2 1 229.368 -0.065 20 0 BBADMP CC[NH+](C)C[C@H](O)CN1CC[N@@H+](C)[C@@H](C)C1 ZINC000309233015 632828315 /nfs/dbraw/zinc/82/83/15/632828315.db2.gz IZBVVULJTCJNKB-RYUDHWBXSA-N 2 1 229.368 -0.065 20 0 BBADMP CC[NH+](C)C[C@H](O)CN1CC[N@H+](C)[C@@H](C)C1 ZINC000309233015 632828309 /nfs/dbraw/zinc/82/83/09/632828309.db2.gz IZBVVULJTCJNKB-RYUDHWBXSA-N 2 1 229.368 -0.065 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](C)[C@@H](C)C1 ZINC000309233015 632828306 /nfs/dbraw/zinc/82/83/06/632828306.db2.gz IZBVVULJTCJNKB-RYUDHWBXSA-N 2 1 229.368 -0.065 20 0 BBADMP CC[NH+](C)C[C@@H](O)CN1CC[N@@H+](C)[C@H](C)C1 ZINC000309233016 632827993 /nfs/dbraw/zinc/82/79/93/632827993.db2.gz IZBVVULJTCJNKB-VXGBXAGGSA-N 2 1 229.368 -0.065 20 0 BBADMP CC[NH+](C)C[C@@H](O)CN1CC[N@H+](C)[C@H](C)C1 ZINC000309233016 632827992 /nfs/dbraw/zinc/82/79/92/632827992.db2.gz IZBVVULJTCJNKB-VXGBXAGGSA-N 2 1 229.368 -0.065 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C)[C@H](C)C1 ZINC000309233016 632827991 /nfs/dbraw/zinc/82/79/91/632827991.db2.gz IZBVVULJTCJNKB-VXGBXAGGSA-N 2 1 229.368 -0.065 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CN(C)[C@H](C)C[NH3+] ZINC000309244070 633873711 /nfs/dbraw/zinc/87/37/11/633873711.db2.gz LLZKHVSRTIVZEZ-GHMZBOCLSA-N 2 1 233.356 -0.796 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN(C)[C@H](C)C[NH3+] ZINC000309244072 631979455 /nfs/dbraw/zinc/97/94/55/631979455.db2.gz LLZKHVSRTIVZEZ-MNOVXSKESA-N 2 1 233.356 -0.796 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN(C)[C@@H](C)C[NH3+] ZINC000309244073 633874211 /nfs/dbraw/zinc/87/42/11/633874211.db2.gz LLZKHVSRTIVZEZ-QWRGUYRKSA-N 2 1 233.356 -0.796 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CN(C)[C@@H](C)C[NH3+] ZINC000309244074 631980319 /nfs/dbraw/zinc/98/03/19/631980319.db2.gz LLZKHVSRTIVZEZ-WDEREUQCSA-N 2 1 233.356 -0.796 20 0 BBADMP C[NH2+]CCN(C)C[C@@H](O)C[N@@H+](C)CCOC ZINC000309260631 633876472 /nfs/dbraw/zinc/87/64/72/633876472.db2.gz PCTXDJNRNWXHFR-LLVKDONJSA-N 2 1 233.356 -0.923 20 0 BBADMP C[NH2+]CCN(C)C[C@H](O)C[N@@H+](C)CCOC ZINC000309260632 631982800 /nfs/dbraw/zinc/98/28/00/631982800.db2.gz PCTXDJNRNWXHFR-NSHDSACASA-N 2 1 233.356 -0.923 20 0 BBADMP CCN(CCO)C[C@H](O)C[N@@H+](C)CCOC ZINC000309265549 410692361 /nfs/dbraw/zinc/69/23/61/410692361.db2.gz QAOIUDPORKLVIH-LLVKDONJSA-N 2 1 234.340 -0.760 20 0 BBADMP CCN(CCO)C[C@H](O)C[N@H+](C)CCOC ZINC000309265549 410692354 /nfs/dbraw/zinc/69/23/54/410692354.db2.gz QAOIUDPORKLVIH-LLVKDONJSA-N 2 1 234.340 -0.760 20 0 BBADMP CCN(CCO)C[C@@H](O)C[N@@H+](C)CCOC ZINC000309265551 410691776 /nfs/dbraw/zinc/69/17/76/410691776.db2.gz QAOIUDPORKLVIH-NSHDSACASA-N 2 1 234.340 -0.760 20 0 BBADMP CCN(CCO)C[C@@H](O)C[N@H+](C)CCOC ZINC000309265551 410691771 /nfs/dbraw/zinc/69/17/71/410691771.db2.gz QAOIUDPORKLVIH-NSHDSACASA-N 2 1 234.340 -0.760 20 0 BBADMP CC[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)CCOC ZINC000309267573 633878985 /nfs/dbraw/zinc/87/89/85/633878985.db2.gz QLUUHQCQLKMWKB-GHMZBOCLSA-N 2 1 234.340 -0.714 20 0 BBADMP CC[C@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)CCOC ZINC000309267573 633878982 /nfs/dbraw/zinc/87/89/82/633878982.db2.gz QLUUHQCQLKMWKB-GHMZBOCLSA-N 2 1 234.340 -0.714 20 0 BBADMP CC[C@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)CCOC ZINC000309267574 631980041 /nfs/dbraw/zinc/98/00/41/631980041.db2.gz QLUUHQCQLKMWKB-MNOVXSKESA-N 2 1 234.340 -0.714 20 0 BBADMP CC[C@H](CO)[NH2+]C[C@H](O)C[N@H+](C)CCOC ZINC000309267574 631980036 /nfs/dbraw/zinc/98/00/36/631980036.db2.gz QLUUHQCQLKMWKB-MNOVXSKESA-N 2 1 234.340 -0.714 20 0 BBADMP CC[C@@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)CCOC ZINC000309267575 631979155 /nfs/dbraw/zinc/97/91/55/631979155.db2.gz QLUUHQCQLKMWKB-QWRGUYRKSA-N 2 1 234.340 -0.714 20 0 BBADMP CC[C@@H](CO)[NH2+]C[C@H](O)C[N@H+](C)CCOC ZINC000309267575 631979148 /nfs/dbraw/zinc/97/91/48/631979148.db2.gz QLUUHQCQLKMWKB-QWRGUYRKSA-N 2 1 234.340 -0.714 20 0 BBADMP CC[C@@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)CCOC ZINC000309267576 631979580 /nfs/dbraw/zinc/97/95/80/631979580.db2.gz QLUUHQCQLKMWKB-WDEREUQCSA-N 2 1 234.340 -0.714 20 0 BBADMP CC[C@@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)CCOC ZINC000309267576 631979575 /nfs/dbraw/zinc/97/95/75/631979575.db2.gz QLUUHQCQLKMWKB-WDEREUQCSA-N 2 1 234.340 -0.714 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)CN(C)CCOCCO ZINC000309270715 350248457 /nfs/dbraw/zinc/24/84/57/350248457.db2.gz QZSWEMUUDAPUMN-LLVKDONJSA-N 2 1 234.340 -0.760 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN(C)CCOCCO ZINC000309270716 350248545 /nfs/dbraw/zinc/24/85/45/350248545.db2.gz QZSWEMUUDAPUMN-NSHDSACASA-N 2 1 234.340 -0.760 20 0 BBADMP C[N@@H+](C[C@@H](O)CN1CCC[C@H]1CO)C1CC1 ZINC000309273807 384873936 /nfs/dbraw/zinc/87/39/36/384873936.db2.gz SKVFCUXVSLYLRX-NWDGAFQWSA-N 2 1 228.336 -0.102 20 0 BBADMP CN(C[C@H](O)C[N@H+]1CCC[C@H]1CO)C1CC1 ZINC000309273809 385508415 /nfs/dbraw/zinc/50/84/15/385508415.db2.gz SKVFCUXVSLYLRX-RYUDHWBXSA-N 2 1 228.336 -0.102 20 0 BBADMP NCC[N@@H+](CCO)CCC1CC[NH2+]CC1 ZINC000309273949 350253847 /nfs/dbraw/zinc/25/38/47/350253847.db2.gz DLKIHMRIGLZBCQ-UHFFFAOYSA-N 3 1 215.341 -0.371 20 0 BBADMP NCC[N@H+](CCO)CCC1CC[NH2+]CC1 ZINC000309273949 350253844 /nfs/dbraw/zinc/25/38/44/350253844.db2.gz DLKIHMRIGLZBCQ-UHFFFAOYSA-N 2 1 215.341 -0.371 20 0 BBADMP COCCN(C)CC(O)C[N@@H+](C)CCOC ZINC000309289902 385516616 /nfs/dbraw/zinc/51/66/16/385516616.db2.gz VMYHRTLZHMLHGU-UHFFFAOYSA-N 2 1 234.340 -0.496 20 0 BBADMP CCN(CC[NH3+])C[C@H](O)C[N@@H+](C)CCOC ZINC000309289974 631994771 /nfs/dbraw/zinc/99/47/71/631994771.db2.gz VOCVYGVCCQNTBQ-LLVKDONJSA-N 2 1 233.356 -0.794 20 0 BBADMP CCN(CC[NH3+])C[C@@H](O)C[N@@H+](C)CCOC ZINC000309289976 632893515 /nfs/dbraw/zinc/89/35/15/632893515.db2.gz VOCVYGVCCQNTBQ-NSHDSACASA-N 2 1 233.356 -0.794 20 0 BBADMP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000309292998 385513171 /nfs/dbraw/zinc/51/31/71/385513171.db2.gz QRLVWGPQNZETTR-BDAKNGLRSA-N 2 1 215.297 -0.926 20 0 BBADMP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1COCC[NH2+]1 ZINC000309292999 385513211 /nfs/dbraw/zinc/51/32/11/385513211.db2.gz QRLVWGPQNZETTR-DTWKUNHWSA-N 2 1 215.297 -0.926 20 0 BBADMP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000309293000 385513319 /nfs/dbraw/zinc/51/33/19/385513319.db2.gz QRLVWGPQNZETTR-IUCAKERBSA-N 2 1 215.297 -0.926 20 0 BBADMP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1COCC[NH2+]1 ZINC000309293001 385514518 /nfs/dbraw/zinc/51/45/18/385514518.db2.gz QRLVWGPQNZETTR-RKDXNWHRSA-N 2 1 215.297 -0.926 20 0 BBADMP CC[NH+](C)C[C@@H](O)CN1CCC[N@@H+](C)CC1 ZINC000309294927 350270143 /nfs/dbraw/zinc/27/01/43/350270143.db2.gz WTCMZSYKQPMWLX-GFCCVEGCSA-N 2 1 229.368 -0.064 20 0 BBADMP CC[NH+](C)C[C@@H](O)CN1CCC[N@H+](C)CC1 ZINC000309294927 350270141 /nfs/dbraw/zinc/27/01/41/350270141.db2.gz WTCMZSYKQPMWLX-GFCCVEGCSA-N 2 1 229.368 -0.064 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[NH+](C)CC1 ZINC000309294927 350270139 /nfs/dbraw/zinc/27/01/39/350270139.db2.gz WTCMZSYKQPMWLX-GFCCVEGCSA-N 2 1 229.368 -0.064 20 0 BBADMP CC[NH+](C)C[C@H](O)CN1CCC[N@@H+](C)CC1 ZINC000309294928 350269747 /nfs/dbraw/zinc/26/97/47/350269747.db2.gz WTCMZSYKQPMWLX-LBPRGKRZSA-N 2 1 229.368 -0.064 20 0 BBADMP CC[NH+](C)C[C@H](O)CN1CCC[N@H+](C)CC1 ZINC000309294928 350269745 /nfs/dbraw/zinc/26/97/45/350269745.db2.gz WTCMZSYKQPMWLX-LBPRGKRZSA-N 2 1 229.368 -0.064 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1CCC[NH+](C)CC1 ZINC000309294928 350269741 /nfs/dbraw/zinc/26/97/41/350269741.db2.gz WTCMZSYKQPMWLX-LBPRGKRZSA-N 2 1 229.368 -0.064 20 0 BBADMP C[C@H](CNC(=O)C[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000309318605 410823529 /nfs/dbraw/zinc/82/35/29/410823529.db2.gz ZRLDALPULFMGBU-BBBLOLIVSA-N 2 1 229.324 -0.441 20 0 BBADMP C[C@H](CNC(=O)C[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000309318605 410823521 /nfs/dbraw/zinc/82/35/21/410823521.db2.gz ZRLDALPULFMGBU-BBBLOLIVSA-N 2 1 229.324 -0.441 20 0 BBADMP C[C@@H](CNC(=O)C[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000309318607 410922817 /nfs/dbraw/zinc/92/28/17/410922817.db2.gz ZRLDALPULFMGBU-LPEHRKFASA-N 2 1 229.324 -0.441 20 0 BBADMP C[C@@H](CNC(=O)C[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000309318607 410922813 /nfs/dbraw/zinc/92/28/13/410922813.db2.gz ZRLDALPULFMGBU-LPEHRKFASA-N 2 1 229.324 -0.441 20 0 BBADMP C[C@H](CC(=O)N(C)C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000309323058 385531072 /nfs/dbraw/zinc/53/10/72/385531072.db2.gz HINDPGRVSXNPRC-NXEZZACHSA-N 2 1 231.340 -0.635 20 0 BBADMP C[C@@H](CC(=O)N(C)C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000309323060 385014899 /nfs/dbraw/zinc/01/48/99/385014899.db2.gz HINDPGRVSXNPRC-UWVGGRQHSA-N 2 1 231.340 -0.635 20 0 BBADMP C[C@@H](CC(=O)N(C)C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000309323061 385530993 /nfs/dbraw/zinc/53/09/93/385530993.db2.gz HINDPGRVSXNPRC-VHSXEESVSA-N 2 1 231.340 -0.635 20 0 BBADMP C[C@H](CC(=O)N(C)C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000309323062 385530265 /nfs/dbraw/zinc/53/02/65/385530265.db2.gz HINDPGRVSXNPRC-ZJUUUORDSA-N 2 1 231.340 -0.635 20 0 BBADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cn[nH]c1 ZINC000309345256 411106919 /nfs/dbraw/zinc/10/69/19/411106919.db2.gz YPWRHHDEOPPXQE-UHFFFAOYSA-N 2 1 223.324 -0.253 20 0 BBADMP c1ncn(CC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)n1 ZINC000309357925 633901124 /nfs/dbraw/zinc/90/11/24/633901124.db2.gz NQNYZCOTPHXNDQ-WDEREUQCSA-N 2 1 221.308 -0.181 20 0 BBADMP CN1CC[C@H]([N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000309369115 350354181 /nfs/dbraw/zinc/35/41/81/350354181.db2.gz PAGVPFKMQGLMFG-AXFHLTTASA-N 2 1 223.320 -0.242 20 0 BBADMP CN1CC[C@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000309369115 350354178 /nfs/dbraw/zinc/35/41/78/350354178.db2.gz PAGVPFKMQGLMFG-AXFHLTTASA-N 2 1 223.320 -0.242 20 0 BBADMP CN1CC[C@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000309369117 350354462 /nfs/dbraw/zinc/35/44/62/350354462.db2.gz PAGVPFKMQGLMFG-DCAQKATOSA-N 2 1 223.320 -0.242 20 0 BBADMP CN1CC[C@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000309369117 350354461 /nfs/dbraw/zinc/35/44/61/350354461.db2.gz PAGVPFKMQGLMFG-DCAQKATOSA-N 2 1 223.320 -0.242 20 0 BBADMP CN1CC[C@H]([N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000309369120 350354202 /nfs/dbraw/zinc/35/42/02/350354202.db2.gz PAGVPFKMQGLMFG-MXWKQRLJSA-N 2 1 223.320 -0.242 20 0 BBADMP CN1CC[C@H]([N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000309369120 350354198 /nfs/dbraw/zinc/35/41/98/350354198.db2.gz PAGVPFKMQGLMFG-MXWKQRLJSA-N 2 1 223.320 -0.242 20 0 BBADMP CN1CC[C@H]([N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000309369122 350354527 /nfs/dbraw/zinc/35/45/27/350354527.db2.gz PAGVPFKMQGLMFG-VWYCJHECSA-N 2 1 223.320 -0.242 20 0 BBADMP CN1CC[C@H]([N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000309369122 350354524 /nfs/dbraw/zinc/35/45/24/350354524.db2.gz PAGVPFKMQGLMFG-VWYCJHECSA-N 2 1 223.320 -0.242 20 0 BBADMP COC[C@H](O)CNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309382126 350361615 /nfs/dbraw/zinc/36/16/15/350361615.db2.gz GPIMKXNXXRHFTP-GHMZBOCLSA-N 2 1 232.324 -0.962 20 0 BBADMP COC[C@H](O)CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000309382126 350361611 /nfs/dbraw/zinc/36/16/11/350361611.db2.gz GPIMKXNXXRHFTP-GHMZBOCLSA-N 2 1 232.324 -0.962 20 0 BBADMP COC[C@H](O)CNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000309382130 350361594 /nfs/dbraw/zinc/36/15/94/350361594.db2.gz GPIMKXNXXRHFTP-WDEREUQCSA-N 2 1 232.324 -0.962 20 0 BBADMP COC[C@H](O)CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000309382130 350361591 /nfs/dbraw/zinc/36/15/91/350361591.db2.gz GPIMKXNXXRHFTP-WDEREUQCSA-N 2 1 232.324 -0.962 20 0 BBADMP C[N@@H+](C[C@@H](O)CN1CC[NH+](C)CC1)C1CC1 ZINC000309388296 173085346 /nfs/dbraw/zinc/08/53/46/173085346.db2.gz HGDRGYFSVFDYIS-GFCCVEGCSA-N 2 1 227.352 -0.311 20 0 BBADMP C[N@@H+](C[C@H](O)CN1CC[NH+](C)CC1)C1CC1 ZINC000309388300 173084556 /nfs/dbraw/zinc/08/45/56/173084556.db2.gz HGDRGYFSVFDYIS-LBPRGKRZSA-N 2 1 227.352 -0.311 20 0 BBADMP CNS(=O)(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000309395543 385561854 /nfs/dbraw/zinc/56/18/54/385561854.db2.gz GNPHITYKJPKLFZ-UHFFFAOYSA-N 2 1 235.353 -0.651 20 0 BBADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@@H](O)c1ccccc1 ZINC000309395699 633009665 /nfs/dbraw/zinc/00/96/65/633009665.db2.gz VHRFLNVMEKCDQM-NWDGAFQWSA-N 2 1 224.304 -0.029 20 0 BBADMP C[N@H+](C[C@@H](O)C[NH3+])C[C@@H](O)c1ccccc1 ZINC000309395699 633009658 /nfs/dbraw/zinc/00/96/58/633009658.db2.gz VHRFLNVMEKCDQM-NWDGAFQWSA-N 2 1 224.304 -0.029 20 0 BBADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H](O)c1ccccc1 ZINC000309395704 632024061 /nfs/dbraw/zinc/02/40/61/632024061.db2.gz VHRFLNVMEKCDQM-VXGBXAGGSA-N 2 1 224.304 -0.029 20 0 BBADMP C[N@H+](C[C@H](O)C[NH3+])C[C@@H](O)c1ccccc1 ZINC000309395704 632024058 /nfs/dbraw/zinc/02/40/58/632024058.db2.gz VHRFLNVMEKCDQM-VXGBXAGGSA-N 2 1 224.304 -0.029 20 0 BBADMP CSCC[C@H]([NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000309398869 323372587 /nfs/dbraw/zinc/37/25/87/323372587.db2.gz HACBULSZBSWIKS-LURJTMIESA-N 2 1 241.307 -0.223 20 0 BBADMP CSCC[C@@H]([NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000309398870 323372522 /nfs/dbraw/zinc/37/25/22/323372522.db2.gz HACBULSZBSWIKS-ZCFIWIBFSA-N 2 1 241.307 -0.223 20 0 BBADMP C[C@]1(C(=O)NCC(F)(F)C[NH3+])CCC[NH2+]1 ZINC000309412986 350376423 /nfs/dbraw/zinc/37/64/23/350376423.db2.gz IVAYYTSBBMECBF-MRVPVSSYSA-N 2 1 221.251 -0.161 20 0 BBADMP C[C@@]1(C(=O)NCC(F)(F)C[NH3+])CCC[NH2+]1 ZINC000309412989 350376299 /nfs/dbraw/zinc/37/62/99/350376299.db2.gz IVAYYTSBBMECBF-QMMMGPOBSA-N 2 1 221.251 -0.161 20 0 BBADMP CN1CC[N@@H+](C)C[C@H]1CNCc1cn[nH]c1 ZINC000309417394 350379044 /nfs/dbraw/zinc/37/90/44/350379044.db2.gz CVWCAXPWERIDRK-LLVKDONJSA-N 2 1 223.324 -0.255 20 0 BBADMP CN1CC[N@H+](C)C[C@H]1CNCc1cn[nH]c1 ZINC000309417394 350379039 /nfs/dbraw/zinc/37/90/39/350379039.db2.gz CVWCAXPWERIDRK-LLVKDONJSA-N 2 1 223.324 -0.255 20 0 BBADMP [NH3+]CCCC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000309418080 181371619 /nfs/dbraw/zinc/37/16/19/181371619.db2.gz XPJILBVDMCAIBD-SSDOTTSWSA-N 2 1 221.251 -0.209 20 0 BBADMP [NH3+]CCCC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000309418083 181371746 /nfs/dbraw/zinc/37/17/46/181371746.db2.gz XPJILBVDMCAIBD-ZETCQYMHSA-N 2 1 221.251 -0.209 20 0 BBADMP CN1CC[C@H]([N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1=O ZINC000309440246 633074671 /nfs/dbraw/zinc/07/46/71/633074671.db2.gz NXLGWLZYLKVZBE-AXFHLTTASA-N 2 1 223.320 -0.242 20 0 BBADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000309455575 386516227 /nfs/dbraw/zinc/51/62/27/386516227.db2.gz NNVSRBQBMVIFJW-CIUDSAMLSA-N 2 1 229.349 -0.155 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000309455577 347066870 /nfs/dbraw/zinc/06/68/70/347066870.db2.gz NNVSRBQBMVIFJW-DJLDLDEBSA-N 2 1 229.349 -0.155 20 0 BBADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000309455578 347066918 /nfs/dbraw/zinc/06/69/18/347066918.db2.gz NNVSRBQBMVIFJW-HRDYMLBCSA-N 2 1 229.349 -0.155 20 0 BBADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000309455579 347067198 /nfs/dbraw/zinc/06/71/98/347067198.db2.gz NNVSRBQBMVIFJW-IWSPIJDZSA-N 2 1 229.349 -0.155 20 0 BBADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000309455580 350513892 /nfs/dbraw/zinc/51/38/92/350513892.db2.gz NNVSRBQBMVIFJW-XHNCKOQMSA-N 2 1 229.349 -0.155 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000309455581 350513967 /nfs/dbraw/zinc/51/39/67/350513967.db2.gz NNVSRBQBMVIFJW-YIZRAAEISA-N 2 1 229.349 -0.155 20 0 BBADMP C[N@H+]1CC[C@@](O)(C[NH2+]CC2=CCCOC2)C1 ZINC000309464492 173138638 /nfs/dbraw/zinc/13/86/38/173138638.db2.gz OYECGCIXHBNKIQ-GFCCVEGCSA-N 2 1 226.320 -0.011 20 0 BBADMP C[N@@H+]1CC[C@@](O)(C[NH2+]CC2=CCCOC2)C1 ZINC000309464492 173138636 /nfs/dbraw/zinc/13/86/36/173138636.db2.gz OYECGCIXHBNKIQ-GFCCVEGCSA-N 2 1 226.320 -0.011 20 0 BBADMP C[N@H+]1CC[C@](O)(C[NH2+]CC2=CCCOC2)C1 ZINC000309464494 173164466 /nfs/dbraw/zinc/16/44/66/173164466.db2.gz OYECGCIXHBNKIQ-LBPRGKRZSA-N 2 1 226.320 -0.011 20 0 BBADMP CN(C[C@@H](O)C[N@@H+](CCO)C1CC1)C1CC1 ZINC000309465151 385595611 /nfs/dbraw/zinc/59/56/11/385595611.db2.gz SOCADASDJQWLOI-GFCCVEGCSA-N 2 1 228.336 -0.102 20 0 BBADMP CN(C[C@@H](O)C[N@H+](CCO)C1CC1)C1CC1 ZINC000309465151 385595610 /nfs/dbraw/zinc/59/56/10/385595610.db2.gz SOCADASDJQWLOI-GFCCVEGCSA-N 2 1 228.336 -0.102 20 0 BBADMP C[N@@H+](C[C@@H](O)CN(CCO)C1CC1)C1CC1 ZINC000309465151 385595608 /nfs/dbraw/zinc/59/56/08/385595608.db2.gz SOCADASDJQWLOI-GFCCVEGCSA-N 2 1 228.336 -0.102 20 0 BBADMP CN(C[C@H](O)C[N@@H+](CCO)C1CC1)C1CC1 ZINC000309465153 385595207 /nfs/dbraw/zinc/59/52/07/385595207.db2.gz SOCADASDJQWLOI-LBPRGKRZSA-N 2 1 228.336 -0.102 20 0 BBADMP CN(C[C@H](O)C[N@H+](CCO)C1CC1)C1CC1 ZINC000309465153 385595204 /nfs/dbraw/zinc/59/52/04/385595204.db2.gz SOCADASDJQWLOI-LBPRGKRZSA-N 2 1 228.336 -0.102 20 0 BBADMP C[N@@H+](C[C@H](O)CN(CCO)C1CC1)C1CC1 ZINC000309465153 385595201 /nfs/dbraw/zinc/59/52/01/385595201.db2.gz SOCADASDJQWLOI-LBPRGKRZSA-N 2 1 228.336 -0.102 20 0 BBADMP C[N@@H+](C[C@@H](O)CN1CCC(O)CC1)C1CC1 ZINC000309465789 385595946 /nfs/dbraw/zinc/59/59/46/385595946.db2.gz SSTSRKFBEFAHCL-GFCCVEGCSA-N 2 1 228.336 -0.102 20 0 BBADMP C[N@@H+](C[C@H](O)CN1CCC(O)CC1)C1CC1 ZINC000309466139 385595001 /nfs/dbraw/zinc/59/50/01/385595001.db2.gz SSTSRKFBEFAHCL-LBPRGKRZSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@H]1CN(C(=O)[C@H]2CSC[NH2+]2)CC[C@H]1[NH3+] ZINC000309474236 385602473 /nfs/dbraw/zinc/60/24/73/385602473.db2.gz RODGREUQZMBGGG-DJLDLDEBSA-N 2 1 229.349 -0.155 20 0 BBADMP C[C@@H]1CN(C(=O)[C@H]2CSC[NH2+]2)CC[C@@H]1[NH3+] ZINC000309474238 385603723 /nfs/dbraw/zinc/60/37/23/385603723.db2.gz RODGREUQZMBGGG-HRDYMLBCSA-N 2 1 229.349 -0.155 20 0 BBADMP C[C@@H]1CN(C(=O)[C@H]2CSC[NH2+]2)CC[C@H]1[NH3+] ZINC000309474240 385602551 /nfs/dbraw/zinc/60/25/51/385602551.db2.gz RODGREUQZMBGGG-IWSPIJDZSA-N 2 1 229.349 -0.155 20 0 BBADMP C[C@H]1CN(C(=O)[C@H]2CSC[NH2+]2)CC[C@@H]1[NH3+] ZINC000309474242 385602843 /nfs/dbraw/zinc/60/28/43/385602843.db2.gz RODGREUQZMBGGG-XHNCKOQMSA-N 2 1 229.349 -0.155 20 0 BBADMP C[C@@H](C[NH+](C)C)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309481231 411498621 /nfs/dbraw/zinc/49/86/21/411498621.db2.gz VZLDIVYGGOTFGS-CMPLNLGQSA-N 2 1 229.368 -0.019 20 0 BBADMP C[C@@H](C[NH+](C)C)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000309481233 411499236 /nfs/dbraw/zinc/49/92/36/411499236.db2.gz VZLDIVYGGOTFGS-JQWIXIFHSA-N 2 1 229.368 -0.019 20 0 BBADMP C[N@@H+](C[C@H](O)C[NH2+]CC1(CO)CC1)C1CC1 ZINC000309483485 411499106 /nfs/dbraw/zinc/49/91/06/411499106.db2.gz WKTJVKHWVGSBFU-LLVKDONJSA-N 2 1 228.336 -0.196 20 0 BBADMP C[N@H+](C[C@H](O)C[NH2+]CC1(CO)CC1)C1CC1 ZINC000309483485 411499102 /nfs/dbraw/zinc/49/91/02/411499102.db2.gz WKTJVKHWVGSBFU-LLVKDONJSA-N 2 1 228.336 -0.196 20 0 BBADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1(CO)CC1)C1CC1 ZINC000309483489 411499150 /nfs/dbraw/zinc/49/91/50/411499150.db2.gz WKTJVKHWVGSBFU-NSHDSACASA-N 2 1 228.336 -0.196 20 0 BBADMP C[N@H+](C[C@@H](O)C[NH2+]CC1(CO)CC1)C1CC1 ZINC000309483489 411499149 /nfs/dbraw/zinc/49/91/49/411499149.db2.gz WKTJVKHWVGSBFU-NSHDSACASA-N 2 1 228.336 -0.196 20 0 BBADMP C[N@H+]1CC[C@@](O)(CNC2CC[NH+](C)CC2)C1 ZINC000309485464 385614178 /nfs/dbraw/zinc/61/41/78/385614178.db2.gz VFUZOCZXJGCMEA-GFCCVEGCSA-N 2 1 227.352 -0.263 20 0 BBADMP C[N@H+]1CC[C@](O)(CNC2CC[NH+](C)CC2)C1 ZINC000309485465 385612904 /nfs/dbraw/zinc/61/29/04/385612904.db2.gz VFUZOCZXJGCMEA-LBPRGKRZSA-N 2 1 227.352 -0.263 20 0 BBADMP C[C@@]1(C[N@@H+](CCO)CCCO)CC[NH2+]C1 ZINC000309485835 385614166 /nfs/dbraw/zinc/61/41/66/385614166.db2.gz GILFSGCQXKJKDH-LLVKDONJSA-N 2 1 216.325 -0.337 20 0 BBADMP C[C@]1(C[N@@H+](CCO)CCCO)CC[NH2+]C1 ZINC000309485836 385614149 /nfs/dbraw/zinc/61/41/49/385614149.db2.gz GILFSGCQXKJKDH-NSHDSACASA-N 2 1 216.325 -0.337 20 0 BBADMP O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1CSC[NH2+]1 ZINC000309488266 411498430 /nfs/dbraw/zinc/49/84/30/411498430.db2.gz HLNPQNBVMPULTC-BDAKNGLRSA-N 2 1 229.349 -0.093 20 0 BBADMP O=C(N[C@H]1CCC[NH2+]CC1)[C@H]1CSC[NH2+]1 ZINC000309488268 411498571 /nfs/dbraw/zinc/49/85/71/411498571.db2.gz HLNPQNBVMPULTC-DTWKUNHWSA-N 2 1 229.349 -0.093 20 0 BBADMP O=C(N[C@H]1CCC[NH2+]CC1)[C@@H]1CSC[NH2+]1 ZINC000309488270 411499331 /nfs/dbraw/zinc/49/93/31/411499331.db2.gz HLNPQNBVMPULTC-IUCAKERBSA-N 2 1 229.349 -0.093 20 0 BBADMP O=C(N[C@@H]1CCC[NH2+]CC1)[C@H]1CSC[NH2+]1 ZINC000309488272 411498962 /nfs/dbraw/zinc/49/89/62/411498962.db2.gz HLNPQNBVMPULTC-RKDXNWHRSA-N 2 1 229.349 -0.093 20 0 BBADMP C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1CSC[NH2+]1 ZINC000309492680 387806363 /nfs/dbraw/zinc/80/63/63/387806363.db2.gz JBRXGQPEJXZKSH-DJLDLDEBSA-N 2 1 229.349 -0.237 20 0 BBADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CSC[NH2+]1 ZINC000309492681 487887890 /nfs/dbraw/zinc/88/78/90/487887890.db2.gz JBRXGQPEJXZKSH-HLTSFMKQSA-N 2 1 229.349 -0.237 20 0 BBADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CSC[NH2+]1 ZINC000309492682 387806737 /nfs/dbraw/zinc/80/67/37/387806737.db2.gz JBRXGQPEJXZKSH-HRDYMLBCSA-N 2 1 229.349 -0.237 20 0 BBADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1CSC[NH2+]1 ZINC000309492683 387807640 /nfs/dbraw/zinc/80/76/40/387807640.db2.gz JBRXGQPEJXZKSH-IWSPIJDZSA-N 2 1 229.349 -0.237 20 0 BBADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CSC[NH2+]1 ZINC000309492684 487887463 /nfs/dbraw/zinc/88/74/63/487887463.db2.gz JBRXGQPEJXZKSH-VGMNWLOBSA-N 2 1 229.349 -0.237 20 0 BBADMP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CSC[NH2+]1 ZINC000309492685 323416915 /nfs/dbraw/zinc/41/69/15/323416915.db2.gz JBRXGQPEJXZKSH-XHNCKOQMSA-N 2 1 229.349 -0.237 20 0 BBADMP C[C@H]([NH3+])CC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000309493802 633929359 /nfs/dbraw/zinc/92/93/59/633929359.db2.gz SUECDSSULREGIT-BQBZGAKWSA-N 2 1 221.251 -0.211 20 0 BBADMP C[C@H]([NH3+])CC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000309493803 632420960 /nfs/dbraw/zinc/42/09/60/632420960.db2.gz SUECDSSULREGIT-NKWVEPMBSA-N 2 1 221.251 -0.211 20 0 BBADMP C[C@@H]([NH3+])CC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000309493805 633178797 /nfs/dbraw/zinc/17/87/97/633178797.db2.gz SUECDSSULREGIT-RNFRBKRXSA-N 2 1 221.251 -0.211 20 0 BBADMP C[C@@H]([NH3+])CC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000309493807 633178854 /nfs/dbraw/zinc/17/88/54/633178854.db2.gz SUECDSSULREGIT-RQJHMYQMSA-N 2 1 221.251 -0.211 20 0 BBADMP C[NH2+]CC(=O)NCCCn1cc[nH+]c1C ZINC000309504127 173328695 /nfs/dbraw/zinc/32/86/95/173328695.db2.gz MKVHGPAPQOKERD-UHFFFAOYSA-N 2 1 210.281 -0.083 20 0 BBADMP CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000309518839 385651333 /nfs/dbraw/zinc/65/13/33/385651333.db2.gz ZLMCYFCAXSFRBD-BQBZGAKWSA-N 2 1 221.251 -0.211 20 0 BBADMP CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000309518840 385651893 /nfs/dbraw/zinc/65/18/93/385651893.db2.gz ZLMCYFCAXSFRBD-NKWVEPMBSA-N 2 1 221.251 -0.211 20 0 BBADMP CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000309518841 259343161 /nfs/dbraw/zinc/34/31/61/259343161.db2.gz ZLMCYFCAXSFRBD-RNFRBKRXSA-N 2 1 221.251 -0.211 20 0 BBADMP CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000309518843 259343593 /nfs/dbraw/zinc/34/35/93/259343593.db2.gz ZLMCYFCAXSFRBD-RQJHMYQMSA-N 2 1 221.251 -0.211 20 0 BBADMP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000309525252 370222165 /nfs/dbraw/zinc/22/21/65/370222165.db2.gz UUQORANVAIYPPM-BDAKNGLRSA-N 2 1 229.349 -0.283 20 0 BBADMP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000309525256 370222386 /nfs/dbraw/zinc/22/23/86/370222386.db2.gz UUQORANVAIYPPM-DTWKUNHWSA-N 2 1 229.349 -0.283 20 0 BBADMP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000309525259 370222249 /nfs/dbraw/zinc/22/22/49/370222249.db2.gz UUQORANVAIYPPM-IUCAKERBSA-N 2 1 229.349 -0.283 20 0 BBADMP C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000309525262 370221721 /nfs/dbraw/zinc/22/17/21/370221721.db2.gz UUQORANVAIYPPM-RKDXNWHRSA-N 2 1 229.349 -0.283 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)[C@@H]([NH3+])CC(F)F ZINC000309546537 411169051 /nfs/dbraw/zinc/16/90/51/411169051.db2.gz IJRWEFPWFKQOGA-BYPYZUCNSA-N 2 1 231.193 -0.321 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)[C@H]([NH3+])CC(F)F ZINC000309546539 411169463 /nfs/dbraw/zinc/16/94/63/411169463.db2.gz IJRWEFPWFKQOGA-SCSAIBSYSA-N 2 1 231.193 -0.321 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000309560060 632496101 /nfs/dbraw/zinc/49/61/01/632496101.db2.gz OGAWGVDSVNUDAC-SSDOTTSWSA-N 2 1 221.251 -0.176 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)C[C@H]([NH3+])C1CC1 ZINC000309560061 632494657 /nfs/dbraw/zinc/49/46/57/632494657.db2.gz OGAWGVDSVNUDAC-ZETCQYMHSA-N 2 1 221.251 -0.176 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000309563984 411174311 /nfs/dbraw/zinc/17/43/11/411174311.db2.gz PWHVEZNNEAMLFS-SSDOTTSWSA-N 2 1 221.251 -0.304 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000309563990 411174426 /nfs/dbraw/zinc/17/44/26/411174426.db2.gz PWHVEZNNEAMLFS-ZETCQYMHSA-N 2 1 221.251 -0.304 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)CC1([NH3+])CCC1 ZINC000309581710 487990586 /nfs/dbraw/zinc/99/05/86/487990586.db2.gz SROYUWAYZBXIMZ-UHFFFAOYSA-N 2 1 221.251 -0.032 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000309584785 490358287 /nfs/dbraw/zinc/35/82/87/490358287.db2.gz UWHVWJUWROCEDG-ZMONIFLSSA-N 2 1 219.235 -0.838 20 0 BBADMP [NH3+]C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000309588853 326160998 /nfs/dbraw/zinc/16/09/98/326160998.db2.gz XUCBSPQOJOTNSL-LLVKDONJSA-N 3 1 213.325 -0.355 20 0 BBADMP [NH3+]C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000309588853 326160995 /nfs/dbraw/zinc/16/09/95/326160995.db2.gz XUCBSPQOJOTNSL-LLVKDONJSA-N 3 1 213.325 -0.355 20 0 BBADMP [NH3+]C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000309588854 326161100 /nfs/dbraw/zinc/16/11/00/326161100.db2.gz XUCBSPQOJOTNSL-NSHDSACASA-N 3 1 213.325 -0.355 20 0 BBADMP [NH3+]C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000309588854 326161097 /nfs/dbraw/zinc/16/10/97/326161097.db2.gz XUCBSPQOJOTNSL-NSHDSACASA-N 3 1 213.325 -0.355 20 0 BBADMP [NH3+]CCOCCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000309594609 358881851 /nfs/dbraw/zinc/88/18/51/358881851.db2.gz IAKMUOIYAHVWQL-LLVKDONJSA-N 2 1 213.325 -0.353 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000309594609 358881850 /nfs/dbraw/zinc/88/18/50/358881850.db2.gz IAKMUOIYAHVWQL-LLVKDONJSA-N 3 1 213.325 -0.353 20 0 BBADMP [NH3+]CCOCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000309594613 358881663 /nfs/dbraw/zinc/88/16/63/358881663.db2.gz IAKMUOIYAHVWQL-NSHDSACASA-N 2 1 213.325 -0.353 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000309594613 358881659 /nfs/dbraw/zinc/88/16/59/358881659.db2.gz IAKMUOIYAHVWQL-NSHDSACASA-N 3 1 213.325 -0.353 20 0 BBADMP [NH3+]CCOCCN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000309612224 398104949 /nfs/dbraw/zinc/10/49/49/398104949.db2.gz MXBNBFXRNZJGLD-GHMZBOCLSA-N 2 1 213.325 -0.497 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000309612224 398104947 /nfs/dbraw/zinc/10/49/47/398104947.db2.gz MXBNBFXRNZJGLD-GHMZBOCLSA-N 3 1 213.325 -0.497 20 0 BBADMP [NH3+]CCOCCN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309612229 398104841 /nfs/dbraw/zinc/10/48/41/398104841.db2.gz MXBNBFXRNZJGLD-MNOVXSKESA-N 2 1 213.325 -0.497 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309612229 398104835 /nfs/dbraw/zinc/10/48/35/398104835.db2.gz MXBNBFXRNZJGLD-MNOVXSKESA-N 3 1 213.325 -0.497 20 0 BBADMP [NH3+]CCOCCN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000309612234 398104985 /nfs/dbraw/zinc/10/49/85/398104985.db2.gz MXBNBFXRNZJGLD-QWRGUYRKSA-N 2 1 213.325 -0.497 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000309612234 398104984 /nfs/dbraw/zinc/10/49/84/398104984.db2.gz MXBNBFXRNZJGLD-QWRGUYRKSA-N 3 1 213.325 -0.497 20 0 BBADMP [NH3+]CCOCCN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000309612241 398105060 /nfs/dbraw/zinc/10/50/60/398105060.db2.gz MXBNBFXRNZJGLD-WDEREUQCSA-N 2 1 213.325 -0.497 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000309612241 398105057 /nfs/dbraw/zinc/10/50/57/398105057.db2.gz MXBNBFXRNZJGLD-WDEREUQCSA-N 3 1 213.325 -0.497 20 0 BBADMP CC[NH2+]CC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000309613765 632584103 /nfs/dbraw/zinc/58/41/03/632584103.db2.gz DHELQOKBXYPANB-SSDOTTSWSA-N 2 1 221.251 -0.339 20 0 BBADMP CC[NH2+]CC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000309613766 632584362 /nfs/dbraw/zinc/58/43/62/632584362.db2.gz DHELQOKBXYPANB-ZETCQYMHSA-N 2 1 221.251 -0.339 20 0 BBADMP O=C(C1C[NH2+]C1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000309617710 385747426 /nfs/dbraw/zinc/74/74/26/385747426.db2.gz FTRLUPCQZWUCCM-SSDOTTSWSA-N 2 1 219.235 -0.729 20 0 BBADMP O=C(C1C[NH2+]C1)N1CC[NH2+]C[C@H]1C(F)F ZINC000309617711 385747538 /nfs/dbraw/zinc/74/75/38/385747538.db2.gz FTRLUPCQZWUCCM-ZETCQYMHSA-N 2 1 219.235 -0.729 20 0 BBADMP O=C([C@H]1CSC[NH2+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309620902 383886751 /nfs/dbraw/zinc/88/67/51/383886751.db2.gz HCOOSXTYZZHPAM-HRDYMLBCSA-N 2 1 227.333 -0.673 20 0 BBADMP O=C([C@@H]1CSC[NH2+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309620905 322964106 /nfs/dbraw/zinc/96/41/06/322964106.db2.gz HCOOSXTYZZHPAM-YIZRAAEISA-N 2 1 227.333 -0.673 20 0 BBADMP [NH3+]Cc1nc(C(=O)N[C@H]2CC[NH2+]C2)cs1 ZINC000309652352 370239326 /nfs/dbraw/zinc/23/93/26/370239326.db2.gz YCJXGMVWZKYALE-LURJTMIESA-N 2 1 226.305 -0.307 20 0 BBADMP [NH3+]Cc1nc(C(=O)N[C@@H]2CC[NH2+]C2)cs1 ZINC000309652353 385769494 /nfs/dbraw/zinc/76/94/94/385769494.db2.gz YCJXGMVWZKYALE-ZCFIWIBFSA-N 2 1 226.305 -0.307 20 0 BBADMP O=C(NCC1=CC[NH2+]CC1)[C@H]1CSC[NH2+]1 ZINC000309657280 383888703 /nfs/dbraw/zinc/88/87/03/383888703.db2.gz WOPKNSMEQWWIBC-SECBINFHSA-N 2 1 227.333 -0.315 20 0 BBADMP O=C(NCC1=CC[NH2+]CC1)[C@@H]1CSC[NH2+]1 ZINC000309657282 323443873 /nfs/dbraw/zinc/44/38/73/323443873.db2.gz WOPKNSMEQWWIBC-VIFPVBQESA-N 2 1 227.333 -0.315 20 0 BBADMP C[NH2+]CCC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000309664667 173339147 /nfs/dbraw/zinc/33/91/47/173339147.db2.gz ZTYFIVDPQHRFKT-SSDOTTSWSA-N 2 1 221.251 -0.339 20 0 BBADMP C[NH2+]CCC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000309664668 173339219 /nfs/dbraw/zinc/33/92/19/173339219.db2.gz ZTYFIVDPQHRFKT-ZETCQYMHSA-N 2 1 221.251 -0.339 20 0 BBADMP CCOCC[C@@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309679892 491154185 /nfs/dbraw/zinc/15/41/85/491154185.db2.gz ZFOQSVWPBVTQLB-GRYCIOLGSA-N 2 1 228.336 -0.075 20 0 BBADMP CCOCC[C@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309679895 491154175 /nfs/dbraw/zinc/15/41/75/491154175.db2.gz ZFOQSVWPBVTQLB-TUAOUCFPSA-N 2 1 228.336 -0.075 20 0 BBADMP CN(C)S(=O)(=O)CCC[N@@H+](C)CCC[NH3+] ZINC000309766566 410977869 /nfs/dbraw/zinc/97/78/69/410977869.db2.gz JPAYBBUEEKCPNM-UHFFFAOYSA-N 2 1 237.369 -0.452 20 0 BBADMP C[C@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1CSC[NH2+]1 ZINC000309798599 370262044 /nfs/dbraw/zinc/26/20/44/370262044.db2.gz QSDPBSRTZMWAQA-DJLDLDEBSA-N 2 1 229.349 -0.155 20 0 BBADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1CSC[NH2+]1 ZINC000309798600 411248987 /nfs/dbraw/zinc/24/89/87/411248987.db2.gz QSDPBSRTZMWAQA-HLTSFMKQSA-N 2 1 229.349 -0.155 20 0 BBADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1CSC[NH2+]1 ZINC000309798601 370262481 /nfs/dbraw/zinc/26/24/81/370262481.db2.gz QSDPBSRTZMWAQA-HRDYMLBCSA-N 2 1 229.349 -0.155 20 0 BBADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1CSC[NH2+]1 ZINC000309798602 370261942 /nfs/dbraw/zinc/26/19/42/370261942.db2.gz QSDPBSRTZMWAQA-IWSPIJDZSA-N 2 1 229.349 -0.155 20 0 BBADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1CSC[NH2+]1 ZINC000309798603 411248993 /nfs/dbraw/zinc/24/89/93/411248993.db2.gz QSDPBSRTZMWAQA-VGMNWLOBSA-N 2 1 229.349 -0.155 20 0 BBADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1CSC[NH2+]1 ZINC000309798604 370262123 /nfs/dbraw/zinc/26/21/23/370262123.db2.gz QSDPBSRTZMWAQA-XHNCKOQMSA-N 2 1 229.349 -0.155 20 0 BBADMP CC1([NH3+])CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000309833963 411268426 /nfs/dbraw/zinc/26/84/26/411268426.db2.gz ZLDDYYPKVKDKQP-MRVPVSSYSA-N 2 1 229.349 -0.011 20 0 BBADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@@H](O)C[NH+](C)C)C1 ZINC000309962950 170038564 /nfs/dbraw/zinc/03/85/64/170038564.db2.gz MFQGMHQGBPJZON-QJPTWQEYSA-N 2 1 229.368 -0.161 20 0 BBADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@H](O)C[NH+](C)C)C1 ZINC000309962951 170038865 /nfs/dbraw/zinc/03/88/65/170038865.db2.gz MFQGMHQGBPJZON-SDDRHHMPSA-N 2 1 229.368 -0.161 20 0 BBADMP CC[N@@H+]1C[C@H](NC[C@H](O)C[NH+](C)C)[C@@H](C)C1 ZINC000309962952 170035201 /nfs/dbraw/zinc/03/52/01/170035201.db2.gz MFQGMHQGBPJZON-SRVKXCTJSA-N 2 1 229.368 -0.161 20 0 BBADMP CC[N@@H+]1C[C@H](NC[C@@H](O)C[NH+](C)C)[C@@H](C)C1 ZINC000309963259 170035689 /nfs/dbraw/zinc/03/56/89/170035689.db2.gz MFQGMHQGBPJZON-TUAOUCFPSA-N 2 1 229.368 -0.161 20 0 BBADMP C[N@@H+](CCOCC[NH3+])CC(=O)NC1CCCC1 ZINC000310069962 386072844 /nfs/dbraw/zinc/07/28/44/386072844.db2.gz UAEHLEFJMFTDHZ-UHFFFAOYSA-N 2 1 243.351 -0.048 20 0 BBADMP C[N@H+](CCOCC[NH3+])CC(=O)NC1CCCC1 ZINC000310069962 386072838 /nfs/dbraw/zinc/07/28/38/386072838.db2.gz UAEHLEFJMFTDHZ-UHFFFAOYSA-N 2 1 243.351 -0.048 20 0 BBADMP COCC[C@@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310129191 370304523 /nfs/dbraw/zinc/30/45/23/370304523.db2.gz HCGZFCRPDAAAPY-CMPLNLGQSA-N 2 1 246.351 -0.572 20 0 BBADMP COCC[C@@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310129191 370304519 /nfs/dbraw/zinc/30/45/19/370304519.db2.gz HCGZFCRPDAAAPY-CMPLNLGQSA-N 2 1 246.351 -0.572 20 0 BBADMP COCC[C@@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310129192 370304851 /nfs/dbraw/zinc/30/48/51/370304851.db2.gz HCGZFCRPDAAAPY-JQWIXIFHSA-N 2 1 246.351 -0.572 20 0 BBADMP COCC[C@@H](CO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000310129192 370304848 /nfs/dbraw/zinc/30/48/48/370304848.db2.gz HCGZFCRPDAAAPY-JQWIXIFHSA-N 2 1 246.351 -0.572 20 0 BBADMP COCC[C@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310129193 370304901 /nfs/dbraw/zinc/30/49/01/370304901.db2.gz HCGZFCRPDAAAPY-PWSUYJOCSA-N 2 1 246.351 -0.572 20 0 BBADMP COCC[C@H](CO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000310129193 370304895 /nfs/dbraw/zinc/30/48/95/370304895.db2.gz HCGZFCRPDAAAPY-PWSUYJOCSA-N 2 1 246.351 -0.572 20 0 BBADMP COCC[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310129194 347235487 /nfs/dbraw/zinc/23/54/87/347235487.db2.gz HCGZFCRPDAAAPY-ZYHUDNBSSA-N 2 1 246.351 -0.572 20 0 BBADMP COCC[C@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310129194 347235485 /nfs/dbraw/zinc/23/54/85/347235485.db2.gz HCGZFCRPDAAAPY-ZYHUDNBSSA-N 2 1 246.351 -0.572 20 0 BBADMP C[C@H](O)C[N@@H+](CCO)C[C@H](O)C[NH+]1CCCC1 ZINC000310136811 632702583 /nfs/dbraw/zinc/70/25/83/632702583.db2.gz ZPXBWLXXQCQYCQ-NWDGAFQWSA-N 2 1 246.351 -0.882 20 0 BBADMP C[C@H](O)C[N@H+](CCO)C[C@H](O)C[NH+]1CCCC1 ZINC000310136811 632702579 /nfs/dbraw/zinc/70/25/79/632702579.db2.gz ZPXBWLXXQCQYCQ-NWDGAFQWSA-N 2 1 246.351 -0.882 20 0 BBADMP C[C@H](O)C[N@@H+](CCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000310136812 632702770 /nfs/dbraw/zinc/70/27/70/632702770.db2.gz ZPXBWLXXQCQYCQ-RYUDHWBXSA-N 2 1 246.351 -0.882 20 0 BBADMP C[C@H](O)C[N@H+](CCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000310136812 632702768 /nfs/dbraw/zinc/70/27/68/632702768.db2.gz ZPXBWLXXQCQYCQ-RYUDHWBXSA-N 2 1 246.351 -0.882 20 0 BBADMP C[C@@H](O)C[N@@H+](CCO)C[C@H](O)C[NH+]1CCCC1 ZINC000310136814 632702123 /nfs/dbraw/zinc/70/21/23/632702123.db2.gz ZPXBWLXXQCQYCQ-VXGBXAGGSA-N 2 1 246.351 -0.882 20 0 BBADMP C[C@@H](O)C[N@H+](CCO)C[C@H](O)C[NH+]1CCCC1 ZINC000310136814 632702117 /nfs/dbraw/zinc/70/21/17/632702117.db2.gz ZPXBWLXXQCQYCQ-VXGBXAGGSA-N 2 1 246.351 -0.882 20 0 BBADMP CCOC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000310143644 409793146 /nfs/dbraw/zinc/79/31/46/409793146.db2.gz BHUFIZGLFVCFDA-NEPJUHHUSA-N 2 1 246.351 -0.570 20 0 BBADMP CCOC[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000310143645 409794288 /nfs/dbraw/zinc/79/42/88/409794288.db2.gz BHUFIZGLFVCFDA-NWDGAFQWSA-N 2 1 246.351 -0.570 20 0 BBADMP CCOC[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000310143646 409791932 /nfs/dbraw/zinc/79/19/32/409791932.db2.gz BHUFIZGLFVCFDA-RYUDHWBXSA-N 2 1 246.351 -0.570 20 0 BBADMP CCOC[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000310143647 409794225 /nfs/dbraw/zinc/79/42/25/409794225.db2.gz BHUFIZGLFVCFDA-VXGBXAGGSA-N 2 1 246.351 -0.570 20 0 BBADMP CN1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1=O ZINC000310274279 386169920 /nfs/dbraw/zinc/16/99/20/386169920.db2.gz OBLYHSKOYONAOO-GHMZBOCLSA-N 2 1 241.335 -0.737 20 0 BBADMP CN1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1=O ZINC000310274281 386170088 /nfs/dbraw/zinc/17/00/88/386170088.db2.gz OBLYHSKOYONAOO-MNOVXSKESA-N 2 1 241.335 -0.737 20 0 BBADMP CN1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1=O ZINC000310274284 386170757 /nfs/dbraw/zinc/17/07/57/386170757.db2.gz OBLYHSKOYONAOO-QWRGUYRKSA-N 2 1 241.335 -0.737 20 0 BBADMP CN1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1=O ZINC000310274287 386170151 /nfs/dbraw/zinc/17/01/51/386170151.db2.gz OBLYHSKOYONAOO-WDEREUQCSA-N 2 1 241.335 -0.737 20 0 BBADMP COC[C@H](O)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310285638 370332695 /nfs/dbraw/zinc/33/26/95/370332695.db2.gz QMHUPIDOCFJUDJ-NEPJUHHUSA-N 2 1 246.351 -0.572 20 0 BBADMP COC[C@H](O)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000310285638 370332686 /nfs/dbraw/zinc/33/26/86/370332686.db2.gz QMHUPIDOCFJUDJ-NEPJUHHUSA-N 2 1 246.351 -0.572 20 0 BBADMP COC[C@@H](O)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310285639 370333405 /nfs/dbraw/zinc/33/34/05/370333405.db2.gz QMHUPIDOCFJUDJ-NWDGAFQWSA-N 2 1 246.351 -0.572 20 0 BBADMP COC[C@@H](O)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310285639 370333400 /nfs/dbraw/zinc/33/34/00/370333400.db2.gz QMHUPIDOCFJUDJ-NWDGAFQWSA-N 2 1 246.351 -0.572 20 0 BBADMP COC[C@@H](O)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310285640 370333304 /nfs/dbraw/zinc/33/33/04/370333304.db2.gz QMHUPIDOCFJUDJ-RYUDHWBXSA-N 2 1 246.351 -0.572 20 0 BBADMP COC[C@@H](O)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000310285640 370333293 /nfs/dbraw/zinc/33/32/93/370333293.db2.gz QMHUPIDOCFJUDJ-RYUDHWBXSA-N 2 1 246.351 -0.572 20 0 BBADMP COC[C@H](O)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310285641 370333363 /nfs/dbraw/zinc/33/33/63/370333363.db2.gz QMHUPIDOCFJUDJ-VXGBXAGGSA-N 2 1 246.351 -0.572 20 0 BBADMP COC[C@H](O)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310285641 370333356 /nfs/dbraw/zinc/33/33/56/370333356.db2.gz QMHUPIDOCFJUDJ-VXGBXAGGSA-N 2 1 246.351 -0.572 20 0 BBADMP COCCN(C)C[C@@H](O)C[N@H+]1CCC[C@H](O)C1 ZINC000310327563 347265684 /nfs/dbraw/zinc/26/56/84/347265684.db2.gz AYLXJLPWJYXUJE-NWDGAFQWSA-N 2 1 246.351 -0.618 20 0 BBADMP COCCN(C)C[C@H](O)C[N@H+]1CCC[C@H](O)C1 ZINC000310327566 347265216 /nfs/dbraw/zinc/26/52/16/347265216.db2.gz AYLXJLPWJYXUJE-RYUDHWBXSA-N 2 1 246.351 -0.618 20 0 BBADMP C[N@@H+](C[C@H](O)CN1C[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000310334956 491161098 /nfs/dbraw/zinc/16/10/98/491161098.db2.gz CMIUJMGNXXWESZ-GVXVVHGQSA-N 2 1 239.363 -0.407 20 0 BBADMP C[N@@H+](C[C@H](O)CN1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000310334959 491161101 /nfs/dbraw/zinc/16/11/01/491161101.db2.gz CMIUJMGNXXWESZ-LOWVWBTDSA-N 2 1 239.363 -0.407 20 0 BBADMP C[N@@H+](C[C@@H](O)CN1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000310334962 491161082 /nfs/dbraw/zinc/16/10/82/491161082.db2.gz CMIUJMGNXXWESZ-NTZNESFSSA-N 2 1 239.363 -0.407 20 0 BBADMP C[N@@H+](C[C@H](O)CN1C[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000310334965 491161087 /nfs/dbraw/zinc/16/10/87/491161087.db2.gz CMIUJMGNXXWESZ-WZRBSPASSA-N 2 1 239.363 -0.407 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN(C)C[C@@H](C)OC ZINC000310353943 370339158 /nfs/dbraw/zinc/33/91/58/370339158.db2.gz HURARVBLVYFEFN-NEPJUHHUSA-N 2 1 248.367 -0.108 20 0 BBADMP COCC[N@H+](C)C[C@H](O)CN(C)C[C@@H](C)OC ZINC000310353943 370339155 /nfs/dbraw/zinc/33/91/55/370339155.db2.gz HURARVBLVYFEFN-NEPJUHHUSA-N 2 1 248.367 -0.108 20 0 BBADMP COCCN(C)C[C@H](O)C[N@@H+](C)C[C@@H](C)OC ZINC000310353943 370339151 /nfs/dbraw/zinc/33/91/51/370339151.db2.gz HURARVBLVYFEFN-NEPJUHHUSA-N 2 1 248.367 -0.108 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CN(C)C[C@H](C)OC ZINC000310353944 370339077 /nfs/dbraw/zinc/33/90/77/370339077.db2.gz HURARVBLVYFEFN-NWDGAFQWSA-N 2 1 248.367 -0.108 20 0 BBADMP COCC[N@H+](C)C[C@@H](O)CN(C)C[C@H](C)OC ZINC000310353944 370339072 /nfs/dbraw/zinc/33/90/72/370339072.db2.gz HURARVBLVYFEFN-NWDGAFQWSA-N 2 1 248.367 -0.108 20 0 BBADMP COCCN(C)C[C@@H](O)C[N@@H+](C)C[C@H](C)OC ZINC000310353944 370339069 /nfs/dbraw/zinc/33/90/69/370339069.db2.gz HURARVBLVYFEFN-NWDGAFQWSA-N 2 1 248.367 -0.108 20 0 BBADMP C[N@H+](CCc1cn[nH]c1)CCN1CC[NH2+]CC1 ZINC000310366120 386180026 /nfs/dbraw/zinc/18/00/26/386180026.db2.gz VOHKTKZYQXZULS-UHFFFAOYSA-N 2 1 237.351 -0.211 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)Cn1cc([C@@H](C)[NH2+]C)nn1 ZINC000310388443 386176789 /nfs/dbraw/zinc/17/67/89/386176789.db2.gz KNAHRWFMZQYFII-NXEZZACHSA-N 2 1 241.339 -0.129 20 0 BBADMP CC[N@@H+](C)C[C@H](O)Cn1cc([C@H](C)[NH2+]C)nn1 ZINC000310388445 386176212 /nfs/dbraw/zinc/17/62/12/386176212.db2.gz KNAHRWFMZQYFII-UWVGGRQHSA-N 2 1 241.339 -0.129 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)Cn1cc([C@H](C)[NH2+]C)nn1 ZINC000310388447 386176257 /nfs/dbraw/zinc/17/62/57/386176257.db2.gz KNAHRWFMZQYFII-VHSXEESVSA-N 2 1 241.339 -0.129 20 0 BBADMP CC[N@@H+](C)C[C@H](O)Cn1cc([C@@H](C)[NH2+]C)nn1 ZINC000310388449 386176399 /nfs/dbraw/zinc/17/63/99/386176399.db2.gz KNAHRWFMZQYFII-ZJUUUORDSA-N 2 1 241.339 -0.129 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000310400424 634138827 /nfs/dbraw/zinc/13/88/27/634138827.db2.gz MVZIDOSXWLWMMA-GRYCIOLGSA-N 2 1 245.367 -0.796 20 0 BBADMP COC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000310403477 323131130 /nfs/dbraw/zinc/13/11/30/323131130.db2.gz NSANJAFALFLVJW-NEPJUHHUSA-N 2 1 246.351 -0.570 20 0 BBADMP COC[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000310403478 323131115 /nfs/dbraw/zinc/13/11/15/323131115.db2.gz 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/nfs/dbraw/zinc/04/94/07/385049407.db2.gz LIWITEDPTBEWJF-SNVBAGLBSA-N 2 1 240.307 -0.328 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H]([NH3+])C1 ZINC000310412655 632737751 /nfs/dbraw/zinc/73/77/51/632737751.db2.gz PDBVIWYLASODKD-NEPJUHHUSA-N 2 1 245.367 -0.651 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@H]([NH3+])C1 ZINC000310412657 632739099 /nfs/dbraw/zinc/73/90/99/632739099.db2.gz PDBVIWYLASODKD-NWDGAFQWSA-N 2 1 245.367 -0.651 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H]([NH3+])C1 ZINC000310412659 634142639 /nfs/dbraw/zinc/14/26/39/634142639.db2.gz PDBVIWYLASODKD-RYUDHWBXSA-N 2 1 245.367 -0.651 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H]([NH3+])C1 ZINC000310412661 632738653 /nfs/dbraw/zinc/73/86/53/632738653.db2.gz PDBVIWYLASODKD-VXGBXAGGSA-N 2 1 245.367 -0.651 20 0 BBADMP CN1CC[NH+]=C1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000310421029 187392915 /nfs/dbraw/zinc/39/29/15/187392915.db2.gz OMCNRNFSHHJEPV-GHMZBOCLSA-N 2 1 238.335 -0.259 20 0 BBADMP CN1CC[NH+]=C1NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000310421067 387537926 /nfs/dbraw/zinc/53/79/26/387537926.db2.gz OMCNRNFSHHJEPV-MNOVXSKESA-N 2 1 238.335 -0.259 20 0 BBADMP CN1CC[NH+]=C1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000310421069 187392353 /nfs/dbraw/zinc/39/23/53/187392353.db2.gz OMCNRNFSHHJEPV-QWRGUYRKSA-N 2 1 238.335 -0.259 20 0 BBADMP CN1CC[NH+]=C1NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000310421071 387537883 /nfs/dbraw/zinc/53/78/83/387537883.db2.gz OMCNRNFSHHJEPV-WDEREUQCSA-N 2 1 238.335 -0.259 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH2+][C@@H](C)C1 ZINC000310450364 634148210 /nfs/dbraw/zinc/14/82/10/634148210.db2.gz XWRPNARSTLJHED-NWDGAFQWSA-N 2 1 245.367 -0.781 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH2+][C@@H](C)C1 ZINC000310450365 636054525 /nfs/dbraw/zinc/05/45/25/636054525.db2.gz XWRPNARSTLJHED-RYUDHWBXSA-N 2 1 245.367 -0.781 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[NH2+]CC1 ZINC000310477898 632744824 /nfs/dbraw/zinc/74/48/24/632744824.db2.gz CGNDFGXRJJBTQO-GFCCVEGCSA-N 2 1 245.367 -0.779 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[NH2+]CC1 ZINC000310477899 632744351 /nfs/dbraw/zinc/74/43/51/632744351.db2.gz CGNDFGXRJJBTQO-LBPRGKRZSA-N 2 1 245.367 -0.779 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CO)C(C)C ZINC000310479881 370347542 /nfs/dbraw/zinc/34/75/42/370347542.db2.gz CSJQOUAOFSCVRR-NWDGAFQWSA-N 2 1 248.367 -0.468 20 0 BBADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](CO)C(C)C ZINC000310479881 370347538 /nfs/dbraw/zinc/34/75/38/370347538.db2.gz CSJQOUAOFSCVRR-NWDGAFQWSA-N 2 1 248.367 -0.468 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CO)C(C)C ZINC000310479885 370347709 /nfs/dbraw/zinc/34/77/09/370347709.db2.gz CSJQOUAOFSCVRR-VXGBXAGGSA-N 2 1 248.367 -0.468 20 0 BBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](CO)C(C)C ZINC000310479885 370347705 /nfs/dbraw/zinc/34/77/05/370347705.db2.gz CSJQOUAOFSCVRR-VXGBXAGGSA-N 2 1 248.367 -0.468 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN(C)[C@@H]1CCOC1 ZINC000310505709 343519148 /nfs/dbraw/zinc/51/91/48/343519148.db2.gz JBSJWMIIDPLAFC-NEPJUHHUSA-N 2 1 246.351 -0.354 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CN(C)[C@H]1CCOC1 ZINC000310505714 343519039 /nfs/dbraw/zinc/51/90/39/343519039.db2.gz JBSJWMIIDPLAFC-NWDGAFQWSA-N 2 1 246.351 -0.354 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN(C)[C@H]1CCOC1 ZINC000310505716 343519000 /nfs/dbraw/zinc/51/90/00/343519000.db2.gz JBSJWMIIDPLAFC-RYUDHWBXSA-N 2 1 246.351 -0.354 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CN(C)[C@@H]1CCOC1 ZINC000310505718 343518927 /nfs/dbraw/zinc/51/89/27/343518927.db2.gz JBSJWMIIDPLAFC-VXGBXAGGSA-N 2 1 246.351 -0.354 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CN(C)CC[C@@H](C)O ZINC000310511264 323133111 /nfs/dbraw/zinc/13/31/11/323133111.db2.gz KGJURLLPOHDIQH-NEPJUHHUSA-N 2 1 248.367 -0.372 20 0 BBADMP COCC[N@H+](C)C[C@@H](O)CN(C)CC[C@@H](C)O ZINC000310511264 323133110 /nfs/dbraw/zinc/13/31/10/323133110.db2.gz KGJURLLPOHDIQH-NEPJUHHUSA-N 2 1 248.367 -0.372 20 0 BBADMP COCCN(C)C[C@@H](O)C[N@@H+](C)CC[C@@H](C)O ZINC000310511264 323133109 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323133059 /nfs/dbraw/zinc/13/30/59/323133059.db2.gz KGJURLLPOHDIQH-RYUDHWBXSA-N 2 1 248.367 -0.372 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN(C)CC[C@@H](C)O ZINC000310511295 323133133 /nfs/dbraw/zinc/13/31/33/323133133.db2.gz KGJURLLPOHDIQH-VXGBXAGGSA-N 2 1 248.367 -0.372 20 0 BBADMP COCC[N@H+](C)C[C@H](O)CN(C)CC[C@@H](C)O ZINC000310511295 323133132 /nfs/dbraw/zinc/13/31/32/323133132.db2.gz KGJURLLPOHDIQH-VXGBXAGGSA-N 2 1 248.367 -0.372 20 0 BBADMP COCCN(C)C[C@H](O)C[N@@H+](C)CC[C@@H](C)O ZINC000310511295 323133131 /nfs/dbraw/zinc/13/31/31/323133131.db2.gz KGJURLLPOHDIQH-VXGBXAGGSA-N 2 1 248.367 -0.372 20 0 BBADMP COCCN(CCO)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310522845 174294108 /nfs/dbraw/zinc/29/41/08/174294108.db2.gz UWVHOZODQLXKPD-LBPRGKRZSA-N 2 1 246.351 -0.618 20 0 BBADMP CC(C)[N@@H+](C)C[C@@H](O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000310533224 488099291 /nfs/dbraw/zinc/09/92/91/488099291.db2.gz OOMLTGIXSRKYJX-FRRDWIJNSA-N 2 1 241.379 -0.161 20 0 BBADMP CC(C)[N@@H+](C)C[C@H](O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000310533225 488099924 /nfs/dbraw/zinc/09/99/24/488099924.db2.gz OOMLTGIXSRKYJX-XQQFMLRXSA-N 2 1 241.379 -0.161 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@H](C)CO ZINC000310537572 370351913 /nfs/dbraw/zinc/35/19/13/370351913.db2.gz PRIZXBMGAOUJRG-GRYCIOLGSA-N 2 1 248.367 -0.468 20 0 BBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@H](C)CO ZINC000310537572 370351908 /nfs/dbraw/zinc/35/19/08/370351908.db2.gz PRIZXBMGAOUJRG-GRYCIOLGSA-N 2 1 248.367 -0.468 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@H](C)CO ZINC000310537573 370351490 /nfs/dbraw/zinc/35/14/90/370351490.db2.gz PRIZXBMGAOUJRG-IJLUTSLNSA-N 2 1 248.367 -0.468 20 0 BBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@H](C)CO ZINC000310537573 370351487 /nfs/dbraw/zinc/35/14/87/370351487.db2.gz PRIZXBMGAOUJRG-IJLUTSLNSA-N 2 1 248.367 -0.468 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@@H](C)CO ZINC000310537575 370352076 /nfs/dbraw/zinc/35/20/76/370352076.db2.gz PRIZXBMGAOUJRG-QJPTWQEYSA-N 2 1 248.367 -0.468 20 0 BBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@@H](C)CO ZINC000310537575 370352074 /nfs/dbraw/zinc/35/20/74/370352074.db2.gz PRIZXBMGAOUJRG-QJPTWQEYSA-N 2 1 248.367 -0.468 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@@H](C)CO ZINC000310537577 370351399 /nfs/dbraw/zinc/35/13/99/370351399.db2.gz PRIZXBMGAOUJRG-SDDRHHMPSA-N 2 1 248.367 -0.468 20 0 BBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@@H](C)CO ZINC000310537577 370351396 /nfs/dbraw/zinc/35/13/96/370351396.db2.gz PRIZXBMGAOUJRG-SDDRHHMPSA-N 2 1 248.367 -0.468 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC(O)CC1 ZINC000310541772 343528586 /nfs/dbraw/zinc/52/85/86/343528586.db2.gz RBOXFEIFUYLNOQ-GFCCVEGCSA-N 2 1 246.351 -0.618 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC(O)CC1 ZINC000310541774 343528421 /nfs/dbraw/zinc/52/84/21/343528421.db2.gz RBOXFEIFUYLNOQ-LBPRGKRZSA-N 2 1 246.351 -0.618 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH2+]C[C@H]1C ZINC000310549259 632756199 /nfs/dbraw/zinc/75/61/99/632756199.db2.gz TZHUUBMYFMPEAQ-NEPJUHHUSA-N 2 1 245.367 -0.781 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH2+]C[C@@H]1C ZINC000310549260 634159352 /nfs/dbraw/zinc/15/93/52/634159352.db2.gz TZHUUBMYFMPEAQ-NWDGAFQWSA-N 2 1 245.367 -0.781 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH2+]C[C@@H]1C ZINC000310549261 632756158 /nfs/dbraw/zinc/75/61/58/632756158.db2.gz TZHUUBMYFMPEAQ-RYUDHWBXSA-N 2 1 245.367 -0.781 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH2+]C[C@H]1C ZINC000310549262 632756695 /nfs/dbraw/zinc/75/66/95/632756695.db2.gz TZHUUBMYFMPEAQ-VXGBXAGGSA-N 2 1 245.367 -0.781 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH2+][C@H](C)C1 ZINC000310566807 632759792 /nfs/dbraw/zinc/75/97/92/632759792.db2.gz XWRPNARSTLJHED-NEPJUHHUSA-N 2 1 245.367 -0.781 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH2+][C@H](C)C1 ZINC000310566808 634163697 /nfs/dbraw/zinc/16/36/97/634163697.db2.gz XWRPNARSTLJHED-VXGBXAGGSA-N 2 1 245.367 -0.781 20 0 BBADMP NC(=O)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310570585 343537020 /nfs/dbraw/zinc/53/70/20/343537020.db2.gz NUROXNPVVKTZGC-DTORHVGOSA-N 2 1 240.307 -0.887 20 0 BBADMP c1cnn(CC[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000311038493 259345018 /nfs/dbraw/zinc/34/50/18/259345018.db2.gz YUPPQFLLEXPVNQ-CYBMUJFWSA-N 2 1 249.362 -0.137 20 0 BBADMP c1cnn(CC[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000311038494 259345077 /nfs/dbraw/zinc/34/50/77/259345077.db2.gz YUPPQFLLEXPVNQ-ZDUSSCGKSA-N 2 1 249.362 -0.137 20 0 BBADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1COCC1(C)C ZINC000313022546 634439197 /nfs/dbraw/zinc/43/91/97/634439197.db2.gz NQCAOSJYLJFRLZ-NXEZZACHSA-N 2 1 216.325 -0.077 20 0 BBADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1COCC1(C)C ZINC000313022548 634439809 /nfs/dbraw/zinc/43/98/09/634439809.db2.gz NQCAOSJYLJFRLZ-UWVGGRQHSA-N 2 1 216.325 -0.077 20 0 BBADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1COCC1(C)C ZINC000313022550 641527740 /nfs/dbraw/zinc/52/77/40/641527740.db2.gz NQCAOSJYLJFRLZ-VHSXEESVSA-N 2 1 216.325 -0.077 20 0 BBADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1COCC1(C)C ZINC000313022552 634439546 /nfs/dbraw/zinc/43/95/46/634439546.db2.gz NQCAOSJYLJFRLZ-ZJUUUORDSA-N 2 1 216.325 -0.077 20 0 BBADMP COCC(COC)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313348046 711718774 /nfs/dbraw/zinc/71/87/74/711718774.db2.gz HPQWCHOHRZNILO-LLVKDONJSA-N 2 1 232.324 -0.303 20 0 BBADMP COCC(COC)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313348046 711718773 /nfs/dbraw/zinc/71/87/73/711718773.db2.gz HPQWCHOHRZNILO-LLVKDONJSA-N 2 1 232.324 -0.303 20 0 BBADMP COCC(COC)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313348049 711718569 /nfs/dbraw/zinc/71/85/69/711718569.db2.gz HPQWCHOHRZNILO-NSHDSACASA-N 2 1 232.324 -0.303 20 0 BBADMP COCC(COC)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313348049 711718566 /nfs/dbraw/zinc/71/85/66/711718566.db2.gz HPQWCHOHRZNILO-NSHDSACASA-N 2 1 232.324 -0.303 20 0 BBADMP CC[C@H](O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313363481 641561152 /nfs/dbraw/zinc/56/11/52/641561152.db2.gz YTQHVLBRMJIJMB-UWVGGRQHSA-N 2 1 202.298 -0.193 20 0 BBADMP CC[C@H](O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313363484 641560808 /nfs/dbraw/zinc/56/08/08/641560808.db2.gz YTQHVLBRMJIJMB-VHSXEESVSA-N 2 1 202.298 -0.193 20 0 BBADMP CCOC[C@H](O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313396761 641561143 /nfs/dbraw/zinc/56/11/43/641561143.db2.gz YIZBTDRMYUWCDV-GHMZBOCLSA-N 2 1 232.324 -0.567 20 0 BBADMP CCOC[C@H](O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313396761 641561137 /nfs/dbraw/zinc/56/11/37/641561137.db2.gz YIZBTDRMYUWCDV-GHMZBOCLSA-N 2 1 232.324 -0.567 20 0 BBADMP CCOC[C@H](O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313396763 641560662 /nfs/dbraw/zinc/56/06/62/641560662.db2.gz YIZBTDRMYUWCDV-MNOVXSKESA-N 2 1 232.324 -0.567 20 0 BBADMP CCOC[C@H](O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313396763 641560655 /nfs/dbraw/zinc/56/06/55/641560655.db2.gz YIZBTDRMYUWCDV-MNOVXSKESA-N 2 1 232.324 -0.567 20 0 BBADMP CCOC[C@@H](O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313396764 641560784 /nfs/dbraw/zinc/56/07/84/641560784.db2.gz YIZBTDRMYUWCDV-QWRGUYRKSA-N 2 1 232.324 -0.567 20 0 BBADMP CCOC[C@@H](O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313396764 641560781 /nfs/dbraw/zinc/56/07/81/641560781.db2.gz YIZBTDRMYUWCDV-QWRGUYRKSA-N 2 1 232.324 -0.567 20 0 BBADMP CCOC[C@@H](O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313396766 641561095 /nfs/dbraw/zinc/56/10/95/641561095.db2.gz YIZBTDRMYUWCDV-WDEREUQCSA-N 2 1 232.324 -0.567 20 0 BBADMP CCOC[C@@H](O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313396766 641561088 /nfs/dbraw/zinc/56/10/88/641561088.db2.gz YIZBTDRMYUWCDV-WDEREUQCSA-N 2 1 232.324 -0.567 20 0 BBADMP [NH3+]C[C@@H]1C[N@@H+](CCn2cccn2)CCCO1 ZINC000313397762 326265351 /nfs/dbraw/zinc/26/53/51/326265351.db2.gz QRFPKWVGJUZWDY-LLVKDONJSA-N 2 1 224.308 -0.067 20 0 BBADMP [NH3+]C[C@@H]1C[N@H+](CCn2cccn2)CCCO1 ZINC000313397762 326265348 /nfs/dbraw/zinc/26/53/48/326265348.db2.gz QRFPKWVGJUZWDY-LLVKDONJSA-N 2 1 224.308 -0.067 20 0 BBADMP [NH3+]C[C@H]1C[N@@H+](CCn2cccn2)CCCO1 ZINC000313397767 326265520 /nfs/dbraw/zinc/26/55/20/326265520.db2.gz QRFPKWVGJUZWDY-NSHDSACASA-N 2 1 224.308 -0.067 20 0 BBADMP [NH3+]C[C@H]1C[N@H+](CCn2cccn2)CCCO1 ZINC000313397767 326265518 /nfs/dbraw/zinc/26/55/18/326265518.db2.gz QRFPKWVGJUZWDY-NSHDSACASA-N 2 1 224.308 -0.067 20 0 BBADMP OC[C@@]1(O)CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000313827317 326281470 /nfs/dbraw/zinc/28/14/70/326281470.db2.gz XFYYZMPEGMUYMQ-GFCCVEGCSA-N 2 1 228.336 -0.195 20 0 BBADMP OC[C@]1(O)CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000313827318 326281262 /nfs/dbraw/zinc/28/12/62/326281262.db2.gz XFYYZMPEGMUYMQ-LBPRGKRZSA-N 2 1 228.336 -0.195 20 0 BBADMP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000313840640 411232597 /nfs/dbraw/zinc/23/25/97/411232597.db2.gz AMDROXFCHNNOLH-PHIMTYICSA-N 2 1 225.292 -0.610 20 0 BBADMP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000313840640 411232592 /nfs/dbraw/zinc/23/25/92/411232592.db2.gz AMDROXFCHNNOLH-PHIMTYICSA-N 2 1 225.292 -0.610 20 0 BBADMP Cn1c[nH+]cc1CCC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000313840643 355886327 /nfs/dbraw/zinc/88/63/27/355886327.db2.gz AMDROXFCHNNOLH-QWRGUYRKSA-N 2 1 225.292 -0.610 20 0 BBADMP C[C@@H]1C[N@H+](CCN(C)CC[NH3+])C[C@H](C)O1 ZINC000314208506 384856243 /nfs/dbraw/zinc/85/62/43/384856243.db2.gz PQSMPMFLLANKCT-PHIMTYICSA-N 2 1 215.341 -0.014 20 0 BBADMP Cn1c[nH+]cc1CCC[NH2+]C(CO)CO ZINC000314554775 350173273 /nfs/dbraw/zinc/17/32/73/350173273.db2.gz SFSJOCRWRYMWHQ-UHFFFAOYSA-N 2 1 213.281 -0.705 20 0 BBADMP Cn1c[nH+]cc1CCC[NH+](CCO)CCO ZINC000315104910 350183920 /nfs/dbraw/zinc/18/39/20/350183920.db2.gz QBYVSZPLPQUVOZ-UHFFFAOYSA-N 2 1 227.308 -0.361 20 0 BBADMP CN1CCC[NH+]=C1NCC[NH+]1CCC(O)CC1 ZINC000321214072 636586340 /nfs/dbraw/zinc/58/63/40/636586340.db2.gz RCFMEQFLVWJRCK-UHFFFAOYSA-N 2 1 240.351 -0.276 20 0 BBADMP C[NH+](C)CC(=O)NCC[NH+]1CCC(O)CC1 ZINC000321454777 344539506 /nfs/dbraw/zinc/53/95/06/344539506.db2.gz QOYZYJKWNLPPDZ-UHFFFAOYSA-N 2 1 229.324 -0.879 20 0 BBADMP CC(C)NC(=[NH2+])NCC[NH+]1CCC(O)CC1 ZINC000321700787 636676144 /nfs/dbraw/zinc/67/61/44/636676144.db2.gz AWJWWKHHRPRRQP-UHFFFAOYSA-N 2 1 228.340 -0.035 20 0 BBADMP CCCNC(=[NH2+])NCC[NH+]1CCC(O)CC1 ZINC000321823611 636708862 /nfs/dbraw/zinc/70/88/62/636708862.db2.gz ONLWJNKIZJQKPP-UHFFFAOYSA-N 2 1 228.340 -0.033 20 0 BBADMP [NH2+]=C(NCC[NH+]1CCC(O)CC1)NC1CC1 ZINC000322163970 636810392 /nfs/dbraw/zinc/81/03/92/636810392.db2.gz KEUPSAITPZTEOK-UHFFFAOYSA-N 2 1 226.324 -0.281 20 0 BBADMP C[C@@H]1C[NH+]=C(NCC[NH+]2CCC(O)CC2)N1 ZINC000322167807 636809805 /nfs/dbraw/zinc/80/98/05/636809805.db2.gz LDJPEAYUUPAHAS-SECBINFHSA-N 2 1 226.324 -0.620 20 0 BBADMP C[C@H]1C[NH+]=C(NCC[NH+]2CCC(O)CC2)N1 ZINC000322167811 636811219 /nfs/dbraw/zinc/81/12/19/636811219.db2.gz LDJPEAYUUPAHAS-VIFPVBQESA-N 2 1 226.324 -0.620 20 0 BBADMP CCNC(=[NH2+])NCC[NH+]1CCC(O)CC1 ZINC000322270622 636828900 /nfs/dbraw/zinc/82/89/00/636828900.db2.gz VROLEAUVOSXGBU-UHFFFAOYSA-N 2 1 214.313 -0.423 20 0 BBADMP CN1CC[NH+]=C1NCC[NH+]1CCC(O)CC1 ZINC000322280358 636827919 /nfs/dbraw/zinc/82/79/19/636827919.db2.gz YGOVWLSQENTXTR-UHFFFAOYSA-N 2 1 226.324 -0.666 20 0 BBADMP CNC(=O)C[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000323033164 347453928 /nfs/dbraw/zinc/45/39/28/347453928.db2.gz MTZCVRPCGTUTLX-GXSJLCMTSA-N 2 1 243.351 -0.444 20 0 BBADMP CNC(=O)C[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000323033164 347453923 /nfs/dbraw/zinc/45/39/23/347453923.db2.gz MTZCVRPCGTUTLX-GXSJLCMTSA-N 2 1 243.351 -0.444 20 0 BBADMP CNC(=O)C[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000323033166 347453585 /nfs/dbraw/zinc/45/35/85/347453585.db2.gz MTZCVRPCGTUTLX-KOLCDFICSA-N 2 1 243.351 -0.444 20 0 BBADMP CNC(=O)C[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000323033166 347453582 /nfs/dbraw/zinc/45/35/82/347453582.db2.gz MTZCVRPCGTUTLX-KOLCDFICSA-N 2 1 243.351 -0.444 20 0 BBADMP CNC(=O)C[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000323033168 347453519 /nfs/dbraw/zinc/45/35/19/347453519.db2.gz MTZCVRPCGTUTLX-MWLCHTKSSA-N 2 1 243.351 -0.444 20 0 BBADMP CNC(=O)C[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000323033168 347453517 /nfs/dbraw/zinc/45/35/17/347453517.db2.gz MTZCVRPCGTUTLX-MWLCHTKSSA-N 2 1 243.351 -0.444 20 0 BBADMP CNC(=O)C[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000323033170 347453362 /nfs/dbraw/zinc/45/33/62/347453362.db2.gz MTZCVRPCGTUTLX-ONGXEEELSA-N 2 1 243.351 -0.444 20 0 BBADMP CNC(=O)C[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000323033170 347453360 /nfs/dbraw/zinc/45/33/60/347453360.db2.gz MTZCVRPCGTUTLX-ONGXEEELSA-N 2 1 243.351 -0.444 20 0 BBADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1O)C1CC1 ZINC000323794083 348615185 /nfs/dbraw/zinc/61/51/85/348615185.db2.gz DJZXTAWNUHSTAQ-IJLUTSLNSA-N 2 1 228.336 -0.056 20 0 BBADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1O)C1CC1 ZINC000323794083 348615181 /nfs/dbraw/zinc/61/51/81/348615181.db2.gz DJZXTAWNUHSTAQ-IJLUTSLNSA-N 2 1 228.336 -0.056 20 0 BBADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1O)C1CC1 ZINC000323794085 398013274 /nfs/dbraw/zinc/01/32/74/398013274.db2.gz DJZXTAWNUHSTAQ-WOPDTQHZSA-N 2 1 228.336 -0.056 20 0 BBADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1O)C1CC1 ZINC000323794085 398013270 /nfs/dbraw/zinc/01/32/70/398013270.db2.gz DJZXTAWNUHSTAQ-WOPDTQHZSA-N 2 1 228.336 -0.056 20 0 BBADMP C[C@H]1OCC[NH2+][C@H]1C(=O)NCCC[NH+](C)C ZINC000328095053 177399766 /nfs/dbraw/zinc/39/97/66/177399766.db2.gz GGLCJCGYNBUIRL-NXEZZACHSA-N 2 1 229.324 -0.569 20 0 BBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)NCCC[NH+](C)C ZINC000328095054 387861765 /nfs/dbraw/zinc/86/17/65/387861765.db2.gz GGLCJCGYNBUIRL-UWVGGRQHSA-N 2 1 229.324 -0.569 20 0 BBADMP C[C@@H]1OCC[NH2+][C@H]1C(=O)NCCC[NH+](C)C ZINC000328095056 387861495 /nfs/dbraw/zinc/86/14/95/387861495.db2.gz GGLCJCGYNBUIRL-VHSXEESVSA-N 2 1 229.324 -0.569 20 0 BBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCC[NH+](C)C ZINC000328095057 177399939 /nfs/dbraw/zinc/39/99/39/177399939.db2.gz GGLCJCGYNBUIRL-ZJUUUORDSA-N 2 1 229.324 -0.569 20 0 BBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCCC[NH3+] ZINC000328101779 177399982 /nfs/dbraw/zinc/39/99/82/177399982.db2.gz HJQQOWMOXOIBFB-BDAKNGLRSA-N 2 1 215.297 -0.782 20 0 BBADMP C[C@@H]1OCC[NH2+][C@H]1C(=O)NCCCC[NH3+] ZINC000328101781 387870330 /nfs/dbraw/zinc/87/03/30/387870330.db2.gz HJQQOWMOXOIBFB-DTWKUNHWSA-N 2 1 215.297 -0.782 20 0 BBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)NCCCC[NH3+] ZINC000328101783 387871466 /nfs/dbraw/zinc/87/14/66/387871466.db2.gz HJQQOWMOXOIBFB-IUCAKERBSA-N 2 1 215.297 -0.782 20 0 BBADMP C[C@H]1OCC[NH2+][C@H]1C(=O)NCCCC[NH3+] ZINC000328101785 177399536 /nfs/dbraw/zinc/39/95/36/177399536.db2.gz HJQQOWMOXOIBFB-RKDXNWHRSA-N 2 1 215.297 -0.782 20 0 BBADMP C[C@H]1OCC[NH2+][C@H]1C(=O)NCCCC[NH+](C)C ZINC000328365090 177399787 /nfs/dbraw/zinc/39/97/87/177399787.db2.gz PLKBJCFLZSNZAB-GHMZBOCLSA-N 2 1 243.351 -0.179 20 0 BBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCCC[NH+](C)C ZINC000328365092 388641649 /nfs/dbraw/zinc/64/16/49/388641649.db2.gz PLKBJCFLZSNZAB-MNOVXSKESA-N 2 1 243.351 -0.179 20 0 BBADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)NCCCC[NH+](C)C ZINC000328365094 176468219 /nfs/dbraw/zinc/46/82/19/176468219.db2.gz PLKBJCFLZSNZAB-QWRGUYRKSA-N 2 1 243.351 -0.179 20 0 BBADMP C[C@@H]1OCC[NH2+][C@H]1C(=O)NCCCC[NH+](C)C ZINC000328365096 388641919 /nfs/dbraw/zinc/64/19/19/388641919.db2.gz PLKBJCFLZSNZAB-WDEREUQCSA-N 2 1 243.351 -0.179 20 0 BBADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H]1CCCC[C@@H]1O ZINC000328388025 350399891 /nfs/dbraw/zinc/39/98/91/350399891.db2.gz XANHWVPGAJIGSM-AXFHLTTASA-N 2 1 216.325 -0.211 20 0 BBADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@H]1CCCC[C@H]1O ZINC000328388029 350400086 /nfs/dbraw/zinc/40/00/86/350400086.db2.gz XANHWVPGAJIGSM-GMTAPVOTSA-N 2 1 216.325 -0.211 20 0 BBADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H]1CCCC[C@H]1O ZINC000328388031 350399905 /nfs/dbraw/zinc/39/99/05/350399905.db2.gz XANHWVPGAJIGSM-HBNTYKKESA-N 2 1 216.325 -0.211 20 0 BBADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@H]1CCCC[C@@H]1O ZINC000328388034 350399968 /nfs/dbraw/zinc/39/99/68/350399968.db2.gz XANHWVPGAJIGSM-MXWKQRLJSA-N 2 1 216.325 -0.211 20 0 BBADMP COC[C@H](O)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328415154 712383654 /nfs/dbraw/zinc/38/36/54/712383654.db2.gz IBCKKCMBTCXGJI-IFGRULIISA-N 2 1 226.320 -0.420 20 0 BBADMP COC[C@H](O)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328415158 633762233 /nfs/dbraw/zinc/76/22/33/633762233.db2.gz IBCKKCMBTCXGJI-NEJQNHLGSA-N 2 1 226.320 -0.420 20 0 BBADMP COC[C@H](O)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328415162 633764363 /nfs/dbraw/zinc/76/43/63/633764363.db2.gz IBCKKCMBTCXGJI-ZXZMWMBJSA-N 2 1 226.320 -0.420 20 0 BBADMP O=C1NC[C@@H]2C[N@@H+](CCn3ccnc3)CCN12 ZINC000328622748 183026270 /nfs/dbraw/zinc/02/62/70/183026270.db2.gz YKPFCPVYBAICOT-SNVBAGLBSA-N 2 1 235.291 -0.203 20 0 BBADMP C[NH+]1CCN(c2ncccc2CNC(N)=[NH2+])CC1 ZINC000330520084 132228423 /nfs/dbraw/zinc/22/84/23/132228423.db2.gz GQCKQHCDPJQSGY-UHFFFAOYSA-N 2 1 248.334 -0.184 20 0 BBADMP CO[C@H]1C[C@@H](CO)[N@@H+](CCn2ccnc2)C1 ZINC000330544557 384436050 /nfs/dbraw/zinc/43/60/50/384436050.db2.gz ONVZKEYAVNUTNN-QWRGUYRKSA-N 2 1 225.292 -0.035 20 0 BBADMP C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000330765854 386881178 /nfs/dbraw/zinc/88/11/78/386881178.db2.gz UHSUTHISEQEDJZ-SECBINFHSA-N 2 1 242.323 -0.131 20 0 BBADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000330765855 386881051 /nfs/dbraw/zinc/88/10/51/386881051.db2.gz UHSUTHISEQEDJZ-VIFPVBQESA-N 2 1 242.323 -0.131 20 0 BBADMP C[NH+](C)CCn1nccc1NC(=O)C[NH+](C)C ZINC000330792287 490349902 /nfs/dbraw/zinc/34/99/02/490349902.db2.gz CAINIZFJMHLJAH-UHFFFAOYSA-N 2 1 239.323 -0.055 20 0 BBADMP COC(=O)[C@](C)(O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000330860076 386903802 /nfs/dbraw/zinc/90/38/02/386903802.db2.gz VSNFBWYVLXTACH-CMPLNLGQSA-N 2 1 244.335 -0.206 20 0 BBADMP COC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000330860076 386903795 /nfs/dbraw/zinc/90/37/95/386903795.db2.gz VSNFBWYVLXTACH-CMPLNLGQSA-N 2 1 244.335 -0.206 20 0 BBADMP COC(=O)[C@@](C)(O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000330860077 386903279 /nfs/dbraw/zinc/90/32/79/386903279.db2.gz VSNFBWYVLXTACH-JQWIXIFHSA-N 2 1 244.335 -0.206 20 0 BBADMP COC(=O)[C@@](C)(O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000330860077 386903273 /nfs/dbraw/zinc/90/32/73/386903273.db2.gz VSNFBWYVLXTACH-JQWIXIFHSA-N 2 1 244.335 -0.206 20 0 BBADMP COC(=O)[C@@](C)(O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000330860078 386903165 /nfs/dbraw/zinc/90/31/65/386903165.db2.gz VSNFBWYVLXTACH-PWSUYJOCSA-N 2 1 244.335 -0.206 20 0 BBADMP COC(=O)[C@@](C)(O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000330860078 386903160 /nfs/dbraw/zinc/90/31/60/386903160.db2.gz VSNFBWYVLXTACH-PWSUYJOCSA-N 2 1 244.335 -0.206 20 0 BBADMP COC(=O)[C@](C)(O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000330860079 386904078 /nfs/dbraw/zinc/90/40/78/386904078.db2.gz VSNFBWYVLXTACH-ZYHUDNBSSA-N 2 1 244.335 -0.206 20 0 BBADMP COC(=O)[C@](C)(O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000330860079 386904073 /nfs/dbraw/zinc/90/40/73/386904073.db2.gz VSNFBWYVLXTACH-ZYHUDNBSSA-N 2 1 244.335 -0.206 20 0 BBADMP C[C@@H](CC(=O)N(C)C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000330863357 386905653 /nfs/dbraw/zinc/90/56/53/386905653.db2.gz AOSSMQLDRQIFLC-CMPLNLGQSA-N 2 1 243.351 -0.491 20 0 BBADMP C[C@@H](CC(=O)N(C)C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000330863357 386905651 /nfs/dbraw/zinc/90/56/51/386905651.db2.gz AOSSMQLDRQIFLC-CMPLNLGQSA-N 2 1 243.351 -0.491 20 0 BBADMP C[C@@H](CC(=O)N(C)C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000330863358 386905626 /nfs/dbraw/zinc/90/56/26/386905626.db2.gz AOSSMQLDRQIFLC-JQWIXIFHSA-N 2 1 243.351 -0.491 20 0 BBADMP C[C@@H](CC(=O)N(C)C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000330863358 386905621 /nfs/dbraw/zinc/90/56/21/386905621.db2.gz AOSSMQLDRQIFLC-JQWIXIFHSA-N 2 1 243.351 -0.491 20 0 BBADMP C[C@H](CC(=O)N(C)C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000330863359 386905563 /nfs/dbraw/zinc/90/55/63/386905563.db2.gz AOSSMQLDRQIFLC-PWSUYJOCSA-N 2 1 243.351 -0.491 20 0 BBADMP C[C@H](CC(=O)N(C)C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000330863359 386905559 /nfs/dbraw/zinc/90/55/59/386905559.db2.gz AOSSMQLDRQIFLC-PWSUYJOCSA-N 2 1 243.351 -0.491 20 0 BBADMP C[C@H](CC(=O)N(C)C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000330863360 386907027 /nfs/dbraw/zinc/90/70/27/386907027.db2.gz AOSSMQLDRQIFLC-ZYHUDNBSSA-N 2 1 243.351 -0.491 20 0 BBADMP C[C@H](CC(=O)N(C)C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000330863360 386907023 /nfs/dbraw/zinc/90/70/23/386907023.db2.gz AOSSMQLDRQIFLC-ZYHUDNBSSA-N 2 1 243.351 -0.491 20 0 BBADMP C[NH+](C)CC(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000330876743 386908281 /nfs/dbraw/zinc/90/82/81/386908281.db2.gz XAJUZSWWYMNNFA-LLVKDONJSA-N 2 1 243.351 -0.489 20 0 BBADMP C[NH+](C)CC(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000330876745 386769796 /nfs/dbraw/zinc/76/97/96/386769796.db2.gz XAJUZSWWYMNNFA-NSHDSACASA-N 2 1 243.351 -0.489 20 0 BBADMP CC[NH2+]CCNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000331979682 170114628 /nfs/dbraw/zinc/11/46/28/170114628.db2.gz MGJKNUICJUTIFP-LLVKDONJSA-N 2 1 246.330 -0.061 20 0 BBADMP CC[NH2+]CCNC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000331979701 170114433 /nfs/dbraw/zinc/11/44/33/170114433.db2.gz MGJKNUICJUTIFP-NSHDSACASA-N 2 1 246.330 -0.061 20 0 BBADMP CN(C(=O)NCC(F)(F)C[NH3+])C1CC([NH3+])C1 ZINC000332074184 172318920 /nfs/dbraw/zinc/31/89/20/172318920.db2.gz XNMJTKDKKAUIGP-UHFFFAOYSA-N 2 1 236.266 -0.289 20 0 BBADMP C[N@@H+](CCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC000333394531 387032378 /nfs/dbraw/zinc/03/23/78/387032378.db2.gz PFUFEVMAMVXNBP-URLYPYJESA-N 2 1 238.335 -0.402 20 0 BBADMP C[N@@H+](CCNC(=O)N[C@@H]1CC[NH2+]C1)C1CC1 ZINC000333412710 385259164 /nfs/dbraw/zinc/25/91/64/385259164.db2.gz RKMYMFRWYKITAT-SECBINFHSA-N 2 1 226.324 -0.258 20 0 BBADMP C[N@@H+](CCNC(=O)N[C@H]1CC[NH2+]C1)C1CC1 ZINC000333412714 487738374 /nfs/dbraw/zinc/73/83/74/487738374.db2.gz RKMYMFRWYKITAT-VIFPVBQESA-N 2 1 226.324 -0.258 20 0 BBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000333672936 177399522 /nfs/dbraw/zinc/39/95/22/177399522.db2.gz YNDVFECICPCBCN-ZJUUUORDSA-N 2 1 241.335 -0.426 20 0 BBADMP O=C(NCC[N@@H+]1CC=CCC1)N[C@@H]1CC[NH2+]C1 ZINC000333714715 182182835 /nfs/dbraw/zinc/18/28/35/182182835.db2.gz SVFLYNPIFBDEPP-LLVKDONJSA-N 2 1 238.335 -0.091 20 0 BBADMP O=C(NCC[N@@H+]1CC=CCC1)N[C@H]1CC[NH2+]C1 ZINC000333714717 182182180 /nfs/dbraw/zinc/18/21/80/182182180.db2.gz SVFLYNPIFBDEPP-NSHDSACASA-N 2 1 238.335 -0.091 20 0 BBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000333755981 387054428 /nfs/dbraw/zinc/05/44/28/387054428.db2.gz ZTHDPVOSIXNLQA-GXSJLCMTSA-N 2 1 244.314 -0.309 20 0 BBADMP C[C@]1(F)C[NH2+]CCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000333755986 384441657 /nfs/dbraw/zinc/44/16/57/384441657.db2.gz ZTHDPVOSIXNLQA-KOLCDFICSA-N 2 1 244.314 -0.309 20 0 BBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000333755987 384440530 /nfs/dbraw/zinc/44/05/30/384440530.db2.gz ZTHDPVOSIXNLQA-MWLCHTKSSA-N 2 1 244.314 -0.309 20 0 BBADMP C[C@]1(F)C[NH2+]CCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000333755995 384314607 /nfs/dbraw/zinc/31/46/07/384314607.db2.gz ZTHDPVOSIXNLQA-ONGXEEELSA-N 2 1 244.314 -0.309 20 0 BBADMP CC1(C(=O)NCC[N@H+]2CCCOCC2)C[NH2+]C1 ZINC000333804009 387057035 /nfs/dbraw/zinc/05/70/35/387057035.db2.gz IGKNLWBDDVEPII-UHFFFAOYSA-N 2 1 241.335 -0.566 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333949073 173055471 /nfs/dbraw/zinc/05/54/71/173055471.db2.gz WXRIYUUPDPVFPR-UKKRHICBSA-N 2 1 238.335 -0.402 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333949074 173031139 /nfs/dbraw/zinc/03/11/39/173031139.db2.gz WXRIYUUPDPVFPR-ZNSHCXBVSA-N 2 1 238.335 -0.402 20 0 BBADMP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+]CC1(F)F ZINC000334151744 182304544 /nfs/dbraw/zinc/30/45/44/182304544.db2.gz LICIQPNXCKPVCR-HTQZYQBOSA-N 2 1 233.262 -0.291 20 0 BBADMP O=C(N[C@H]1CC[NH2+]C1)[C@H]1CC[NH2+]CC1(F)F ZINC000334151751 182336178 /nfs/dbraw/zinc/33/61/78/182336178.db2.gz LICIQPNXCKPVCR-JGVFFNPUSA-N 2 1 233.262 -0.291 20 0 BBADMP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]CC1(F)F ZINC000334151753 182303955 /nfs/dbraw/zinc/30/39/55/182303955.db2.gz LICIQPNXCKPVCR-SFYZADRCSA-N 2 1 233.262 -0.291 20 0 BBADMP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]CC1(F)F ZINC000334151755 182336797 /nfs/dbraw/zinc/33/67/97/182336797.db2.gz LICIQPNXCKPVCR-YUMQZZPRSA-N 2 1 233.262 -0.291 20 0 BBADMP C[C@@H](C[NH+](C)C)NC(=O)N1CC[NH+](C)CC1 ZINC000334460592 386125340 /nfs/dbraw/zinc/12/53/40/386125340.db2.gz NKUFYKLDFNDMAF-JTQLQIEISA-N 2 1 228.340 -0.107 20 0 BBADMP C[NH+]1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000334594940 354227021 /nfs/dbraw/zinc/22/70/21/354227021.db2.gz JWCZGRQAJDJGCM-CMPLNLGQSA-N 2 1 223.320 -0.240 20 0 BBADMP C[NH+]1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000334594948 354227442 /nfs/dbraw/zinc/22/74/42/354227442.db2.gz JWCZGRQAJDJGCM-JQWIXIFHSA-N 2 1 223.320 -0.240 20 0 BBADMP C[NH+]1CCN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000334594951 354227390 /nfs/dbraw/zinc/22/73/90/354227390.db2.gz JWCZGRQAJDJGCM-PWSUYJOCSA-N 2 1 223.320 -0.240 20 0 BBADMP C[NH+]1CCN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000334594954 354227294 /nfs/dbraw/zinc/22/72/94/354227294.db2.gz JWCZGRQAJDJGCM-ZYHUDNBSSA-N 2 1 223.320 -0.240 20 0 BBADMP C[C@@H]1C[C@H](C[N@H+]2CCNC(=O)C2)CC[NH2+]1 ZINC000334824869 384564644 /nfs/dbraw/zinc/56/46/44/384564644.db2.gz HFNXSWRSMRAXCT-NXEZZACHSA-N 2 1 211.309 -0.194 20 0 BBADMP C[C@H]1C[C@@H](C[N@H+]2CCNC(=O)C2)CC[NH2+]1 ZINC000334824870 386956516 /nfs/dbraw/zinc/95/65/16/386956516.db2.gz HFNXSWRSMRAXCT-UWVGGRQHSA-N 2 1 211.309 -0.194 20 0 BBADMP C[C@H]1C[C@H](C[N@H+]2CCNC(=O)C2)CC[NH2+]1 ZINC000334824871 386955807 /nfs/dbraw/zinc/95/58/07/386955807.db2.gz HFNXSWRSMRAXCT-VHSXEESVSA-N 2 1 211.309 -0.194 20 0 BBADMP C[C@@H]1C[C@@H](C[N@H+]2CCNC(=O)C2)CC[NH2+]1 ZINC000334824872 386956605 /nfs/dbraw/zinc/95/66/05/386956605.db2.gz HFNXSWRSMRAXCT-ZJUUUORDSA-N 2 1 211.309 -0.194 20 0 BBADMP O=C(N[C@@H]1CC[NH2+]C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000334926203 387001043 /nfs/dbraw/zinc/00/10/43/387001043.db2.gz OPDYCALEWPAZGZ-GHMZBOCLSA-N 2 1 238.335 -0.162 20 0 BBADMP O=C(N[C@@H]1CC[NH2+]C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000334926204 387001528 /nfs/dbraw/zinc/00/15/28/387001528.db2.gz OPDYCALEWPAZGZ-MNOVXSKESA-N 2 1 238.335 -0.162 20 0 BBADMP O=C(N[C@H]1CC[NH2+]C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000334926205 387001269 /nfs/dbraw/zinc/00/12/69/387001269.db2.gz OPDYCALEWPAZGZ-QWRGUYRKSA-N 2 1 238.335 -0.162 20 0 BBADMP O=C(N[C@H]1CC[NH2+]C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000334926206 387001957 /nfs/dbraw/zinc/00/19/57/387001957.db2.gz OPDYCALEWPAZGZ-WDEREUQCSA-N 2 1 238.335 -0.162 20 0 BBADMP C[NH+]1CCN(C(=O)NCC2([NH3+])CCC2)CC1 ZINC000334933596 536405470 /nfs/dbraw/zinc/40/54/70/536405470.db2.gz VKACAQNCOBAVCT-UHFFFAOYSA-N 2 1 226.324 -0.175 20 0 BBADMP CC[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000334934162 350216554 /nfs/dbraw/zinc/21/65/54/350216554.db2.gz UXEVDDJMTMJEIL-JTQLQIEISA-N 2 1 226.324 -0.305 20 0 BBADMP CC[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000334934165 387011195 /nfs/dbraw/zinc/01/11/95/387011195.db2.gz UXEVDDJMTMJEIL-SNVBAGLBSA-N 2 1 226.324 -0.305 20 0 BBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[NH+](C)CC1 ZINC000334936325 387012156 /nfs/dbraw/zinc/01/21/56/387012156.db2.gz SKRPEZYGFUNILZ-GHMZBOCLSA-N 2 1 240.351 -0.059 20 0 BBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[NH+](C)CC1 ZINC000334936326 387012977 /nfs/dbraw/zinc/01/29/77/387012977.db2.gz SKRPEZYGFUNILZ-MNOVXSKESA-N 2 1 240.351 -0.059 20 0 BBADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[NH+](C)CC1 ZINC000334936327 135845474 /nfs/dbraw/zinc/84/54/74/135845474.db2.gz SKRPEZYGFUNILZ-QWRGUYRKSA-N 2 1 240.351 -0.059 20 0 BBADMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[NH+](C)CC1 ZINC000334936328 387012051 /nfs/dbraw/zinc/01/20/51/387012051.db2.gz SKRPEZYGFUNILZ-WDEREUQCSA-N 2 1 240.351 -0.059 20 0 BBADMP C[NH+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000334936354 135845496 /nfs/dbraw/zinc/84/54/96/135845496.db2.gz ULJPQBLZWVTVDL-SNVBAGLBSA-N 2 1 226.324 -0.305 20 0 BBADMP C[NH+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000334936462 387012096 /nfs/dbraw/zinc/01/20/96/387012096.db2.gz JGOIHUUEMRAZBZ-JTQLQIEISA-N 2 1 226.324 -0.305 20 0 BBADMP C[NH+]1CCN(C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000334936463 135845470 /nfs/dbraw/zinc/84/54/70/135845470.db2.gz JGOIHUUEMRAZBZ-SNVBAGLBSA-N 2 1 226.324 -0.305 20 0 BBADMP C[NH+]1CCN(C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000334937979 387013975 /nfs/dbraw/zinc/01/39/75/387013975.db2.gz NRRDCKYVZMZWQT-JTQLQIEISA-N 2 1 226.324 -0.319 20 0 BBADMP C[NH+]1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000334937988 387014425 /nfs/dbraw/zinc/01/44/25/387014425.db2.gz NRRDCKYVZMZWQT-SNVBAGLBSA-N 2 1 226.324 -0.319 20 0 BBADMP O=C(N[C@H]1CC[NH2+]C1)N1CC[NH+](C2CC2)CC1 ZINC000334938319 387013760 /nfs/dbraw/zinc/01/37/60/387013760.db2.gz PGNKQOARHXPMNL-JTQLQIEISA-N 2 1 238.335 -0.162 20 0 BBADMP O=C(N[C@@H]1CC[NH2+]C1)N1CC[NH+](C2CC2)CC1 ZINC000334938322 387014089 /nfs/dbraw/zinc/01/40/89/387014089.db2.gz PGNKQOARHXPMNL-SNVBAGLBSA-N 2 1 238.335 -0.162 20 0 BBADMP CC[NH+]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000334938622 387016337 /nfs/dbraw/zinc/01/63/37/387016337.db2.gz CGTGIVJNFMURBD-URLYPYJESA-N 2 1 238.335 -0.449 20 0 BBADMP C[NH2+]CCNC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000334941237 387019318 /nfs/dbraw/zinc/01/93/18/387019318.db2.gz QSPJIYGLXBKBDZ-AOOOYVTPSA-N 2 1 228.340 -0.060 20 0 BBADMP C[NH+]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000334941295 387018619 /nfs/dbraw/zinc/01/86/19/387018619.db2.gz ULJPQBLZWVTVDL-JTQLQIEISA-N 2 1 226.324 -0.305 20 0 BBADMP C[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000334949730 387111726 /nfs/dbraw/zinc/11/17/26/387111726.db2.gz CJXMZMUCFWIBII-JTQLQIEISA-N 2 1 226.324 -0.319 20 0 BBADMP C[NH+]1CCN(C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000334949731 387112785 /nfs/dbraw/zinc/11/27/85/387112785.db2.gz CJXMZMUCFWIBII-SNVBAGLBSA-N 2 1 226.324 -0.319 20 0 BBADMP C[C@@H](C[NH3+])CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000334958513 387037884 /nfs/dbraw/zinc/03/78/84/387037884.db2.gz XHZGKEUKNXKXBY-GXSJLCMTSA-N 2 1 246.330 -0.076 20 0 BBADMP C[C@H](C[NH3+])CNC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000334958514 387037482 /nfs/dbraw/zinc/03/74/82/387037482.db2.gz XHZGKEUKNXKXBY-KOLCDFICSA-N 2 1 246.330 -0.076 20 0 BBADMP C[C@H](C[NH3+])CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000334958515 387038086 /nfs/dbraw/zinc/03/80/86/387038086.db2.gz XHZGKEUKNXKXBY-MWLCHTKSSA-N 2 1 246.330 -0.076 20 0 BBADMP C[C@@H](C[NH3+])CNC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000334958516 387037289 /nfs/dbraw/zinc/03/72/89/387037289.db2.gz XHZGKEUKNXKXBY-ONGXEEELSA-N 2 1 246.330 -0.076 20 0 BBADMP CC1(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)C[NH2+]C1 ZINC000335011610 387106426 /nfs/dbraw/zinc/10/64/26/387106426.db2.gz SURXGLCNOCSENT-LLVKDONJSA-N 2 1 229.299 -0.244 20 0 BBADMP CC1(C(=O)N2CC[NH2+]C[C@](C)(F)C2)C[NH2+]C1 ZINC000335011611 387106731 /nfs/dbraw/zinc/10/67/31/387106731.db2.gz SURXGLCNOCSENT-NSHDSACASA-N 2 1 229.299 -0.244 20 0 BBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)C1(C)C[NH2+]C1 ZINC000335029243 384777383 /nfs/dbraw/zinc/77/73/83/384777383.db2.gz NZGHEMIDNURXBW-SECBINFHSA-N 2 1 211.309 -0.242 20 0 BBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)C1(C)C[NH2+]C1 ZINC000335029243 384777376 /nfs/dbraw/zinc/77/73/76/384777376.db2.gz NZGHEMIDNURXBW-SECBINFHSA-N 2 1 211.309 -0.242 20 0 BBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)C1(C)C[NH2+]C1 ZINC000335029245 384777846 /nfs/dbraw/zinc/77/78/46/384777846.db2.gz NZGHEMIDNURXBW-VIFPVBQESA-N 2 1 211.309 -0.242 20 0 BBADMP C[C@H]1C[N@H+](C)CCN1C(=O)C1(C)C[NH2+]C1 ZINC000335029245 384777842 /nfs/dbraw/zinc/77/78/42/384777842.db2.gz NZGHEMIDNURXBW-VIFPVBQESA-N 2 1 211.309 -0.242 20 0 BBADMP C[NH+]1CCN(C(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000335036149 385926353 /nfs/dbraw/zinc/92/63/53/385926353.db2.gz LSCBAABBOKHZMO-JTQLQIEISA-N 2 1 211.309 -0.112 20 0 BBADMP C[NH+]1CCN(C(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000335036150 384776584 /nfs/dbraw/zinc/77/65/84/384776584.db2.gz LSCBAABBOKHZMO-SNVBAGLBSA-N 2 1 211.309 -0.112 20 0 BBADMP CC1(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C[NH2+]C1 ZINC000335045072 388448673 /nfs/dbraw/zinc/44/86/73/388448673.db2.gz XBWLEKWPKKSGCE-SECBINFHSA-N 2 1 223.320 -0.051 20 0 BBADMP CC1(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C[NH2+]C1 ZINC000335045073 388448287 /nfs/dbraw/zinc/44/82/87/388448287.db2.gz XBWLEKWPKKSGCE-VIFPVBQESA-N 2 1 223.320 -0.051 20 0 BBADMP CC1(C(=O)N2CC[NH+](C3CC3)CC2)C[NH2+]C1 ZINC000335063126 384788767 /nfs/dbraw/zinc/78/87/67/384788767.db2.gz VIBJVQVNNUVRQT-UHFFFAOYSA-N 2 1 223.320 -0.098 20 0 BBADMP CC[NH+]1CCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000335064418 386035542 /nfs/dbraw/zinc/03/55/42/386035542.db2.gz CWWXTXOHXQJNSF-UHFFFAOYSA-N 2 1 211.309 -0.240 20 0 BBADMP CC(C)[C@@H]1CN(C(=O)NCC[NH3+])CC[N@H+]1C ZINC000335293972 136005704 /nfs/dbraw/zinc/00/57/04/136005704.db2.gz JXBQHGAYZOUHTP-JTQLQIEISA-N 2 1 228.340 -0.073 20 0 BBADMP CC(C)[C@H]1CN(C(=O)NCC[NH3+])CC[N@H+]1C ZINC000335293973 136005623 /nfs/dbraw/zinc/00/56/23/136005623.db2.gz JXBQHGAYZOUHTP-SNVBAGLBSA-N 2 1 228.340 -0.073 20 0 BBADMP CC(C)[C@@H]([NH3+])CNC(=O)N1CC[NH+](C)CC1 ZINC000335304895 136021767 /nfs/dbraw/zinc/02/17/67/136021767.db2.gz PATWJCRRSQDXPR-JTQLQIEISA-N 2 1 228.340 -0.073 20 0 BBADMP CC(C)[C@H]([NH3+])CNC(=O)N1CC[NH+](C)CC1 ZINC000335304897 188180828 /nfs/dbraw/zinc/18/08/28/188180828.db2.gz PATWJCRRSQDXPR-SNVBAGLBSA-N 2 1 228.340 -0.073 20 0 BBADMP C[NH2+]CC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000335340449 173326038 /nfs/dbraw/zinc/32/60/38/173326038.db2.gz CDCCPXCAUOXVDW-SECBINFHSA-N 2 1 203.261 -0.634 20 0 BBADMP C[NH2+]CC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000335340450 136063996 /nfs/dbraw/zinc/06/39/96/136063996.db2.gz CDCCPXCAUOXVDW-VIFPVBQESA-N 2 1 203.261 -0.634 20 0 BBADMP C[NH2+]CCC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000335341066 136064065 /nfs/dbraw/zinc/06/40/65/136064065.db2.gz CUSMEDSLSHSYAZ-JTQLQIEISA-N 2 1 217.288 -0.244 20 0 BBADMP C[NH2+]CCC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000335341067 136063838 /nfs/dbraw/zinc/06/38/38/136063838.db2.gz CUSMEDSLSHSYAZ-SNVBAGLBSA-N 2 1 217.288 -0.244 20 0 BBADMP CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000335341184 536139790 /nfs/dbraw/zinc/13/97/90/536139790.db2.gz GFMXKTZAWGFTIY-WCBMZHEXSA-N 2 1 217.288 -0.116 20 0 BBADMP CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000335341185 536140010 /nfs/dbraw/zinc/14/00/10/536140010.db2.gz GFMXKTZAWGFTIY-WPRPVWTQSA-N 2 1 217.288 -0.116 20 0 BBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000335341342 136064153 /nfs/dbraw/zinc/06/41/53/136064153.db2.gz IBNLHFHIEIKEQJ-PSASIEDQSA-N 2 1 215.272 -0.492 20 0 BBADMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000335341343 384630145 /nfs/dbraw/zinc/63/01/45/384630145.db2.gz IBNLHFHIEIKEQJ-SCZZXKLOSA-N 2 1 215.272 -0.492 20 0 BBADMP C[C@]1(F)C[NH2+]CCN(C(=O)CCC[NH3+])C1 ZINC000335341522 136064286 /nfs/dbraw/zinc/06/42/86/136064286.db2.gz LCLKXVIWEFPMGL-JTQLQIEISA-N 2 1 217.288 -0.115 20 0 BBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)CCC[NH3+])C1 ZINC000335341523 136064223 /nfs/dbraw/zinc/06/42/23/136064223.db2.gz LCLKXVIWEFPMGL-SNVBAGLBSA-N 2 1 217.288 -0.115 20 0 BBADMP C[C@H](C[NH3+])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000335341814 136064319 /nfs/dbraw/zinc/06/43/19/136064319.db2.gz NPMGSGIBDXXTAN-PSASIEDQSA-N 2 1 217.288 -0.259 20 0 BBADMP C[C@H](C[NH3+])C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000335341815 136064196 /nfs/dbraw/zinc/06/41/96/136064196.db2.gz NPMGSGIBDXXTAN-SCZZXKLOSA-N 2 1 217.288 -0.259 20 0 BBADMP C[C@@H](C[NH3+])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000335341816 136064312 /nfs/dbraw/zinc/06/43/12/136064312.db2.gz NPMGSGIBDXXTAN-WCBMZHEXSA-N 2 1 217.288 -0.259 20 0 BBADMP C[C@@H](C[NH3+])C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000335341817 136064243 /nfs/dbraw/zinc/06/42/43/136064243.db2.gz NPMGSGIBDXXTAN-WPRPVWTQSA-N 2 1 217.288 -0.259 20 0 BBADMP C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000335341835 136064543 /nfs/dbraw/zinc/06/45/43/136064543.db2.gz OCBPBRFIBPZPSS-APPZFPTMSA-N 2 1 203.261 -0.506 20 0 BBADMP C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000335341836 136064495 /nfs/dbraw/zinc/06/44/95/136064495.db2.gz OCBPBRFIBPZPSS-CBAPKCEASA-N 2 1 203.261 -0.506 20 0 BBADMP C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000335341837 136064360 /nfs/dbraw/zinc/06/43/60/136064360.db2.gz OCBPBRFIBPZPSS-IONNQARKSA-N 2 1 203.261 -0.506 20 0 BBADMP C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000335341838 136064547 /nfs/dbraw/zinc/06/45/47/136064547.db2.gz OCBPBRFIBPZPSS-VXNVDRBHSA-N 2 1 203.261 -0.506 20 0 BBADMP CC(C)([NH3+])C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000335342243 188010153 /nfs/dbraw/zinc/01/01/53/188010153.db2.gz SKLWMFWPKSTLIU-JTQLQIEISA-N 2 1 217.288 -0.116 20 0 BBADMP CC(C)([NH3+])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000335342244 535196336 /nfs/dbraw/zinc/19/63/36/535196336.db2.gz SKLWMFWPKSTLIU-SNVBAGLBSA-N 2 1 217.288 -0.116 20 0 BBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)CC[NH3+])C1 ZINC000335342544 136064706 /nfs/dbraw/zinc/06/47/06/136064706.db2.gz VTFZCOXGYLSEQS-SECBINFHSA-N 2 1 203.261 -0.505 20 0 BBADMP C[C@]1(F)C[NH2+]CCN(C(=O)CC[NH3+])C1 ZINC000335342545 386193301 /nfs/dbraw/zinc/19/33/01/386193301.db2.gz VTFZCOXGYLSEQS-VIFPVBQESA-N 2 1 203.261 -0.505 20 0 BBADMP C[C@H]([NH3+])CC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000335342577 136064880 /nfs/dbraw/zinc/06/48/80/136064880.db2.gz WVSUEHMQWNFIQE-WCBMZHEXSA-N 2 1 217.288 -0.116 20 0 BBADMP C[C@H]([NH3+])CC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000335342578 136064886 /nfs/dbraw/zinc/06/48/86/136064886.db2.gz WVSUEHMQWNFIQE-WPRPVWTQSA-N 2 1 217.288 -0.116 20 0 BBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)C2([NH3+])CC2)C1 ZINC000335362847 136081790 /nfs/dbraw/zinc/08/17/90/136081790.db2.gz TWICILFGTCRABF-SECBINFHSA-N 2 1 215.272 -0.362 20 0 BBADMP C[C@]1(F)C[NH2+]CCN(C(=O)C2([NH3+])CC2)C1 ZINC000335362893 386207039 /nfs/dbraw/zinc/20/70/39/386207039.db2.gz TWICILFGTCRABF-VIFPVBQESA-N 2 1 215.272 -0.362 20 0 BBADMP C[N@H+]1CC[C@H]2CCN(C(=O)NC3C[NH2+]C3)[C@@H]2C1 ZINC000335377039 136085999 /nfs/dbraw/zinc/08/59/99/136085999.db2.gz GYNOWIUGGULVJN-GXSJLCMTSA-N 2 1 238.335 -0.306 20 0 BBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NC3C[NH2+]C3)[C@H]2C1 ZINC000335377040 136085975 /nfs/dbraw/zinc/08/59/75/136085975.db2.gz GYNOWIUGGULVJN-KOLCDFICSA-N 2 1 238.335 -0.306 20 0 BBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NC3C[NH2+]C3)[C@@H]2C1 ZINC000335377041 136086061 /nfs/dbraw/zinc/08/60/61/136086061.db2.gz GYNOWIUGGULVJN-MWLCHTKSSA-N 2 1 238.335 -0.306 20 0 BBADMP C[N@H+]1CC[C@H]2CCN(C(=O)NC3C[NH2+]C3)[C@H]2C1 ZINC000335377042 136085931 /nfs/dbraw/zinc/08/59/31/136085931.db2.gz GYNOWIUGGULVJN-ONGXEEELSA-N 2 1 238.335 -0.306 20 0 BBADMP O=C(NC1C[NH2+]C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000335386733 136089202 /nfs/dbraw/zinc/08/92/02/136089202.db2.gz MVYLDMDZUORZAM-LLVKDONJSA-N 2 1 238.335 -0.162 20 0 BBADMP O=C(NC1C[NH2+]C1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000335386734 136089359 /nfs/dbraw/zinc/08/93/59/136089359.db2.gz MVYLDMDZUORZAM-NSHDSACASA-N 2 1 238.335 -0.162 20 0 BBADMP C[C@]1(F)C[NH2+]CCN(C(=O)NC2C[NH2+]C2)C1 ZINC000335393233 136091239 /nfs/dbraw/zinc/09/12/39/136091239.db2.gz CXHJCRXLBOLKAQ-JTQLQIEISA-N 2 1 230.287 -0.699 20 0 BBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)NC2C[NH2+]C2)C1 ZINC000335393252 136091270 /nfs/dbraw/zinc/09/12/70/136091270.db2.gz CXHJCRXLBOLKAQ-SNVBAGLBSA-N 2 1 230.287 -0.699 20 0 BBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC1C[NH2+]C1 ZINC000335395299 136092116 /nfs/dbraw/zinc/09/21/16/136092116.db2.gz MVTRSZVFRHZXFJ-LLVKDONJSA-N 2 1 240.351 -0.060 20 0 BBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC1C[NH2+]C1 ZINC000335395671 136092403 /nfs/dbraw/zinc/09/24/03/136092403.db2.gz MVTRSZVFRHZXFJ-NSHDSACASA-N 2 1 240.351 -0.060 20 0 BBADMP C[N@H+]1CC[C@@]2(CCN(C(=O)NC3C[NH2+]C3)C2)C1 ZINC000335396529 136092725 /nfs/dbraw/zinc/09/27/25/136092725.db2.gz QRIMJFDSERIAON-GFCCVEGCSA-N 2 1 238.335 -0.305 20 0 BBADMP C[N@H+]1CC[C@]2(CCN(C(=O)NC3C[NH2+]C3)C2)C1 ZINC000335396530 136092705 /nfs/dbraw/zinc/09/27/05/136092705.db2.gz QRIMJFDSERIAON-LBPRGKRZSA-N 2 1 238.335 -0.305 20 0 BBADMP CNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335397764 173275054 /nfs/dbraw/zinc/27/50/54/173275054.db2.gz YAKNFXWBMYWTIZ-AOOOYVTPSA-N 2 1 211.309 -0.336 20 0 BBADMP [NH3+]CC[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000335399207 136093770 /nfs/dbraw/zinc/09/37/70/136093770.db2.gz MWQCMSJRFZQJEB-NXEZZACHSA-N 2 1 211.309 -0.064 20 0 BBADMP [NH3+]CC[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC000335399209 136093650 /nfs/dbraw/zinc/09/36/50/136093650.db2.gz MWQCMSJRFZQJEB-UWVGGRQHSA-N 2 1 211.309 -0.064 20 0 BBADMP [NH3+]CC[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000335399211 136093831 /nfs/dbraw/zinc/09/38/31/136093831.db2.gz MWQCMSJRFZQJEB-VHSXEESVSA-N 2 1 211.309 -0.064 20 0 BBADMP [NH3+]CC[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC000335399213 136093957 /nfs/dbraw/zinc/09/39/57/136093957.db2.gz MWQCMSJRFZQJEB-ZJUUUORDSA-N 2 1 211.309 -0.064 20 0 BBADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1C[NH2+]C1 ZINC000335403628 386557411 /nfs/dbraw/zinc/55/74/11/386557411.db2.gz LWDINMAOEDWLJD-GXSJLCMTSA-N 2 1 238.335 -0.164 20 0 BBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1C[NH2+]C1 ZINC000335403629 386558570 /nfs/dbraw/zinc/55/85/70/386558570.db2.gz LWDINMAOEDWLJD-KOLCDFICSA-N 2 1 238.335 -0.164 20 0 BBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1C[NH2+]C1 ZINC000335403630 386558052 /nfs/dbraw/zinc/55/80/52/386558052.db2.gz LWDINMAOEDWLJD-MWLCHTKSSA-N 2 1 238.335 -0.164 20 0 BBADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1C[NH2+]C1 ZINC000335403632 386558128 /nfs/dbraw/zinc/55/81/28/386558128.db2.gz LWDINMAOEDWLJD-ONGXEEELSA-N 2 1 238.335 -0.164 20 0 BBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NC1C[NH2+]C1 ZINC000335404886 386561605 /nfs/dbraw/zinc/56/16/05/386561605.db2.gz SAGBLCZAKVKQPX-SECBINFHSA-N 2 1 226.324 -0.306 20 0 BBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)NC1C[NH2+]C1 ZINC000335404888 386559952 /nfs/dbraw/zinc/55/99/52/386559952.db2.gz SAGBLCZAKVKQPX-VIFPVBQESA-N 2 1 226.324 -0.306 20 0 BBADMP C[C@H](C[NH3+])NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000335417363 133860804 /nfs/dbraw/zinc/86/08/04/133860804.db2.gz ZXPXSBIJCIJATD-SECBINFHSA-N 2 1 226.324 -0.177 20 0 BBADMP C[C@@H]1CN(C(=O)NCC(F)(F)C[NH3+])CC[NH2+]1 ZINC000335420998 386592164 /nfs/dbraw/zinc/59/21/64/386592164.db2.gz KOCOEMHJGXOBQY-SSDOTTSWSA-N 2 1 236.266 -0.416 20 0 BBADMP C[C@H]1CN(C(=O)NCC(F)(F)C[NH3+])CC[NH2+]1 ZINC000335420999 386591996 /nfs/dbraw/zinc/59/19/96/386591996.db2.gz KOCOEMHJGXOBQY-ZETCQYMHSA-N 2 1 236.266 -0.416 20 0 BBADMP CC(C)[NH+]1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000335431578 384273534 /nfs/dbraw/zinc/27/35/34/384273534.db2.gz JCPBOUOFJDSXFB-SNVBAGLBSA-N 2 1 211.309 -0.099 20 0 BBADMP C[NH+]1CCN(C(=O)CC2(C[NH3+])CC2)CC1 ZINC000335445711 386508425 /nfs/dbraw/zinc/50/84/25/386508425.db2.gz NYWFANMAZRNJNR-UHFFFAOYSA-N 2 1 211.309 -0.111 20 0 BBADMP CC[NH+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000335453874 386528482 /nfs/dbraw/zinc/52/84/82/386528482.db2.gz GRWDGQHLMNLWGK-AOOOYVTPSA-N 2 1 211.309 -0.112 20 0 BBADMP C[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000335471836 386692371 /nfs/dbraw/zinc/69/23/71/386692371.db2.gz FRLLFUNGBLEFIG-AOOOYVTPSA-N 2 1 211.309 -0.112 20 0 BBADMP C[N@H+]1CCCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000335497359 384302696 /nfs/dbraw/zinc/30/26/96/384302696.db2.gz WAFODQUVAXNSOH-UHFFFAOYSA-N 2 1 211.309 -0.240 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC000335506343 398341615 /nfs/dbraw/zinc/34/16/15/398341615.db2.gz YPKMZJJNXMCUGQ-SECBINFHSA-N 2 1 211.309 -0.194 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC000335506344 398341649 /nfs/dbraw/zinc/34/16/49/398341649.db2.gz YPKMZJJNXMCUGQ-VIFPVBQESA-N 2 1 211.309 -0.194 20 0 BBADMP CN1C[C@@H]([NH2+]C2CC[NH+](C)CC2)CC1=O ZINC000335565369 632501371 /nfs/dbraw/zinc/50/13/71/632501371.db2.gz IWKMLOYZLHIXFI-JTQLQIEISA-N 2 1 211.309 -0.099 20 0 BBADMP CN1C[C@H]([NH2+]C2CC[NH+](C)CC2)CC1=O ZINC000335565371 188082707 /nfs/dbraw/zinc/08/27/07/188082707.db2.gz IWKMLOYZLHIXFI-SNVBAGLBSA-N 2 1 211.309 -0.099 20 0 BBADMP CNC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000335570539 173273535 /nfs/dbraw/zinc/27/35/35/173273535.db2.gz BBZYFIJAJIWSDQ-UHFFFAOYSA-N 2 1 211.309 -0.192 20 0 BBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCC[NH3+] ZINC000335604894 136235891 /nfs/dbraw/zinc/23/58/91/136235891.db2.gz FILZBVUIJJKWSN-JTQLQIEISA-N 2 1 228.340 -0.073 20 0 BBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCC[NH3+] ZINC000335604895 136235847 /nfs/dbraw/zinc/23/58/47/136235847.db2.gz FILZBVUIJJKWSN-SNVBAGLBSA-N 2 1 228.340 -0.073 20 0 BBADMP C[C@@H]1CN(C(=O)NCC[NH3+])C[C@H](C)[N@@H+]1C ZINC000335609469 136239266 /nfs/dbraw/zinc/23/92/66/136239266.db2.gz WSWWAURHXBGHHN-DTORHVGOSA-N 2 1 214.313 -0.321 20 0 BBADMP CC1(C)CN(C(=O)[C@H]2CSC[NH2+]2)CC[NH2+]1 ZINC000335621877 136239808 /nfs/dbraw/zinc/23/98/08/136239808.db2.gz AXXUQEDDUAXWNQ-MRVPVSSYSA-N 2 1 229.349 -0.141 20 0 BBADMP CC1(C)CN(C(=O)[C@@H]2CSC[NH2+]2)CC[NH2+]1 ZINC000335621878 535344955 /nfs/dbraw/zinc/34/49/55/535344955.db2.gz AXXUQEDDUAXWNQ-QMMMGPOBSA-N 2 1 229.349 -0.141 20 0 BBADMP C[N@H+]1CC[C@H](CNC(=O)C2(C)C[NH2+]C2)C1 ZINC000335648749 136304727 /nfs/dbraw/zinc/30/47/27/136304727.db2.gz KMGNJGJPSONCFR-SECBINFHSA-N 2 1 211.309 -0.336 20 0 BBADMP C[N@H+]1CC[C@@H](CNC(=O)C2(C)C[NH2+]C2)C1 ZINC000335648751 388452882 /nfs/dbraw/zinc/45/28/82/388452882.db2.gz KMGNJGJPSONCFR-VIFPVBQESA-N 2 1 211.309 -0.336 20 0 BBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH3+])C1 ZINC000335655325 536473482 /nfs/dbraw/zinc/47/34/82/536473482.db2.gz ABOVWQRMBTYVRZ-NXEZZACHSA-N 2 1 211.309 -0.112 20 0 BBADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH3+])C1 ZINC000335655326 136306574 /nfs/dbraw/zinc/30/65/74/136306574.db2.gz ABOVWQRMBTYVRZ-UWVGGRQHSA-N 2 1 211.309 -0.112 20 0 BBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH3+])C1 ZINC000335655327 173136664 /nfs/dbraw/zinc/13/66/64/173136664.db2.gz ABOVWQRMBTYVRZ-VHSXEESVSA-N 2 1 211.309 -0.112 20 0 BBADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH3+])C1 ZINC000335655328 136306606 /nfs/dbraw/zinc/30/66/06/136306606.db2.gz ABOVWQRMBTYVRZ-ZJUUUORDSA-N 2 1 211.309 -0.112 20 0 BBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000336212286 134135155 /nfs/dbraw/zinc/13/51/55/134135155.db2.gz KFHKRGCZPIWUHS-GXSJLCMTSA-N 2 1 229.299 -0.102 20 0 BBADMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000336212287 134135091 /nfs/dbraw/zinc/13/50/91/134135091.db2.gz KFHKRGCZPIWUHS-KOLCDFICSA-N 2 1 229.299 -0.102 20 0 BBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000336212288 134135215 /nfs/dbraw/zinc/13/52/15/134135215.db2.gz KFHKRGCZPIWUHS-MWLCHTKSSA-N 2 1 229.299 -0.102 20 0 BBADMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000336212289 134134919 /nfs/dbraw/zinc/13/49/19/134134919.db2.gz KFHKRGCZPIWUHS-ONGXEEELSA-N 2 1 229.299 -0.102 20 0 BBADMP O=C([C@H]1CC[NH2+]1)N1CC[NH+](CC2CC2)CC1 ZINC000336407056 385356428 /nfs/dbraw/zinc/35/64/28/385356428.db2.gz OGLSUQJMAFVJFB-LLVKDONJSA-N 2 1 223.320 -0.098 20 0 BBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CC[NH2+]1 ZINC000336407067 182302195 /nfs/dbraw/zinc/30/21/95/182302195.db2.gz RSWOMGDOZYHEOC-PSASIEDQSA-N 2 1 209.293 -0.299 20 0 BBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CC[NH2+]1 ZINC000336407068 182334216 /nfs/dbraw/zinc/33/42/16/182334216.db2.gz RSWOMGDOZYHEOC-WCBMZHEXSA-N 2 1 209.293 -0.299 20 0 BBADMP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000336516783 347057644 /nfs/dbraw/zinc/05/76/44/347057644.db2.gz NNJXMJQOZRGTGT-BDAKNGLRSA-N 2 1 229.349 -0.141 20 0 BBADMP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000336516791 347057618 /nfs/dbraw/zinc/05/76/18/347057618.db2.gz NNJXMJQOZRGTGT-IUCAKERBSA-N 2 1 229.349 -0.141 20 0 BBADMP C[NH+](C)CC(=O)N1CC[NH+]2CCC1CC2 ZINC000336538518 387359955 /nfs/dbraw/zinc/35/99/55/387359955.db2.gz UZWFSYQQXKAZDV-UHFFFAOYSA-N 2 1 211.309 -0.145 20 0 BBADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCO)CCO ZINC000336642612 173026688 /nfs/dbraw/zinc/02/66/88/173026688.db2.gz AJQIRWABPRQMJN-LLVKDONJSA-N 2 1 216.325 -0.243 20 0 BBADMP C[N@@H+]1CCC[C@@H]1CC[NH+](CCO)CCO ZINC000336642612 173026684 /nfs/dbraw/zinc/02/66/84/173026684.db2.gz AJQIRWABPRQMJN-LLVKDONJSA-N 2 1 216.325 -0.243 20 0 BBADMP C[N@H+]1CCC[C@H]1CC[NH+](CCO)CCO ZINC000336642613 173050940 /nfs/dbraw/zinc/05/09/40/173050940.db2.gz AJQIRWABPRQMJN-NSHDSACASA-N 2 1 216.325 -0.243 20 0 BBADMP C[N@@H+]1CCC[C@H]1CC[NH+](CCO)CCO ZINC000336642613 173050938 /nfs/dbraw/zinc/05/09/38/173050938.db2.gz AJQIRWABPRQMJN-NSHDSACASA-N 2 1 216.325 -0.243 20 0 BBADMP COC[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336645312 386607276 /nfs/dbraw/zinc/60/72/76/386607276.db2.gz BMHXFFULKMNJRK-NXEZZACHSA-N 2 1 202.298 -0.323 20 0 BBADMP COC[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336645312 386607271 /nfs/dbraw/zinc/60/72/71/386607271.db2.gz BMHXFFULKMNJRK-NXEZZACHSA-N 2 1 202.298 -0.323 20 0 BBADMP COC[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336645315 386608272 /nfs/dbraw/zinc/60/82/72/386608272.db2.gz BMHXFFULKMNJRK-UWVGGRQHSA-N 2 1 202.298 -0.323 20 0 BBADMP COC[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336645315 386608269 /nfs/dbraw/zinc/60/82/69/386608269.db2.gz BMHXFFULKMNJRK-UWVGGRQHSA-N 2 1 202.298 -0.323 20 0 BBADMP COC[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336645316 386608165 /nfs/dbraw/zinc/60/81/65/386608165.db2.gz BMHXFFULKMNJRK-VHSXEESVSA-N 2 1 202.298 -0.323 20 0 BBADMP COC[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336645316 386608160 /nfs/dbraw/zinc/60/81/60/386608160.db2.gz BMHXFFULKMNJRK-VHSXEESVSA-N 2 1 202.298 -0.323 20 0 BBADMP COC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336645317 386607315 /nfs/dbraw/zinc/60/73/15/386607315.db2.gz BMHXFFULKMNJRK-ZJUUUORDSA-N 2 1 202.298 -0.323 20 0 BBADMP COC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336645317 386607309 /nfs/dbraw/zinc/60/73/09/386607309.db2.gz BMHXFFULKMNJRK-ZJUUUORDSA-N 2 1 202.298 -0.323 20 0 BBADMP C[N@@H+](C[C@H](O)CN1CCC[C@@H](O)C1)C1CC1 ZINC000336652487 384626535 /nfs/dbraw/zinc/62/65/35/384626535.db2.gz ILKRNSBTLPKZMR-NEPJUHHUSA-N 2 1 228.336 -0.102 20 0 BBADMP CC(C)COCC[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000336657804 188082884 /nfs/dbraw/zinc/08/28/84/188082884.db2.gz PVUZADJKKIZOEH-JTQLQIEISA-N 2 1 204.314 -0.090 20 0 BBADMP CC(C)COCC[N@H+](C)C[C@@H](O)C[NH3+] ZINC000336657804 188082882 /nfs/dbraw/zinc/08/28/82/188082882.db2.gz PVUZADJKKIZOEH-JTQLQIEISA-N 2 1 204.314 -0.090 20 0 BBADMP CC(C)COCC[N@@H+](C)C[C@H](O)C[NH3+] ZINC000336657817 206018873 /nfs/dbraw/zinc/01/88/73/206018873.db2.gz PVUZADJKKIZOEH-SNVBAGLBSA-N 2 1 204.314 -0.090 20 0 BBADMP CC(C)COCC[N@H+](C)C[C@H](O)C[NH3+] ZINC000336657817 206018867 /nfs/dbraw/zinc/01/88/67/206018867.db2.gz PVUZADJKKIZOEH-SNVBAGLBSA-N 2 1 204.314 -0.090 20 0 BBADMP CC(C)[C@@H](C[NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000336660122 167394523 /nfs/dbraw/zinc/39/45/23/167394523.db2.gz JKYSYNFRGDOZPK-SSDOTTSWSA-N 2 1 223.267 -0.073 20 0 BBADMP CC(C)[C@H](C[NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000336660125 388091834 /nfs/dbraw/zinc/09/18/34/388091834.db2.gz JKYSYNFRGDOZPK-ZETCQYMHSA-N 2 1 223.267 -0.073 20 0 BBADMP C[C@@H](O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000336661188 386300409 /nfs/dbraw/zinc/30/04/09/386300409.db2.gz FTIFCNZUDMTCPU-GFCCVEGCSA-N 2 1 229.368 -0.064 20 0 BBADMP C[C@H](O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000336661211 386300848 /nfs/dbraw/zinc/30/08/48/386300848.db2.gz FTIFCNZUDMTCPU-LBPRGKRZSA-N 2 1 229.368 -0.064 20 0 BBADMP C[N@@H+](C[C@@H](O)CN1CC[C@H](CO)C1)C1CC1 ZINC000336662681 388261094 /nfs/dbraw/zinc/26/10/94/388261094.db2.gz OSNRHJRICUPWHB-CMPLNLGQSA-N 2 1 228.336 -0.244 20 0 BBADMP C[N@H+](C[C@@H](O)CN1CC[C@H](CO)C1)C1CC1 ZINC000336662681 388261093 /nfs/dbraw/zinc/26/10/93/388261093.db2.gz OSNRHJRICUPWHB-CMPLNLGQSA-N 2 1 228.336 -0.244 20 0 BBADMP CN(C[C@@H](O)C[N@H+]1CC[C@H](CO)C1)C1CC1 ZINC000336662681 388261090 /nfs/dbraw/zinc/26/10/90/388261090.db2.gz OSNRHJRICUPWHB-CMPLNLGQSA-N 2 1 228.336 -0.244 20 0 BBADMP C[N@@H+](C[C@H](O)CN1CC[C@H](CO)C1)C1CC1 ZINC000336662686 388261271 /nfs/dbraw/zinc/26/12/71/388261271.db2.gz OSNRHJRICUPWHB-JQWIXIFHSA-N 2 1 228.336 -0.244 20 0 BBADMP C[N@H+](C[C@H](O)CN1CC[C@H](CO)C1)C1CC1 ZINC000336662686 388261269 /nfs/dbraw/zinc/26/12/69/388261269.db2.gz OSNRHJRICUPWHB-JQWIXIFHSA-N 2 1 228.336 -0.244 20 0 BBADMP CN(C[C@H](O)C[N@H+]1CC[C@H](CO)C1)C1CC1 ZINC000336662686 388261267 /nfs/dbraw/zinc/26/12/67/388261267.db2.gz OSNRHJRICUPWHB-JQWIXIFHSA-N 2 1 228.336 -0.244 20 0 BBADMP C[N@@H+](C[C@H](O)CN1CC[C@@H](CO)C1)C1CC1 ZINC000336662688 388260922 /nfs/dbraw/zinc/26/09/22/388260922.db2.gz OSNRHJRICUPWHB-PWSUYJOCSA-N 2 1 228.336 -0.244 20 0 BBADMP C[N@H+](C[C@H](O)CN1CC[C@@H](CO)C1)C1CC1 ZINC000336662688 388260921 /nfs/dbraw/zinc/26/09/21/388260921.db2.gz OSNRHJRICUPWHB-PWSUYJOCSA-N 2 1 228.336 -0.244 20 0 BBADMP CN(C[C@H](O)C[N@H+]1CC[C@@H](CO)C1)C1CC1 ZINC000336662688 388260919 /nfs/dbraw/zinc/26/09/19/388260919.db2.gz OSNRHJRICUPWHB-PWSUYJOCSA-N 2 1 228.336 -0.244 20 0 BBADMP C[N@@H+](C[C@@H](O)CN1CC[C@@H](CO)C1)C1CC1 ZINC000336662696 388261058 /nfs/dbraw/zinc/26/10/58/388261058.db2.gz OSNRHJRICUPWHB-ZYHUDNBSSA-N 2 1 228.336 -0.244 20 0 BBADMP C[N@H+](C[C@@H](O)CN1CC[C@@H](CO)C1)C1CC1 ZINC000336662696 388261056 /nfs/dbraw/zinc/26/10/56/388261056.db2.gz OSNRHJRICUPWHB-ZYHUDNBSSA-N 2 1 228.336 -0.244 20 0 BBADMP CN(C[C@@H](O)C[N@H+]1CC[C@@H](CO)C1)C1CC1 ZINC000336662696 388261054 /nfs/dbraw/zinc/26/10/54/388261054.db2.gz OSNRHJRICUPWHB-ZYHUDNBSSA-N 2 1 228.336 -0.244 20 0 BBADMP C[C@@H]1C[C@H](O)C[N@@H+]1C[C@H](O)CN(C)C1CC1 ZINC000336667826 386784839 /nfs/dbraw/zinc/78/48/39/386784839.db2.gz QLXUPVLECXHOJW-ADEWGFFLSA-N 2 1 228.336 -0.103 20 0 BBADMP C[C@@H]1C[C@H](O)CN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336667826 386784833 /nfs/dbraw/zinc/78/48/33/386784833.db2.gz QLXUPVLECXHOJW-ADEWGFFLSA-N 2 1 228.336 -0.103 20 0 BBADMP C[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000336667830 386786060 /nfs/dbraw/zinc/78/60/60/386786060.db2.gz QLXUPVLECXHOJW-USWWRNFRSA-N 2 1 228.336 -0.103 20 0 BBADMP C[C@@H]1C[C@H](O)CN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336667830 386786054 /nfs/dbraw/zinc/78/60/54/386786054.db2.gz QLXUPVLECXHOJW-USWWRNFRSA-N 2 1 228.336 -0.103 20 0 BBADMP C[C@@H]1C[C@@H](O)C[N@H+]1C[C@H](O)CN(C)C1CC1 ZINC000336667831 176382782 /nfs/dbraw/zinc/38/27/82/176382782.db2.gz QLXUPVLECXHOJW-YUSALJHKSA-N 2 1 228.336 -0.103 20 0 BBADMP C[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)CN(C)C1CC1 ZINC000336667831 176382780 /nfs/dbraw/zinc/38/27/80/176382780.db2.gz QLXUPVLECXHOJW-YUSALJHKSA-N 2 1 228.336 -0.103 20 0 BBADMP C[NH+](C)C[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC000336668083 386295817 /nfs/dbraw/zinc/29/58/17/386295817.db2.gz AEIFCVODHQBQNA-LLVKDONJSA-N 2 1 240.351 -0.105 20 0 BBADMP C[NH+](C)C[C@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC000336668083 386295813 /nfs/dbraw/zinc/29/58/13/386295813.db2.gz AEIFCVODHQBQNA-LLVKDONJSA-N 2 1 240.351 -0.105 20 0 BBADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC000336668084 386296776 /nfs/dbraw/zinc/29/67/76/386296776.db2.gz AEIFCVODHQBQNA-NSHDSACASA-N 2 1 240.351 -0.105 20 0 BBADMP C[NH+](C)C[C@@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC000336668084 386296773 /nfs/dbraw/zinc/29/67/73/386296773.db2.gz AEIFCVODHQBQNA-NSHDSACASA-N 2 1 240.351 -0.105 20 0 BBADMP CN(C[C@H](O)C[N@@H+](C)CCOCCO)C1CC1 ZINC000336668461 386792637 /nfs/dbraw/zinc/79/26/37/386792637.db2.gz AIUWASGGOOIJAF-GFCCVEGCSA-N 2 1 246.351 -0.618 20 0 BBADMP CN(C[C@H](O)C[N@H+](C)CCOCCO)C1CC1 ZINC000336668461 386792632 /nfs/dbraw/zinc/79/26/32/386792632.db2.gz AIUWASGGOOIJAF-GFCCVEGCSA-N 2 1 246.351 -0.618 20 0 BBADMP CN(CCOCCO)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336668461 386792623 /nfs/dbraw/zinc/79/26/23/386792623.db2.gz AIUWASGGOOIJAF-GFCCVEGCSA-N 2 1 246.351 -0.618 20 0 BBADMP CN(C[C@@H](O)C[N@@H+](C)CCOCCO)C1CC1 ZINC000336668464 386792146 /nfs/dbraw/zinc/79/21/46/386792146.db2.gz AIUWASGGOOIJAF-LBPRGKRZSA-N 2 1 246.351 -0.618 20 0 BBADMP CN(C[C@@H](O)C[N@H+](C)CCOCCO)C1CC1 ZINC000336668464 386792142 /nfs/dbraw/zinc/79/21/42/386792142.db2.gz AIUWASGGOOIJAF-LBPRGKRZSA-N 2 1 246.351 -0.618 20 0 BBADMP CN(CCOCCO)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336668464 386792137 /nfs/dbraw/zinc/79/21/37/386792137.db2.gz AIUWASGGOOIJAF-LBPRGKRZSA-N 2 1 246.351 -0.618 20 0 BBADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCNS(C)(=O)=O ZINC000336680245 384976297 /nfs/dbraw/zinc/97/62/97/384976297.db2.gz RFAPFEQBBGPGIB-SECBINFHSA-N 2 1 237.369 -0.501 20 0 BBADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCNS(C)(=O)=O ZINC000336680247 385629805 /nfs/dbraw/zinc/62/98/05/385629805.db2.gz RFAPFEQBBGPGIB-VIFPVBQESA-N 2 1 237.369 -0.501 20 0 BBADMP OCCC[N@@H+](CCO)C[C@@H]1CCC[NH2+]C1 ZINC000336703201 388465130 /nfs/dbraw/zinc/46/51/30/388465130.db2.gz OPXPUNLKGROJRY-LLVKDONJSA-N 2 1 216.325 -0.337 20 0 BBADMP OCCC[N@@H+](CCO)C[C@H]1CCC[NH2+]C1 ZINC000336703892 385781555 /nfs/dbraw/zinc/78/15/55/385781555.db2.gz OPXPUNLKGROJRY-NSHDSACASA-N 2 1 216.325 -0.337 20 0 BBADMP OCCC[N@@H+](CCO)CC1CC[NH2+]CC1 ZINC000336709503 388466415 /nfs/dbraw/zinc/46/64/15/388466415.db2.gz RGSIXHGPPXNEQD-UHFFFAOYSA-N 2 1 216.325 -0.337 20 0 BBADMP Cc1[nH+]ccn1CC[NH2+]C1(C(N)=O)CC1 ZINC000336722494 180260706 /nfs/dbraw/zinc/26/07/06/180260706.db2.gz FDTQLMZTIVOIET-UHFFFAOYSA-N 2 1 208.265 -0.201 20 0 BBADMP C[N@@H+](C[C@@H](O)C[NH2+]C(C)(C)CC(N)=O)C1CC1 ZINC000336726259 385890541 /nfs/dbraw/zinc/89/05/41/385890541.db2.gz VJKWTOOQGISBQO-JTQLQIEISA-N 2 1 243.351 -0.315 20 0 BBADMP C[N@H+](C[C@@H](O)C[NH2+]C(C)(C)CC(N)=O)C1CC1 ZINC000336726259 385890539 /nfs/dbraw/zinc/89/05/39/385890539.db2.gz VJKWTOOQGISBQO-JTQLQIEISA-N 2 1 243.351 -0.315 20 0 BBADMP C[N@@H+](C[C@H](O)C[NH2+]C(C)(C)CC(N)=O)C1CC1 ZINC000336726262 385890060 /nfs/dbraw/zinc/89/00/60/385890060.db2.gz VJKWTOOQGISBQO-SNVBAGLBSA-N 2 1 243.351 -0.315 20 0 BBADMP C[N@H+](C[C@H](O)C[NH2+]C(C)(C)CC(N)=O)C1CC1 ZINC000336726262 385890055 /nfs/dbraw/zinc/89/00/55/385890055.db2.gz VJKWTOOQGISBQO-SNVBAGLBSA-N 2 1 243.351 -0.315 20 0 BBADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@]1(O)CC[N@@H+](C)C1 ZINC000336727635 176275104 /nfs/dbraw/zinc/27/51/04/176275104.db2.gz CCJIAYZIBIIGQH-GRYCIOLGSA-N 2 1 227.352 -0.407 20 0 BBADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@]1(O)CC[N@H+](C)C1 ZINC000336727635 176275103 /nfs/dbraw/zinc/27/51/03/176275103.db2.gz CCJIAYZIBIIGQH-GRYCIOLGSA-N 2 1 227.352 -0.407 20 0 BBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@]1(O)CC[NH+](C)C1 ZINC000336727635 176275101 /nfs/dbraw/zinc/27/51/01/176275101.db2.gz CCJIAYZIBIIGQH-GRYCIOLGSA-N 2 1 227.352 -0.407 20 0 BBADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@]1(O)CC[N@@H+](C)C1 ZINC000336727642 176277761 /nfs/dbraw/zinc/27/77/61/176277761.db2.gz CCJIAYZIBIIGQH-IJLUTSLNSA-N 2 1 227.352 -0.407 20 0 BBADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@]1(O)CC[N@H+](C)C1 ZINC000336727642 176277760 /nfs/dbraw/zinc/27/77/60/176277760.db2.gz CCJIAYZIBIIGQH-IJLUTSLNSA-N 2 1 227.352 -0.407 20 0 BBADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@]1(O)CC[NH+](C)C1 ZINC000336727642 176277759 /nfs/dbraw/zinc/27/77/59/176277759.db2.gz CCJIAYZIBIIGQH-IJLUTSLNSA-N 2 1 227.352 -0.407 20 0 BBADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000336727643 176276827 /nfs/dbraw/zinc/27/68/27/176276827.db2.gz CCJIAYZIBIIGQH-UTUOFQBUSA-N 2 1 227.352 -0.407 20 0 BBADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@@]1(O)CC[N@H+](C)C1 ZINC000336727643 176276825 /nfs/dbraw/zinc/27/68/25/176276825.db2.gz CCJIAYZIBIIGQH-UTUOFQBUSA-N 2 1 227.352 -0.407 20 0 BBADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@@]1(O)CC[NH+](C)C1 ZINC000336727643 176276823 /nfs/dbraw/zinc/27/68/23/176276823.db2.gz CCJIAYZIBIIGQH-UTUOFQBUSA-N 2 1 227.352 -0.407 20 0 BBADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000336727645 176273260 /nfs/dbraw/zinc/27/32/60/176273260.db2.gz CCJIAYZIBIIGQH-WOPDTQHZSA-N 2 1 227.352 -0.407 20 0 BBADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@@]1(O)CC[N@H+](C)C1 ZINC000336727645 176273258 /nfs/dbraw/zinc/27/32/58/176273258.db2.gz CCJIAYZIBIIGQH-WOPDTQHZSA-N 2 1 227.352 -0.407 20 0 BBADMP CC[C@@](C)([NH2+]C[C@H](O)CN(C)C1CC1)C(N)=O ZINC000336729415 171175309 /nfs/dbraw/zinc/17/53/09/171175309.db2.gz XJXZOJMWBCTZPE-CMPLNLGQSA-N 2 1 243.351 -0.315 20 0 BBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000336729894 386154182 /nfs/dbraw/zinc/15/41/82/386154182.db2.gz DKJOXFCRYDXTED-SECBINFHSA-N 2 1 235.353 -0.794 20 0 BBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000336729895 386153604 /nfs/dbraw/zinc/15/36/04/386153604.db2.gz DKJOXFCRYDXTED-VIFPVBQESA-N 2 1 235.353 -0.794 20 0 BBADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000336730408 173054794 /nfs/dbraw/zinc/05/47/94/173054794.db2.gz XZDBJDOCBRPUKV-CMPLNLGQSA-N 2 1 241.335 -0.607 20 0 BBADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000336730408 173054793 /nfs/dbraw/zinc/05/47/93/173054793.db2.gz XZDBJDOCBRPUKV-CMPLNLGQSA-N 2 1 241.335 -0.607 20 0 BBADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@](O)(C(N)=O)C1 ZINC000336730408 173054792 /nfs/dbraw/zinc/05/47/92/173054792.db2.gz XZDBJDOCBRPUKV-CMPLNLGQSA-N 2 1 241.335 -0.607 20 0 BBADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000336730411 173053598 /nfs/dbraw/zinc/05/35/98/173053598.db2.gz XZDBJDOCBRPUKV-JQWIXIFHSA-N 2 1 241.335 -0.607 20 0 BBADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000336730411 173053597 /nfs/dbraw/zinc/05/35/97/173053597.db2.gz XZDBJDOCBRPUKV-JQWIXIFHSA-N 2 1 241.335 -0.607 20 0 BBADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@](O)(C(N)=O)C1 ZINC000336730411 173053596 /nfs/dbraw/zinc/05/35/96/173053596.db2.gz XZDBJDOCBRPUKV-JQWIXIFHSA-N 2 1 241.335 -0.607 20 0 BBADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CCC(O)CC2)C1 ZINC000336760949 173137625 /nfs/dbraw/zinc/13/76/25/173137625.db2.gz KCHDHJCEOREZRV-HTAVTVPLSA-N 2 1 228.336 -0.054 20 0 BBADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CCC(O)CC2)C1 ZINC000336760949 173137624 /nfs/dbraw/zinc/13/76/24/173137624.db2.gz KCHDHJCEOREZRV-HTAVTVPLSA-N 2 1 228.336 -0.054 20 0 BBADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CCC(O)CC2)C1 ZINC000336760951 173165784 /nfs/dbraw/zinc/16/57/84/173165784.db2.gz KCHDHJCEOREZRV-MCIGGMRASA-N 2 1 228.336 -0.054 20 0 BBADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CCC(O)CC2)C1 ZINC000336760951 173165782 /nfs/dbraw/zinc/16/57/82/173165782.db2.gz KCHDHJCEOREZRV-MCIGGMRASA-N 2 1 228.336 -0.054 20 0 BBADMP C[N@H+]1CC[C@@](O)(C[NH2+]CC2(C)COC2)C1 ZINC000336762616 173139376 /nfs/dbraw/zinc/13/93/76/173139376.db2.gz NZYWPPSKXKVFEH-LLVKDONJSA-N 2 1 214.309 -0.321 20 0 BBADMP C[N@@H+]1CC[C@@](O)(C[NH2+]CC2(C)COC2)C1 ZINC000336762616 173139374 /nfs/dbraw/zinc/13/93/74/173139374.db2.gz NZYWPPSKXKVFEH-LLVKDONJSA-N 2 1 214.309 -0.321 20 0 BBADMP C[N@H+]1CC[C@](O)(C[NH2+]CC2(C)COC2)C1 ZINC000336762617 173165809 /nfs/dbraw/zinc/16/58/09/173165809.db2.gz NZYWPPSKXKVFEH-NSHDSACASA-N 2 1 214.309 -0.321 20 0 BBADMP C[N@@H+]1CC[C@](O)(C[NH2+]CC2(C)COC2)C1 ZINC000336762617 173165808 /nfs/dbraw/zinc/16/58/08/173165808.db2.gz NZYWPPSKXKVFEH-NSHDSACASA-N 2 1 214.309 -0.321 20 0 BBADMP CNC(=O)C[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336764492 173280632 /nfs/dbraw/zinc/28/06/32/173280632.db2.gz NGHKLAXJNYRRPD-KOLCDFICSA-N 2 1 229.324 -0.833 20 0 BBADMP CNC(=O)C[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336764493 173280821 /nfs/dbraw/zinc/28/08/21/173280821.db2.gz NGHKLAXJNYRRPD-MWLCHTKSSA-N 2 1 229.324 -0.833 20 0 BBADMP CNC(=O)C[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336764493 173280820 /nfs/dbraw/zinc/28/08/20/173280820.db2.gz NGHKLAXJNYRRPD-MWLCHTKSSA-N 2 1 229.324 -0.833 20 0 BBADMP CNC(=O)C[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336764494 173282241 /nfs/dbraw/zinc/28/22/41/173282241.db2.gz NGHKLAXJNYRRPD-ONGXEEELSA-N 2 1 229.324 -0.833 20 0 BBADMP C[NH+](C)C[C@@H](O)C[NH2+]C1CCC(O)CC1 ZINC000336765094 387062932 /nfs/dbraw/zinc/06/29/32/387062932.db2.gz QMZZTLKEDQRPFU-ILDUYXDCSA-N 2 1 216.325 -0.198 20 0 BBADMP C[NH+](C)C[C@H](O)C[NH2+]C1CCC(O)CC1 ZINC000336765096 172494293 /nfs/dbraw/zinc/49/42/93/172494293.db2.gz QMZZTLKEDQRPFU-VQXHTEKXSA-N 2 1 216.325 -0.198 20 0 BBADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCOC2)C1 ZINC000336766163 537839896 /nfs/dbraw/zinc/83/98/96/537839896.db2.gz RILNJYYUOXKABX-GHMZBOCLSA-N 2 1 214.309 -0.178 20 0 BBADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCOC2)C1 ZINC000336766163 537839883 /nfs/dbraw/zinc/83/98/83/537839883.db2.gz RILNJYYUOXKABX-GHMZBOCLSA-N 2 1 214.309 -0.178 20 0 BBADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCOC2)C1 ZINC000336766164 537842001 /nfs/dbraw/zinc/84/20/01/537842001.db2.gz RILNJYYUOXKABX-MNOVXSKESA-N 2 1 214.309 -0.178 20 0 BBADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCOC2)C1 ZINC000336766164 537841994 /nfs/dbraw/zinc/84/19/94/537841994.db2.gz RILNJYYUOXKABX-MNOVXSKESA-N 2 1 214.309 -0.178 20 0 BBADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCOC2)C1 ZINC000336766165 537842329 /nfs/dbraw/zinc/84/23/29/537842329.db2.gz RILNJYYUOXKABX-QWRGUYRKSA-N 2 1 214.309 -0.178 20 0 BBADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCOC2)C1 ZINC000336766165 537842319 /nfs/dbraw/zinc/84/23/19/537842319.db2.gz RILNJYYUOXKABX-QWRGUYRKSA-N 2 1 214.309 -0.178 20 0 BBADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCOC2)C1 ZINC000336766166 538049887 /nfs/dbraw/zinc/04/98/87/538049887.db2.gz RILNJYYUOXKABX-WDEREUQCSA-N 2 1 214.309 -0.178 20 0 BBADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCOC2)C1 ZINC000336766166 538049883 /nfs/dbraw/zinc/04/98/83/538049883.db2.gz RILNJYYUOXKABX-WDEREUQCSA-N 2 1 214.309 -0.178 20 0 BBADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@@H](O)C[NH+](C)C ZINC000336768640 176276578 /nfs/dbraw/zinc/27/65/78/176276578.db2.gz UUFJPZYEKWKOCI-GMTAPVOTSA-N 2 1 215.341 -0.551 20 0 BBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@@H](O)C[NH+](C)C ZINC000336768641 176273697 /nfs/dbraw/zinc/27/36/97/176273697.db2.gz UUFJPZYEKWKOCI-MXWKQRLJSA-N 2 1 215.341 -0.551 20 0 BBADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@H](O)C[NH+](C)C ZINC000336768642 176277226 /nfs/dbraw/zinc/27/72/26/176277226.db2.gz UUFJPZYEKWKOCI-OUAUKWLOSA-N 2 1 215.341 -0.551 20 0 BBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@H](O)C[NH+](C)C ZINC000336768643 176273520 /nfs/dbraw/zinc/27/35/20/176273520.db2.gz UUFJPZYEKWKOCI-VWYCJHECSA-N 2 1 215.341 -0.551 20 0 BBADMP Cc1n[nH]cc1C[NH2+]C[C@]1(O)CCN(C)C1 ZINC000336771245 386034062 /nfs/dbraw/zinc/03/40/62/386034062.db2.gz UHNMKBNAOKWCIZ-LLVKDONJSA-N 2 1 224.308 -0.126 20 0 BBADMP Cc1n[nH]cc1CNC[C@]1(O)CC[N@H+](C)C1 ZINC000336771245 386034057 /nfs/dbraw/zinc/03/40/57/386034057.db2.gz UHNMKBNAOKWCIZ-LLVKDONJSA-N 2 1 224.308 -0.126 20 0 BBADMP Cc1n[nH]cc1C[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000336771247 386034313 /nfs/dbraw/zinc/03/43/13/386034313.db2.gz UHNMKBNAOKWCIZ-NSHDSACASA-N 2 1 224.308 -0.126 20 0 BBADMP Cc1n[nH]cc1CNC[C@@]1(O)CC[N@H+](C)C1 ZINC000336771247 386034305 /nfs/dbraw/zinc/03/43/05/386034305.db2.gz UHNMKBNAOKWCIZ-NSHDSACASA-N 2 1 224.308 -0.126 20 0 BBADMP CNS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000336774631 386356595 /nfs/dbraw/zinc/35/65/95/386356595.db2.gz XBQDPRINFZDFEP-NXEZZACHSA-N 2 1 249.380 -0.535 20 0 BBADMP CNS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000336774631 386356590 /nfs/dbraw/zinc/35/65/90/386356590.db2.gz XBQDPRINFZDFEP-NXEZZACHSA-N 2 1 249.380 -0.535 20 0 BBADMP CNS(=O)(=O)CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000336774632 386356747 /nfs/dbraw/zinc/35/67/47/386356747.db2.gz XBQDPRINFZDFEP-UWVGGRQHSA-N 2 1 249.380 -0.535 20 0 BBADMP CNS(=O)(=O)CC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000336774632 386356745 /nfs/dbraw/zinc/35/67/45/386356745.db2.gz XBQDPRINFZDFEP-UWVGGRQHSA-N 2 1 249.380 -0.535 20 0 BBADMP CNS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000336774633 386356468 /nfs/dbraw/zinc/35/64/68/386356468.db2.gz XBQDPRINFZDFEP-VHSXEESVSA-N 2 1 249.380 -0.535 20 0 BBADMP CNS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000336774633 386356463 /nfs/dbraw/zinc/35/64/63/386356463.db2.gz XBQDPRINFZDFEP-VHSXEESVSA-N 2 1 249.380 -0.535 20 0 BBADMP CNS(=O)(=O)CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000336774634 386355544 /nfs/dbraw/zinc/35/55/44/386355544.db2.gz XBQDPRINFZDFEP-ZJUUUORDSA-N 2 1 249.380 -0.535 20 0 BBADMP CNS(=O)(=O)CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000336774634 386355539 /nfs/dbraw/zinc/35/55/39/386355539.db2.gz XBQDPRINFZDFEP-ZJUUUORDSA-N 2 1 249.380 -0.535 20 0 BBADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)CC(N)=O ZINC000336777565 174276370 /nfs/dbraw/zinc/27/63/70/174276370.db2.gz IVMOLWICRAFFLX-JTQLQIEISA-N 2 1 231.340 -0.192 20 0 BBADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)CC(N)=O ZINC000336777566 174275783 /nfs/dbraw/zinc/27/57/83/174275783.db2.gz IVMOLWICRAFFLX-SNVBAGLBSA-N 2 1 231.340 -0.192 20 0 BBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC1 ZINC000337328968 173051706 /nfs/dbraw/zinc/05/17/06/173051706.db2.gz ZGAPXECVOXYADU-JTQLQIEISA-N 2 1 211.309 -0.098 20 0 BBADMP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC1 ZINC000337328968 173051703 /nfs/dbraw/zinc/05/17/03/173051703.db2.gz ZGAPXECVOXYADU-JTQLQIEISA-N 2 1 211.309 -0.098 20 0 BBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCC1 ZINC000337328979 173024574 /nfs/dbraw/zinc/02/45/74/173024574.db2.gz ZGAPXECVOXYADU-SNVBAGLBSA-N 2 1 211.309 -0.098 20 0 BBADMP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCC1 ZINC000337328979 173024572 /nfs/dbraw/zinc/02/45/72/173024572.db2.gz ZGAPXECVOXYADU-SNVBAGLBSA-N 2 1 211.309 -0.098 20 0 BBADMP CNC(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000337344112 173268036 /nfs/dbraw/zinc/26/80/36/173268036.db2.gz YMSHOPTZPHXTJH-UHFFFAOYSA-N 2 1 242.367 -0.698 20 0 BBADMP CNC(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000337344112 173268034 /nfs/dbraw/zinc/26/80/34/173268034.db2.gz YMSHOPTZPHXTJH-UHFFFAOYSA-N 2 1 242.367 -0.698 20 0 BBADMP CC[NH+](CC)CC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000337381667 385623086 /nfs/dbraw/zinc/62/30/86/385623086.db2.gz CLIPGNSVISRJDS-GFCCVEGCSA-N 2 1 243.351 -0.489 20 0 BBADMP CC[NH+](CC)CC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000337381669 385622717 /nfs/dbraw/zinc/62/27/17/385622717.db2.gz CLIPGNSVISRJDS-LBPRGKRZSA-N 2 1 243.351 -0.489 20 0 BBADMP CCC[N@@H+](C)CC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000337444685 169071588 /nfs/dbraw/zinc/07/15/88/169071588.db2.gz HUGLOGXTSONJNC-GFCCVEGCSA-N 2 1 245.367 -0.243 20 0 BBADMP CCC[N@@H+](C)CC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000337444686 169072610 /nfs/dbraw/zinc/07/26/10/169072610.db2.gz HUGLOGXTSONJNC-LBPRGKRZSA-N 2 1 245.367 -0.243 20 0 BBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000337749754 385775141 /nfs/dbraw/zinc/77/51/41/385775141.db2.gz IMIXFMBGZDFOSW-JTQLQIEISA-N 2 1 249.380 -0.404 20 0 BBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000337749755 385775416 /nfs/dbraw/zinc/77/54/16/385775416.db2.gz IMIXFMBGZDFOSW-SNVBAGLBSA-N 2 1 249.380 -0.404 20 0 BBADMP C[N@@H+](CCO)CCC(=O)N1CC[NH+](C)CC1 ZINC000338253191 385928269 /nfs/dbraw/zinc/92/82/69/385928269.db2.gz RJWWQSVMCSNGSF-UHFFFAOYSA-N 2 1 229.324 -0.925 20 0 BBADMP CN1CCN(C(=O)CC[N@@H+](C)CCO)CC1 ZINC000338253191 385928255 /nfs/dbraw/zinc/92/82/55/385928255.db2.gz RJWWQSVMCSNGSF-UHFFFAOYSA-N 2 1 229.324 -0.925 20 0 BBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000338273563 173066207 /nfs/dbraw/zinc/06/62/07/173066207.db2.gz ZBAYGCXZXGFJOU-LLVKDONJSA-N 2 1 241.335 -0.783 20 0 BBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000338273563 173066205 /nfs/dbraw/zinc/06/62/05/173066205.db2.gz ZBAYGCXZXGFJOU-LLVKDONJSA-N 2 1 241.335 -0.783 20 0 BBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](O)C2)CC1 ZINC000338273565 173067838 /nfs/dbraw/zinc/06/78/38/173067838.db2.gz ZBAYGCXZXGFJOU-NSHDSACASA-N 2 1 241.335 -0.783 20 0 BBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000338273565 173067836 /nfs/dbraw/zinc/06/78/36/173067836.db2.gz ZBAYGCXZXGFJOU-NSHDSACASA-N 2 1 241.335 -0.783 20 0 BBADMP C[C@H](CO)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338275852 385938234 /nfs/dbraw/zinc/93/82/34/385938234.db2.gz AKNZCWPQSCDSKC-LLVKDONJSA-N 2 1 243.351 -0.537 20 0 BBADMP C[C@H](CO)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338275852 385938226 /nfs/dbraw/zinc/93/82/26/385938226.db2.gz AKNZCWPQSCDSKC-LLVKDONJSA-N 2 1 243.351 -0.537 20 0 BBADMP C[C@@H](CO)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338275893 385940120 /nfs/dbraw/zinc/94/01/20/385940120.db2.gz AKNZCWPQSCDSKC-NSHDSACASA-N 2 1 243.351 -0.537 20 0 BBADMP C[C@@H](CO)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338275893 385940114 /nfs/dbraw/zinc/94/01/14/385940114.db2.gz AKNZCWPQSCDSKC-NSHDSACASA-N 2 1 243.351 -0.537 20 0 BBADMP CC[N@@H+](CCO)CCC(=O)N1CC[NH+](C)CC1 ZINC000338301334 385949207 /nfs/dbraw/zinc/94/92/07/385949207.db2.gz AHXIHSQHQIAILO-UHFFFAOYSA-N 2 1 243.351 -0.535 20 0 BBADMP CC[N@H+](CCO)CCC(=O)N1CC[NH+](C)CC1 ZINC000338301334 385949202 /nfs/dbraw/zinc/94/92/02/385949202.db2.gz AHXIHSQHQIAILO-UHFFFAOYSA-N 2 1 243.351 -0.535 20 0 BBADMP C[N@@H+](CCCO)CCC(=O)N1CC[NH+](C)CC1 ZINC000338361135 385969760 /nfs/dbraw/zinc/96/97/60/385969760.db2.gz PEZIWDDGYPVELH-UHFFFAOYSA-N 2 1 243.351 -0.535 20 0 BBADMP C[N@H+](CCCO)CCC(=O)N1CC[NH+](C)CC1 ZINC000338361135 385969752 /nfs/dbraw/zinc/96/97/52/385969752.db2.gz PEZIWDDGYPVELH-UHFFFAOYSA-N 2 1 243.351 -0.535 20 0 BBADMP CN1CCN(C(=O)CC[N@@H+](C)CCCO)CC1 ZINC000338361135 385969745 /nfs/dbraw/zinc/96/97/45/385969745.db2.gz PEZIWDDGYPVELH-UHFFFAOYSA-N 2 1 243.351 -0.535 20 0 BBADMP COCC[NH+]1CCC([NH2+]C[C@@H](O)COC)CC1 ZINC000338787639 174305266 /nfs/dbraw/zinc/30/52/66/174305266.db2.gz FTFKBRUZLADEIA-GFCCVEGCSA-N 2 1 246.351 -0.306 20 0 BBADMP COCC[NH+]1CCC([NH2+]C[C@H](O)COC)CC1 ZINC000338787640 174304832 /nfs/dbraw/zinc/30/48/32/174304832.db2.gz FTFKBRUZLADEIA-LBPRGKRZSA-N 2 1 246.351 -0.306 20 0 BBADMP COCC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC000339244794 174277228 /nfs/dbraw/zinc/27/72/28/174277228.db2.gz DQTXIQKIYMDSDG-LLVKDONJSA-N 2 1 243.351 -0.225 20 0 BBADMP COCC[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC000339244794 174277227 /nfs/dbraw/zinc/27/72/27/174277227.db2.gz DQTXIQKIYMDSDG-LLVKDONJSA-N 2 1 243.351 -0.225 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC000339244794 174277226 /nfs/dbraw/zinc/27/72/26/174277226.db2.gz DQTXIQKIYMDSDG-LLVKDONJSA-N 2 1 243.351 -0.225 20 0 BBADMP COCC[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000339244795 174277153 /nfs/dbraw/zinc/27/71/53/174277153.db2.gz DQTXIQKIYMDSDG-NSHDSACASA-N 2 1 243.351 -0.225 20 0 BBADMP COCC[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000339244795 174277151 /nfs/dbraw/zinc/27/71/51/174277151.db2.gz DQTXIQKIYMDSDG-NSHDSACASA-N 2 1 243.351 -0.225 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC000339244795 174277149 /nfs/dbraw/zinc/27/71/49/174277149.db2.gz DQTXIQKIYMDSDG-NSHDSACASA-N 2 1 243.351 -0.225 20 0 BBADMP CC[NH+]1CCN(C[C@@H](C)CNC(N)=[NH2+])CC1 ZINC000340032489 350935290 /nfs/dbraw/zinc/93/52/90/350935290.db2.gz FHGAVAVVCYQFTC-JTQLQIEISA-N 2 1 227.356 -0.257 20 0 BBADMP CC[NH+]1CCN(C[C@H](C)CNC(N)=[NH2+])CC1 ZINC000340032492 350935348 /nfs/dbraw/zinc/93/53/48/350935348.db2.gz FHGAVAVVCYQFTC-SNVBAGLBSA-N 2 1 227.356 -0.257 20 0 BBADMP C(CNC1=[NH+]CCCN1)C[NH+]1CCOCC1 ZINC000340033011 388487533 /nfs/dbraw/zinc/48/75/33/388487533.db2.gz IYZFSPAQECEDRS-UHFFFAOYSA-N 2 1 226.324 -0.352 20 0 BBADMP COCC[N@@H+](C)CCCNC1=[NH+]CCCN1 ZINC000340036728 174275420 /nfs/dbraw/zinc/27/54/20/174275420.db2.gz AUMVAOGNNAAIKB-UHFFFAOYSA-N 2 1 228.340 -0.106 20 0 BBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(N)=[NH2+] ZINC000340037937 172386739 /nfs/dbraw/zinc/38/67/39/172386739.db2.gz SNFMABSRAUTEBF-SECBINFHSA-N 2 1 241.339 -0.588 20 0 BBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(N)=[NH2+] ZINC000340037939 172384172 /nfs/dbraw/zinc/38/41/72/172384172.db2.gz SNFMABSRAUTEBF-VIFPVBQESA-N 2 1 241.339 -0.588 20 0 BBADMP COCC[N@@H+](C)CCCNC(=O)C[C@H](C)[NH3+] ZINC000340181537 174275828 /nfs/dbraw/zinc/27/58/28/174275828.db2.gz ULZCWHFZZPUZGZ-JTQLQIEISA-N 2 1 231.340 -0.192 20 0 BBADMP COCC[N@@H+](C)CCCNC(=O)C[C@@H](C)[NH3+] ZINC000340181538 174275054 /nfs/dbraw/zinc/27/50/54/174275054.db2.gz ULZCWHFZZPUZGZ-SNVBAGLBSA-N 2 1 231.340 -0.192 20 0 BBADMP COCCC[N@@H+](C)CCNC(=O)C[C@H](C)[NH3+] ZINC000340183783 174216534 /nfs/dbraw/zinc/21/65/34/174216534.db2.gz DMARMQJOOJZYMW-JTQLQIEISA-N 2 1 231.340 -0.192 20 0 BBADMP COCCC[N@@H+](C)CCNC(=O)C[C@@H](C)[NH3+] ZINC000340183784 174216423 /nfs/dbraw/zinc/21/64/23/174216423.db2.gz DMARMQJOOJZYMW-SNVBAGLBSA-N 2 1 231.340 -0.192 20 0 BBADMP C[C@@H]([NH3+])CC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000340184900 385830647 /nfs/dbraw/zinc/83/06/47/385830647.db2.gz KOEDWZRCZBHXDL-GHMZBOCLSA-N 2 1 243.351 -0.192 20 0 BBADMP C[C@H](CNC(=O)C[C@H](C)[NH3+])C[NH+]1CCOCC1 ZINC000340184901 385831075 /nfs/dbraw/zinc/83/10/75/385831075.db2.gz KOEDWZRCZBHXDL-MNOVXSKESA-N 2 1 243.351 -0.192 20 0 BBADMP C[C@H]([NH3+])CC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000340184903 385830064 /nfs/dbraw/zinc/83/00/64/385830064.db2.gz KOEDWZRCZBHXDL-QWRGUYRKSA-N 2 1 243.351 -0.192 20 0 BBADMP C[C@@H]([NH3+])CC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000340184905 175723352 /nfs/dbraw/zinc/72/33/52/175723352.db2.gz KOEDWZRCZBHXDL-WDEREUQCSA-N 2 1 243.351 -0.192 20 0 BBADMP C[C@@H]([NH3+])CC(=O)N[C@H](C)CC[NH+]1CCOCC1 ZINC000340185527 385832559 /nfs/dbraw/zinc/83/25/59/385832559.db2.gz QOTMFIIAXWZYNS-GHMZBOCLSA-N 2 1 243.351 -0.049 20 0 BBADMP C[C@@H]([NH3+])CC(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000340185528 385832503 /nfs/dbraw/zinc/83/25/03/385832503.db2.gz QOTMFIIAXWZYNS-MNOVXSKESA-N 2 1 243.351 -0.049 20 0 BBADMP C[C@H]([NH3+])CC(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000340185529 385832001 /nfs/dbraw/zinc/83/20/01/385832001.db2.gz QOTMFIIAXWZYNS-QWRGUYRKSA-N 2 1 243.351 -0.049 20 0 BBADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)C[C@H](C)[NH3+] ZINC000340185530 385832824 /nfs/dbraw/zinc/83/28/24/385832824.db2.gz QOTMFIIAXWZYNS-WDEREUQCSA-N 2 1 243.351 -0.049 20 0 BBADMP C[C@@H]([NH3+])C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000340187662 385840477 /nfs/dbraw/zinc/84/04/77/385840477.db2.gz ZNUDJMQVXQPSBZ-LLVKDONJSA-N 2 1 242.367 -0.571 20 0 BBADMP C[C@H]([NH3+])C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000340187692 385841002 /nfs/dbraw/zinc/84/10/02/385841002.db2.gz ZNUDJMQVXQPSBZ-NSHDSACASA-N 2 1 242.367 -0.571 20 0 BBADMP C[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000340232939 386049308 /nfs/dbraw/zinc/04/93/08/386049308.db2.gz UZGABJMYIYIMDL-SECBINFHSA-N 2 1 211.309 -0.099 20 0 BBADMP C[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340232939 386049301 /nfs/dbraw/zinc/04/93/01/386049301.db2.gz UZGABJMYIYIMDL-SECBINFHSA-N 2 1 211.309 -0.099 20 0 BBADMP C[NH+](C)CC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000340232940 386049509 /nfs/dbraw/zinc/04/95/09/386049509.db2.gz UZGABJMYIYIMDL-VIFPVBQESA-N 2 1 211.309 -0.099 20 0 BBADMP C[NH+](C)CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000340232940 386049504 /nfs/dbraw/zinc/04/95/04/386049504.db2.gz UZGABJMYIYIMDL-VIFPVBQESA-N 2 1 211.309 -0.099 20 0 BBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH+](C)C ZINC000340954281 176275703 /nfs/dbraw/zinc/27/57/03/176275703.db2.gz RABOBBYNYXTQSY-NXEZZACHSA-N 2 1 213.325 -0.138 20 0 BBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH+](C)C ZINC000340954299 177234970 /nfs/dbraw/zinc/23/49/70/177234970.db2.gz RABOBBYNYXTQSY-UWVGGRQHSA-N 2 1 213.325 -0.138 20 0 BBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH+](C)C ZINC000340954301 177237849 /nfs/dbraw/zinc/23/78/49/177237849.db2.gz RABOBBYNYXTQSY-VHSXEESVSA-N 2 1 213.325 -0.138 20 0 BBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH+](C)C ZINC000340954303 176272640 /nfs/dbraw/zinc/27/26/40/176272640.db2.gz RABOBBYNYXTQSY-ZJUUUORDSA-N 2 1 213.325 -0.138 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C)C1 ZINC000341289980 174314397 /nfs/dbraw/zinc/31/43/97/174314397.db2.gz NFLBRPHMRDQWDL-JTQLQIEISA-N 2 1 229.324 -0.615 20 0 BBADMP COCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C)C1 ZINC000341289980 174314396 /nfs/dbraw/zinc/31/43/96/174314396.db2.gz NFLBRPHMRDQWDL-JTQLQIEISA-N 2 1 229.324 -0.615 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC000341289990 174312071 /nfs/dbraw/zinc/31/20/71/174312071.db2.gz NFLBRPHMRDQWDL-SNVBAGLBSA-N 2 1 229.324 -0.615 20 0 BBADMP COCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC000341289990 174312069 /nfs/dbraw/zinc/31/20/69/174312069.db2.gz NFLBRPHMRDQWDL-SNVBAGLBSA-N 2 1 229.324 -0.615 20 0 BBADMP C[C@@H](CO)[NH+](C)CCOCC[N@H+](C)[C@@H](C)CO ZINC000342076979 385921960 /nfs/dbraw/zinc/92/19/60/385921960.db2.gz DDXDLJGNZQVPGG-RYUDHWBXSA-N 2 1 248.367 -0.372 20 0 BBADMP C[C@H](CO)[N@H+](C)CCOCC[NH+](C)[C@@H](C)CO ZINC000342076983 385922449 /nfs/dbraw/zinc/92/24/49/385922449.db2.gz DDXDLJGNZQVPGG-TXEJJXNPSA-N 2 1 248.367 -0.372 20 0 BBADMP C[C@H](CO)[N@@H+](C)CCOCC[NH+](C)[C@@H](C)CO ZINC000342076983 385922443 /nfs/dbraw/zinc/92/24/43/385922443.db2.gz DDXDLJGNZQVPGG-TXEJJXNPSA-N 2 1 248.367 -0.372 20 0 BBADMP C[C@H](CO)[NH+](C)CCOCC[N@H+](C)[C@@H](C)CO ZINC000342076983 385922435 /nfs/dbraw/zinc/92/24/35/385922435.db2.gz DDXDLJGNZQVPGG-TXEJJXNPSA-N 2 1 248.367 -0.372 20 0 BBADMP C[C@H](CO)[NH+](C)CCOCC[N@H+](C)[C@H](C)CO ZINC000342076985 385921629 /nfs/dbraw/zinc/92/16/29/385921629.db2.gz DDXDLJGNZQVPGG-VXGBXAGGSA-N 2 1 248.367 -0.372 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH3+])CCC2)C1 ZINC000342582373 135292420 /nfs/dbraw/zinc/29/24/20/135292420.db2.gz HZTLCVXKJRUWHV-JTQLQIEISA-N 2 1 241.335 -0.295 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH3+])CCC2)C1 ZINC000342582373 135292418 /nfs/dbraw/zinc/29/24/18/135292418.db2.gz HZTLCVXKJRUWHV-JTQLQIEISA-N 2 1 241.335 -0.295 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH3+])CCC2)C1 ZINC000342582378 135292646 /nfs/dbraw/zinc/29/26/46/135292646.db2.gz HZTLCVXKJRUWHV-SNVBAGLBSA-N 2 1 241.335 -0.295 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH3+])CCC2)C1 ZINC000342582378 135292645 /nfs/dbraw/zinc/29/26/45/135292645.db2.gz HZTLCVXKJRUWHV-SNVBAGLBSA-N 2 1 241.335 -0.295 20 0 BBADMP C[NH+](C)CCNC(=O)NCC[N@@H+](C)C1CC1 ZINC000342662174 535882807 /nfs/dbraw/zinc/88/28/07/535882807.db2.gz IDLBEZQNYYQESI-UHFFFAOYSA-N 2 1 228.340 -0.059 20 0 BBADMP C[NH+](C)CCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000342665339 535884652 /nfs/dbraw/zinc/88/46/52/535884652.db2.gz MHAWQPINCCJSPV-JTQLQIEISA-N 2 1 228.340 -0.059 20 0 BBADMP C[NH+](C)CCNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000342665340 535884962 /nfs/dbraw/zinc/88/49/62/535884962.db2.gz MHAWQPINCCJSPV-SNVBAGLBSA-N 2 1 228.340 -0.059 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH2+]C2)C1 ZINC000342705842 135311950 /nfs/dbraw/zinc/31/19/50/135311950.db2.gz GPEOWTPLKGARAU-GHMZBOCLSA-N 2 1 241.335 -0.567 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH2+]C2)C1 ZINC000342705842 135311948 /nfs/dbraw/zinc/31/19/48/135311948.db2.gz GPEOWTPLKGARAU-GHMZBOCLSA-N 2 1 241.335 -0.567 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH2+]C2)C1 ZINC000342705843 135311964 /nfs/dbraw/zinc/31/19/64/135311964.db2.gz GPEOWTPLKGARAU-MNOVXSKESA-N 2 1 241.335 -0.567 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH2+]C2)C1 ZINC000342705843 135311962 /nfs/dbraw/zinc/31/19/62/135311962.db2.gz GPEOWTPLKGARAU-MNOVXSKESA-N 2 1 241.335 -0.567 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH2+]C2)C1 ZINC000342705844 135311839 /nfs/dbraw/zinc/31/18/39/135311839.db2.gz GPEOWTPLKGARAU-QWRGUYRKSA-N 2 1 241.335 -0.567 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH2+]C2)C1 ZINC000342705844 135311837 /nfs/dbraw/zinc/31/18/37/135311837.db2.gz GPEOWTPLKGARAU-QWRGUYRKSA-N 2 1 241.335 -0.567 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH2+]C2)C1 ZINC000342705845 135311721 /nfs/dbraw/zinc/31/17/21/135311721.db2.gz GPEOWTPLKGARAU-WDEREUQCSA-N 2 1 241.335 -0.567 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH2+]C2)C1 ZINC000342705845 135311720 /nfs/dbraw/zinc/31/17/20/135311720.db2.gz GPEOWTPLKGARAU-WDEREUQCSA-N 2 1 241.335 -0.567 20 0 BBADMP CC[N@@H+](C)CCNC(=O)[C@H]([NH3+])CCC(=O)OC ZINC000342712451 135313577 /nfs/dbraw/zinc/31/35/77/135313577.db2.gz SDHLVIQFHUYQJI-SECBINFHSA-N 2 1 245.323 -0.665 20 0 BBADMP CC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000342712452 135313545 /nfs/dbraw/zinc/31/35/45/135313545.db2.gz SDHLVIQFHUYQJI-VIFPVBQESA-N 2 1 245.323 -0.665 20 0 BBADMP C[C@@]1(CNC(=O)[C@@H]2COCC[NH2+]2)CCC[NH2+]C1 ZINC000342738842 135309336 /nfs/dbraw/zinc/30/93/36/135309336.db2.gz OFKUVHOKZCEJKP-CMPLNLGQSA-N 2 1 241.335 -0.519 20 0 BBADMP C[C@]1(CNC(=O)[C@@H]2COCC[NH2+]2)CCC[NH2+]C1 ZINC000342738844 135309132 /nfs/dbraw/zinc/30/91/32/135309132.db2.gz OFKUVHOKZCEJKP-JQWIXIFHSA-N 2 1 241.335 -0.519 20 0 BBADMP C[C@]1(CNC(=O)[C@H]2COCC[NH2+]2)CCC[NH2+]C1 ZINC000342738845 135309099 /nfs/dbraw/zinc/30/90/99/135309099.db2.gz OFKUVHOKZCEJKP-PWSUYJOCSA-N 2 1 241.335 -0.519 20 0 BBADMP C[C@@]1(CNC(=O)[C@H]2COCC[NH2+]2)CCC[NH2+]C1 ZINC000342738847 135309226 /nfs/dbraw/zinc/30/92/26/135309226.db2.gz OFKUVHOKZCEJKP-ZYHUDNBSSA-N 2 1 241.335 -0.519 20 0 BBADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH+](C)CC1 ZINC000343475837 133686669 /nfs/dbraw/zinc/68/66/69/133686669.db2.gz NCMABPDHMDPJFL-SECBINFHSA-N 2 1 243.307 -0.959 20 0 BBADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[NH+](C)CC1 ZINC000343475847 353902741 /nfs/dbraw/zinc/90/27/41/353902741.db2.gz NCMABPDHMDPJFL-VIFPVBQESA-N 2 1 243.307 -0.959 20 0 BBADMP C[NH+](C)CCNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000343482305 353904667 /nfs/dbraw/zinc/90/46/67/353904667.db2.gz UAVNNGRATXCNHG-MRVPVSSYSA-N 2 1 235.278 -0.091 20 0 BBADMP C[NH+](C)CCNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000343482324 353904890 /nfs/dbraw/zinc/90/48/90/353904890.db2.gz UAVNNGRATXCNHG-QMMMGPOBSA-N 2 1 235.278 -0.091 20 0 BBADMP C[C@H]([NH3+])CCNC(=O)[C@H]1[NH2+]CCO[C@H]1C ZINC000343584813 353939821 /nfs/dbraw/zinc/93/98/21/353939821.db2.gz CAOMEGOSOLIRFZ-CIUDSAMLSA-N 2 1 215.297 -0.783 20 0 BBADMP C[C@H]([NH3+])CCNC(=O)[C@@H]1[NH2+]CCO[C@@H]1C ZINC000343584815 353939872 /nfs/dbraw/zinc/93/98/72/353939872.db2.gz CAOMEGOSOLIRFZ-DJLDLDEBSA-N 2 1 215.297 -0.783 20 0 BBADMP C[C@H]([NH3+])CCNC(=O)[C@@H]1[NH2+]CCO[C@H]1C ZINC000343584816 353939556 /nfs/dbraw/zinc/93/95/56/353939556.db2.gz CAOMEGOSOLIRFZ-XHNCKOQMSA-N 2 1 215.297 -0.783 20 0 BBADMP C[C@H]([NH3+])CCNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000343584818 385224911 /nfs/dbraw/zinc/22/49/11/385224911.db2.gz CAOMEGOSOLIRFZ-YIZRAAEISA-N 2 1 215.297 -0.783 20 0 BBADMP C[NH2+]C[C@H](C)CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000343585854 353940422 /nfs/dbraw/zinc/94/04/22/353940422.db2.gz FFKAHARCXSFCAO-AEJSXWLSSA-N 2 1 229.324 -0.665 20 0 BBADMP C[NH2+]C[C@H](C)CNC(=O)[C@H]1[NH2+]CCO[C@H]1C ZINC000343585855 353940357 /nfs/dbraw/zinc/94/03/57/353940357.db2.gz FFKAHARCXSFCAO-GUBZILKMSA-N 2 1 229.324 -0.665 20 0 BBADMP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1[NH2+]CCO[C@@H]1C ZINC000343585857 353940263 /nfs/dbraw/zinc/94/02/63/353940263.db2.gz FFKAHARCXSFCAO-IVZWLZJFSA-N 2 1 229.324 -0.665 20 0 BBADMP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1[NH2+]CCO[C@H]1C ZINC000343585858 353940476 /nfs/dbraw/zinc/94/04/76/353940476.db2.gz FFKAHARCXSFCAO-LPEHRKFASA-N 2 1 229.324 -0.665 20 0 BBADMP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1[NH2+]CCO[C@H]1C ZINC000343588994 353940832 /nfs/dbraw/zinc/94/08/32/353940832.db2.gz KSKKAHINSMADOM-AEJSXWLSSA-N 2 1 229.324 -0.537 20 0 BBADMP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000343588998 353940948 /nfs/dbraw/zinc/94/09/48/353940948.db2.gz KSKKAHINSMADOM-BBBLOLIVSA-N 2 1 229.324 -0.537 20 0 BBADMP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1[NH2+]CCO[C@H]1C ZINC000343589002 353941110 /nfs/dbraw/zinc/94/11/10/353941110.db2.gz KSKKAHINSMADOM-IVZWLZJFSA-N 2 1 229.324 -0.537 20 0 BBADMP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1[NH2+]CCO[C@@H]1C ZINC000343589003 353941090 /nfs/dbraw/zinc/94/10/90/353941090.db2.gz KSKKAHINSMADOM-OPRDCNLKSA-N 2 1 229.324 -0.537 20 0 BBADMP CCCC[C@H](C[NH3+])NC(=O)[C@H]1[NH2+]CCO[C@H]1C ZINC000343589517 353940860 /nfs/dbraw/zinc/94/08/60/353940860.db2.gz MBFKXDRCWXRZBB-AXFHLTTASA-N 2 1 243.351 -0.003 20 0 BBADMP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1[NH2+]CCO[C@@H]1C ZINC000343589520 353941166 /nfs/dbraw/zinc/94/11/66/353941166.db2.gz MBFKXDRCWXRZBB-GMTAPVOTSA-N 2 1 243.351 -0.003 20 0 BBADMP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1[NH2+]CCO[C@H]1C ZINC000343589521 353941215 /nfs/dbraw/zinc/94/12/15/353941215.db2.gz MBFKXDRCWXRZBB-HBNTYKKESA-N 2 1 243.351 -0.003 20 0 BBADMP CCCC[C@H](C[NH3+])NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000343589523 353941084 /nfs/dbraw/zinc/94/10/84/353941084.db2.gz MBFKXDRCWXRZBB-MXWKQRLJSA-N 2 1 243.351 -0.003 20 0 BBADMP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1[NH2+]CCO[C@H]1C ZINC000343597523 353930267 /nfs/dbraw/zinc/93/02/67/353930267.db2.gz CESZTYUOEAHDIV-KATARQTJSA-N 2 1 227.308 -0.689 20 0 BBADMP C[C@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1[NH2+]CCO[C@H]1C ZINC000343597536 353930251 /nfs/dbraw/zinc/93/02/51/353930251.db2.gz CESZTYUOEAHDIV-QEYWKRMJSA-N 2 1 227.308 -0.689 20 0 BBADMP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1[NH2+]CCO[C@H]1C ZINC000343597539 353930544 /nfs/dbraw/zinc/93/05/44/353930544.db2.gz CESZTYUOEAHDIV-RGOKHQFPSA-N 2 1 227.308 -0.689 20 0 BBADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1[NH2+]CCO[C@H]1C ZINC000343597542 353930551 /nfs/dbraw/zinc/93/05/51/353930551.db2.gz CESZTYUOEAHDIV-XKNYDFJKSA-N 2 1 227.308 -0.689 20 0 BBADMP C[NH2+]CCCNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000343636048 173348601 /nfs/dbraw/zinc/34/86/01/173348601.db2.gz AIWRWPDYSSNIRO-BDAKNGLRSA-N 2 1 215.297 -0.911 20 0 BBADMP C[NH2+]CCCNC(=O)[C@@H]1[NH2+]CCO[C@H]1C ZINC000343636049 353949343 /nfs/dbraw/zinc/94/93/43/353949343.db2.gz AIWRWPDYSSNIRO-DTWKUNHWSA-N 2 1 215.297 -0.911 20 0 BBADMP C[NH2+]CCCNC(=O)[C@H]1[NH2+]CCO[C@H]1C ZINC000343636050 353949429 /nfs/dbraw/zinc/94/94/29/353949429.db2.gz AIWRWPDYSSNIRO-IUCAKERBSA-N 2 1 215.297 -0.911 20 0 BBADMP C[NH2+]CCCNC(=O)[C@@H]1[NH2+]CCO[C@@H]1C ZINC000343636051 353949731 /nfs/dbraw/zinc/94/97/31/353949731.db2.gz AIWRWPDYSSNIRO-RKDXNWHRSA-N 2 1 215.297 -0.911 20 0 BBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000343693733 353965940 /nfs/dbraw/zinc/96/59/40/353965940.db2.gz NEINOUJPXGHFRA-AGIUHOORSA-N 2 1 241.379 -0.017 20 0 BBADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000343693735 353965915 /nfs/dbraw/zinc/96/59/15/353965915.db2.gz NEINOUJPXGHFRA-FRRDWIJNSA-N 2 1 241.379 -0.017 20 0 BBADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000343693736 353965932 /nfs/dbraw/zinc/96/59/32/353965932.db2.gz NEINOUJPXGHFRA-JHJVBQTASA-N 2 1 241.379 -0.017 20 0 BBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000343693737 353965704 /nfs/dbraw/zinc/96/57/04/353965704.db2.gz NEINOUJPXGHFRA-UPJWGTAASA-N 2 1 241.379 -0.017 20 0 BBADMP C[C@@H]1C[N@@H+](CCO)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343930171 354044769 /nfs/dbraw/zinc/04/47/69/354044769.db2.gz YVSXGMHWGAVRDC-CHWSQXEVSA-N 2 1 241.379 -0.064 20 0 BBADMP C[C@@H]1C[N@@H+](CCO)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343930172 354045813 /nfs/dbraw/zinc/04/58/13/354045813.db2.gz YVSXGMHWGAVRDC-OLZOCXBDSA-N 2 1 241.379 -0.064 20 0 BBADMP C[C@H]1C[N@@H+](CCO)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343930173 354045917 /nfs/dbraw/zinc/04/59/17/354045917.db2.gz YVSXGMHWGAVRDC-QWHCGFSZSA-N 2 1 241.379 -0.064 20 0 BBADMP C[C@H]1C[N@@H+](CCO)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343930174 354046050 /nfs/dbraw/zinc/04/60/50/354046050.db2.gz YVSXGMHWGAVRDC-STQMWFEESA-N 2 1 241.379 -0.064 20 0 BBADMP CN(CCC[N@@H+](C)CC(N)=O)CC[NH+](C)C ZINC000344032450 354095680 /nfs/dbraw/zinc/09/56/80/354095680.db2.gz QAGAYMUUACBVFN-UHFFFAOYSA-N 2 1 230.356 -0.713 20 0 BBADMP CN(CCC[N@@H+](C)CCO)CC[NH+](C)C ZINC000344033876 354097330 /nfs/dbraw/zinc/09/73/30/354097330.db2.gz QYXYSFZYLQWLJZ-UHFFFAOYSA-N 2 1 217.357 -0.206 20 0 BBADMP C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000344044830 354110693 /nfs/dbraw/zinc/11/06/93/354110693.db2.gz STAGWLINBQWHQX-GHMZBOCLSA-N 2 1 241.335 -0.615 20 0 BBADMP C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000344044830 354110689 /nfs/dbraw/zinc/11/06/89/354110689.db2.gz STAGWLINBQWHQX-GHMZBOCLSA-N 2 1 241.335 -0.615 20 0 BBADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000344044830 354110688 /nfs/dbraw/zinc/11/06/88/354110688.db2.gz STAGWLINBQWHQX-GHMZBOCLSA-N 2 1 241.335 -0.615 20 0 BBADMP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000344044830 354110685 /nfs/dbraw/zinc/11/06/85/354110685.db2.gz STAGWLINBQWHQX-GHMZBOCLSA-N 2 1 241.335 -0.615 20 0 BBADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000344044841 354110844 /nfs/dbraw/zinc/11/08/44/354110844.db2.gz STAGWLINBQWHQX-MNOVXSKESA-N 2 1 241.335 -0.615 20 0 BBADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000344044841 354110839 /nfs/dbraw/zinc/11/08/39/354110839.db2.gz STAGWLINBQWHQX-MNOVXSKESA-N 2 1 241.335 -0.615 20 0 BBADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000344044841 354110837 /nfs/dbraw/zinc/11/08/37/354110837.db2.gz STAGWLINBQWHQX-MNOVXSKESA-N 2 1 241.335 -0.615 20 0 BBADMP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000344044841 354110834 /nfs/dbraw/zinc/11/08/34/354110834.db2.gz STAGWLINBQWHQX-MNOVXSKESA-N 2 1 241.335 -0.615 20 0 BBADMP C[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000344044843 354110475 /nfs/dbraw/zinc/11/04/75/354110475.db2.gz STAGWLINBQWHQX-QWRGUYRKSA-N 2 1 241.335 -0.615 20 0 BBADMP C[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000344044843 354110472 /nfs/dbraw/zinc/11/04/72/354110472.db2.gz STAGWLINBQWHQX-QWRGUYRKSA-N 2 1 241.335 -0.615 20 0 BBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000344044843 354110471 /nfs/dbraw/zinc/11/04/71/354110471.db2.gz STAGWLINBQWHQX-QWRGUYRKSA-N 2 1 241.335 -0.615 20 0 BBADMP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000344044843 354110469 /nfs/dbraw/zinc/11/04/69/354110469.db2.gz STAGWLINBQWHQX-QWRGUYRKSA-N 2 1 241.335 -0.615 20 0 BBADMP C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000344044846 354110727 /nfs/dbraw/zinc/11/07/27/354110727.db2.gz STAGWLINBQWHQX-WDEREUQCSA-N 2 1 241.335 -0.615 20 0 BBADMP C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000344044846 354110724 /nfs/dbraw/zinc/11/07/24/354110724.db2.gz STAGWLINBQWHQX-WDEREUQCSA-N 2 1 241.335 -0.615 20 0 BBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000344044846 354110721 /nfs/dbraw/zinc/11/07/21/354110721.db2.gz STAGWLINBQWHQX-WDEREUQCSA-N 2 1 241.335 -0.615 20 0 BBADMP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000344044846 354110719 /nfs/dbraw/zinc/11/07/19/354110719.db2.gz STAGWLINBQWHQX-WDEREUQCSA-N 2 1 241.335 -0.615 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC[C@H](O)C[NH+](C)C)C1 ZINC000344130913 354148965 /nfs/dbraw/zinc/14/89/65/354148965.db2.gz ILHXUGQDRHNWHU-NEPJUHHUSA-N 2 1 245.367 -0.781 20 0 BBADMP COCC[N@H+]1CC[C@H](NC[C@@H](O)C[NH+](C)C)C1 ZINC000344130915 354149030 /nfs/dbraw/zinc/14/90/30/354149030.db2.gz ILHXUGQDRHNWHU-NWDGAFQWSA-N 2 1 245.367 -0.781 20 0 BBADMP COCC[N@H+]1CC[C@H](NC[C@H](O)C[NH+](C)C)C1 ZINC000344130916 354148326 /nfs/dbraw/zinc/14/83/26/354148326.db2.gz ILHXUGQDRHNWHU-RYUDHWBXSA-N 2 1 245.367 -0.781 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC[C@@H](O)C[NH+](C)C)C1 ZINC000344130918 354148803 /nfs/dbraw/zinc/14/88/03/354148803.db2.gz ILHXUGQDRHNWHU-VXGBXAGGSA-N 2 1 245.367 -0.781 20 0 BBADMP C[C@H](CC[NH3+])NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000344342379 385276798 /nfs/dbraw/zinc/27/67/98/385276798.db2.gz CBFGHFYXQNJJDR-HLTSFMKQSA-N 2 1 215.297 -0.783 20 0 BBADMP C[C@H](CC[NH3+])NC(=O)[C@@H]1[NH2+]CCO[C@H]1C ZINC000344342381 354236914 /nfs/dbraw/zinc/23/69/14/354236914.db2.gz CBFGHFYXQNJJDR-HRDYMLBCSA-N 2 1 215.297 -0.783 20 0 BBADMP C[C@H](CC[NH3+])NC(=O)[C@@H]1[NH2+]CCO[C@@H]1C ZINC000344342382 354237115 /nfs/dbraw/zinc/23/71/15/354237115.db2.gz CBFGHFYXQNJJDR-IWSPIJDZSA-N 2 1 215.297 -0.783 20 0 BBADMP C[C@H](CC[NH3+])NC(=O)[C@H]1[NH2+]CCO[C@H]1C ZINC000344342384 354236807 /nfs/dbraw/zinc/23/68/07/354236807.db2.gz CBFGHFYXQNJJDR-VGMNWLOBSA-N 2 1 215.297 -0.783 20 0 BBADMP C[C@H](C[NH3+])CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000344344981 385278475 /nfs/dbraw/zinc/27/84/75/385278475.db2.gz HQRYDPNRQOKZNZ-HLTSFMKQSA-N 2 1 215.297 -0.926 20 0 BBADMP C[C@H](C[NH3+])CNC(=O)[C@@H]1[NH2+]CCO[C@H]1C ZINC000344344985 354237677 /nfs/dbraw/zinc/23/76/77/354237677.db2.gz HQRYDPNRQOKZNZ-HRDYMLBCSA-N 2 1 215.297 -0.926 20 0 BBADMP C[C@H](C[NH3+])CNC(=O)[C@@H]1[NH2+]CCO[C@@H]1C ZINC000344344986 354237497 /nfs/dbraw/zinc/23/74/97/354237497.db2.gz HQRYDPNRQOKZNZ-IWSPIJDZSA-N 2 1 215.297 -0.926 20 0 BBADMP C[C@H](C[NH3+])CNC(=O)[C@H]1[NH2+]CCO[C@H]1C ZINC000344344987 354237653 /nfs/dbraw/zinc/23/76/53/354237653.db2.gz HQRYDPNRQOKZNZ-VGMNWLOBSA-N 2 1 215.297 -0.926 20 0 BBADMP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1[NH2+]CCO[C@@H]1C ZINC000344475104 385280552 /nfs/dbraw/zinc/28/05/52/385280552.db2.gz PJPHRSNDKGMPRS-GMTAPVOTSA-N 2 1 243.351 -0.180 20 0 BBADMP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000344475105 385280123 /nfs/dbraw/zinc/28/01/23/385280123.db2.gz PJPHRSNDKGMPRS-MXWKQRLJSA-N 2 1 243.351 -0.180 20 0 BBADMP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1[NH2+]CCO[C@H]1C ZINC000344475106 385280962 /nfs/dbraw/zinc/28/09/62/385280962.db2.gz PJPHRSNDKGMPRS-OUAUKWLOSA-N 2 1 243.351 -0.180 20 0 BBADMP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1[NH2+]CCO[C@H]1C ZINC000344475107 176468061 /nfs/dbraw/zinc/46/80/61/176468061.db2.gz PJPHRSNDKGMPRS-VWYCJHECSA-N 2 1 243.351 -0.180 20 0 BBADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@H]1C[N@@H+](C)CCN1C ZINC000344478255 354268964 /nfs/dbraw/zinc/26/89/64/354268964.db2.gz ZFOWOEMCWBXSNV-AGIUHOORSA-N 2 1 240.395 -0.228 20 0 BBADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@H]1C[N@H+](C)CCN1C ZINC000344478255 354268961 /nfs/dbraw/zinc/26/89/61/354268961.db2.gz ZFOWOEMCWBXSNV-AGIUHOORSA-N 2 1 240.395 -0.228 20 0 BBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@H]1C[NH+](C)CCN1C ZINC000344478255 354268958 /nfs/dbraw/zinc/26/89/58/354268958.db2.gz ZFOWOEMCWBXSNV-AGIUHOORSA-N 2 1 240.395 -0.228 20 0 BBADMP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@H]1C[NH+](C)CCN1C ZINC000344478255 354268956 /nfs/dbraw/zinc/26/89/56/354268956.db2.gz ZFOWOEMCWBXSNV-AGIUHOORSA-N 2 1 240.395 -0.228 20 0 BBADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@H]1C[N@@H+](C)CCN1C ZINC000344478257 354268778 /nfs/dbraw/zinc/26/87/78/354268778.db2.gz ZFOWOEMCWBXSNV-FRRDWIJNSA-N 2 1 240.395 -0.228 20 0 BBADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@H]1C[N@H+](C)CCN1C ZINC000344478257 354268776 /nfs/dbraw/zinc/26/87/76/354268776.db2.gz ZFOWOEMCWBXSNV-FRRDWIJNSA-N 2 1 240.395 -0.228 20 0 BBADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@H]1C[NH+](C)CCN1C ZINC000344478257 354268775 /nfs/dbraw/zinc/26/87/75/354268775.db2.gz ZFOWOEMCWBXSNV-FRRDWIJNSA-N 2 1 240.395 -0.228 20 0 BBADMP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@H]1C[NH+](C)CCN1C ZINC000344478257 354268773 /nfs/dbraw/zinc/26/87/73/354268773.db2.gz ZFOWOEMCWBXSNV-FRRDWIJNSA-N 2 1 240.395 -0.228 20 0 BBADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@@H]1C[N@@H+](C)CCN1C ZINC000344478258 354268986 /nfs/dbraw/zinc/26/89/86/354268986.db2.gz ZFOWOEMCWBXSNV-JHJVBQTASA-N 2 1 240.395 -0.228 20 0 BBADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@@H]1C[N@H+](C)CCN1C ZINC000344478258 354268984 /nfs/dbraw/zinc/26/89/84/354268984.db2.gz ZFOWOEMCWBXSNV-JHJVBQTASA-N 2 1 240.395 -0.228 20 0 BBADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@@H]1C[NH+](C)CCN1C ZINC000344478258 354268981 /nfs/dbraw/zinc/26/89/81/354268981.db2.gz ZFOWOEMCWBXSNV-JHJVBQTASA-N 2 1 240.395 -0.228 20 0 BBADMP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@@H]1C[NH+](C)CCN1C ZINC000344478258 354268976 /nfs/dbraw/zinc/26/89/76/354268976.db2.gz ZFOWOEMCWBXSNV-JHJVBQTASA-N 2 1 240.395 -0.228 20 0 BBADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@@H]1C[N@@H+](C)CCN1C ZINC000344478261 354268745 /nfs/dbraw/zinc/26/87/45/354268745.db2.gz ZFOWOEMCWBXSNV-UPJWGTAASA-N 2 1 240.395 -0.228 20 0 BBADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@@H]1C[N@H+](C)CCN1C ZINC000344478261 354268744 /nfs/dbraw/zinc/26/87/44/354268744.db2.gz ZFOWOEMCWBXSNV-UPJWGTAASA-N 2 1 240.395 -0.228 20 0 BBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@@H]1C[NH+](C)CCN1C ZINC000344478261 354268742 /nfs/dbraw/zinc/26/87/42/354268742.db2.gz ZFOWOEMCWBXSNV-UPJWGTAASA-N 2 1 240.395 -0.228 20 0 BBADMP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@@H]1C[NH+](C)CCN1C ZINC000344478261 354268739 /nfs/dbraw/zinc/26/87/39/354268739.db2.gz ZFOWOEMCWBXSNV-UPJWGTAASA-N 2 1 240.395 -0.228 20 0 BBADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000344637000 354318619 /nfs/dbraw/zinc/31/86/19/354318619.db2.gz CWAHMTIYNGKANQ-NXEZZACHSA-N 2 1 229.324 -0.617 20 0 BBADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000344637000 354318616 /nfs/dbraw/zinc/31/86/16/354318616.db2.gz CWAHMTIYNGKANQ-NXEZZACHSA-N 2 1 229.324 -0.617 20 0 BBADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000344637722 354318419 /nfs/dbraw/zinc/31/84/19/354318419.db2.gz CWAHMTIYNGKANQ-UWVGGRQHSA-N 2 1 229.324 -0.617 20 0 BBADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000344637722 354318416 /nfs/dbraw/zinc/31/84/16/354318416.db2.gz CWAHMTIYNGKANQ-UWVGGRQHSA-N 2 1 229.324 -0.617 20 0 BBADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000344637723 354318324 /nfs/dbraw/zinc/31/83/24/354318324.db2.gz CWAHMTIYNGKANQ-VHSXEESVSA-N 2 1 229.324 -0.617 20 0 BBADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000344637723 354318320 /nfs/dbraw/zinc/31/83/20/354318320.db2.gz CWAHMTIYNGKANQ-VHSXEESVSA-N 2 1 229.324 -0.617 20 0 BBADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000344637724 354319369 /nfs/dbraw/zinc/31/93/69/354319369.db2.gz CWAHMTIYNGKANQ-ZJUUUORDSA-N 2 1 229.324 -0.617 20 0 BBADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000344637724 354319367 /nfs/dbraw/zinc/31/93/67/354319367.db2.gz CWAHMTIYNGKANQ-ZJUUUORDSA-N 2 1 229.324 -0.617 20 0 BBADMP CN(C)CC[N@@H+](C)CCCNC1=[NH+]CCCN1 ZINC000345202955 386057469 /nfs/dbraw/zinc/05/74/69/386057469.db2.gz RJIUHFMVCKMDFU-UHFFFAOYSA-N 2 1 241.383 -0.191 20 0 BBADMP CN(C)CC[N@H+](C)CCCNC1=[NH+]CCCN1 ZINC000345202955 386057464 /nfs/dbraw/zinc/05/74/64/386057464.db2.gz RJIUHFMVCKMDFU-UHFFFAOYSA-N 2 1 241.383 -0.191 20 0 BBADMP CN(C)CC[N@@H+](C)CCCNC(N)=[NH2+] ZINC000345209120 386060794 /nfs/dbraw/zinc/06/07/94/386060794.db2.gz WZCJJEYBBKNFEM-UHFFFAOYSA-N 2 1 201.318 -0.647 20 0 BBADMP CN(C)CC[N@H+](C)CCCNC(N)=[NH2+] ZINC000345209120 386060788 /nfs/dbraw/zinc/06/07/88/386060788.db2.gz WZCJJEYBBKNFEM-UHFFFAOYSA-N 2 1 201.318 -0.647 20 0 BBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CN(C)CCO1 ZINC000345331882 354641690 /nfs/dbraw/zinc/64/16/90/354641690.db2.gz VOCPCZNYHFFART-GHMZBOCLSA-N 2 1 241.335 -0.521 20 0 BBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CN(C)CCO1 ZINC000345331882 354641685 /nfs/dbraw/zinc/64/16/85/354641685.db2.gz VOCPCZNYHFFART-GHMZBOCLSA-N 2 1 241.335 -0.521 20 0 BBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CN(C)CCO1 ZINC000345331884 354641599 /nfs/dbraw/zinc/64/15/99/354641599.db2.gz VOCPCZNYHFFART-MNOVXSKESA-N 2 1 241.335 -0.521 20 0 BBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CN(C)CCO1 ZINC000345331884 354641595 /nfs/dbraw/zinc/64/15/95/354641595.db2.gz VOCPCZNYHFFART-MNOVXSKESA-N 2 1 241.335 -0.521 20 0 BBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CN(C)CCO1 ZINC000345331885 354641939 /nfs/dbraw/zinc/64/19/39/354641939.db2.gz VOCPCZNYHFFART-QWRGUYRKSA-N 2 1 241.335 -0.521 20 0 BBADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CN(C)CCO1 ZINC000345331885 354641936 /nfs/dbraw/zinc/64/19/36/354641936.db2.gz VOCPCZNYHFFART-QWRGUYRKSA-N 2 1 241.335 -0.521 20 0 BBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CN(C)CCO1 ZINC000345331886 354641970 /nfs/dbraw/zinc/64/19/70/354641970.db2.gz VOCPCZNYHFFART-WDEREUQCSA-N 2 1 241.335 -0.521 20 0 BBADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CN(C)CCO1 ZINC000345331886 354641967 /nfs/dbraw/zinc/64/19/67/354641967.db2.gz VOCPCZNYHFFART-WDEREUQCSA-N 2 1 241.335 -0.521 20 0 BBADMP C[NH+](C)CCCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000346141801 386165376 /nfs/dbraw/zinc/16/53/76/386165376.db2.gz ZXGSHVPCLGJLMZ-LLVKDONJSA-N 2 1 243.351 -0.225 20 0 BBADMP C[NH+](C)CCCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000346141801 386165374 /nfs/dbraw/zinc/16/53/74/386165374.db2.gz ZXGSHVPCLGJLMZ-LLVKDONJSA-N 2 1 243.351 -0.225 20 0 BBADMP C[NH+](C)CCCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000346141803 386165234 /nfs/dbraw/zinc/16/52/34/386165234.db2.gz ZXGSHVPCLGJLMZ-NSHDSACASA-N 2 1 243.351 -0.225 20 0 BBADMP C[NH+](C)CCCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000346141803 386165228 /nfs/dbraw/zinc/16/52/28/386165228.db2.gz ZXGSHVPCLGJLMZ-NSHDSACASA-N 2 1 243.351 -0.225 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH+](C)C)C1 ZINC000346150643 170003925 /nfs/dbraw/zinc/00/39/25/170003925.db2.gz ZABVBJVQXUTDGC-GHMZBOCLSA-N 2 1 243.351 -0.227 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH+](C)C)C1 ZINC000346150643 170003924 /nfs/dbraw/zinc/00/39/24/170003924.db2.gz ZABVBJVQXUTDGC-GHMZBOCLSA-N 2 1 243.351 -0.227 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH+](C)C)C1 ZINC000346150644 170006966 /nfs/dbraw/zinc/00/69/66/170006966.db2.gz ZABVBJVQXUTDGC-MNOVXSKESA-N 2 1 243.351 -0.227 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH+](C)C)C1 ZINC000346150644 170006965 /nfs/dbraw/zinc/00/69/65/170006965.db2.gz ZABVBJVQXUTDGC-MNOVXSKESA-N 2 1 243.351 -0.227 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000346150646 170006160 /nfs/dbraw/zinc/00/61/60/170006160.db2.gz ZABVBJVQXUTDGC-QWRGUYRKSA-N 2 1 243.351 -0.227 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000346150646 170006159 /nfs/dbraw/zinc/00/61/59/170006159.db2.gz ZABVBJVQXUTDGC-QWRGUYRKSA-N 2 1 243.351 -0.227 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000346150648 170002306 /nfs/dbraw/zinc/00/23/06/170002306.db2.gz ZABVBJVQXUTDGC-WDEREUQCSA-N 2 1 243.351 -0.227 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000346150648 170002305 /nfs/dbraw/zinc/00/23/05/170002305.db2.gz ZABVBJVQXUTDGC-WDEREUQCSA-N 2 1 243.351 -0.227 20 0 BBADMP C[C@H](C[NH+](C)C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000346265991 354884845 /nfs/dbraw/zinc/88/48/45/354884845.db2.gz OKBASGRRTSCDSA-NXEZZACHSA-N 2 1 229.324 -0.617 20 0 BBADMP C[C@H](C[NH+](C)C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000346265991 354884843 /nfs/dbraw/zinc/88/48/43/354884843.db2.gz OKBASGRRTSCDSA-NXEZZACHSA-N 2 1 229.324 -0.617 20 0 BBADMP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000346265994 354884692 /nfs/dbraw/zinc/88/46/92/354884692.db2.gz OKBASGRRTSCDSA-UWVGGRQHSA-N 2 1 229.324 -0.617 20 0 BBADMP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000346265994 354884690 /nfs/dbraw/zinc/88/46/90/354884690.db2.gz OKBASGRRTSCDSA-UWVGGRQHSA-N 2 1 229.324 -0.617 20 0 BBADMP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000346265999 354884805 /nfs/dbraw/zinc/88/48/05/354884805.db2.gz OKBASGRRTSCDSA-VHSXEESVSA-N 2 1 229.324 -0.617 20 0 BBADMP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000346265999 354884803 /nfs/dbraw/zinc/88/48/03/354884803.db2.gz OKBASGRRTSCDSA-VHSXEESVSA-N 2 1 229.324 -0.617 20 0 BBADMP C[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000346266004 354884921 /nfs/dbraw/zinc/88/49/21/354884921.db2.gz OKBASGRRTSCDSA-ZJUUUORDSA-N 2 1 229.324 -0.617 20 0 BBADMP C[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000346266004 354884919 /nfs/dbraw/zinc/88/49/19/354884919.db2.gz OKBASGRRTSCDSA-ZJUUUORDSA-N 2 1 229.324 -0.617 20 0 BBADMP COC(=O)[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000346819494 355123623 /nfs/dbraw/zinc/12/36/23/355123623.db2.gz HEHPZKZHRTWTHK-LLVKDONJSA-N 2 1 242.319 -0.140 20 0 BBADMP COC(=O)[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000346819496 355123800 /nfs/dbraw/zinc/12/38/00/355123800.db2.gz HEHPZKZHRTWTHK-NSHDSACASA-N 2 1 242.319 -0.140 20 0 BBADMP COCC[N@@H+](CC1CC[NH2+]CC1)[C@@H](C)C(N)=O ZINC000346820701 355125140 /nfs/dbraw/zinc/12/51/40/355125140.db2.gz DDJKNVWMYGKMTR-JTQLQIEISA-N 2 1 243.351 -0.192 20 0 BBADMP COCC[N@@H+](CC1CC[NH2+]CC1)[C@H](C)C(N)=O ZINC000346820702 355125117 /nfs/dbraw/zinc/12/51/17/355125117.db2.gz DDJKNVWMYGKMTR-SNVBAGLBSA-N 2 1 243.351 -0.192 20 0 BBADMP COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CC1CC[NH2+]CC1 ZINC000346852472 355139191 /nfs/dbraw/zinc/13/91/91/355139191.db2.gz RQZIGUJRZYDJMZ-QWRGUYRKSA-N 2 1 242.319 -0.406 20 0 BBADMP Cn1nncc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346855653 388520496 /nfs/dbraw/zinc/52/04/96/388520496.db2.gz VBKZCUXIOWTKRO-GDPRMGEGSA-N 2 1 221.308 -0.016 20 0 BBADMP Cn1nncc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346855653 388520493 /nfs/dbraw/zinc/52/04/93/388520493.db2.gz VBKZCUXIOWTKRO-GDPRMGEGSA-N 2 1 221.308 -0.016 20 0 BBADMP Cn1nncc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346855656 388520297 /nfs/dbraw/zinc/52/02/97/388520297.db2.gz VBKZCUXIOWTKRO-INTQDDNPSA-N 2 1 221.308 -0.016 20 0 BBADMP Cn1nncc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346855656 388520295 /nfs/dbraw/zinc/52/02/95/388520295.db2.gz VBKZCUXIOWTKRO-INTQDDNPSA-N 2 1 221.308 -0.016 20 0 BBADMP Cn1nncc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346855659 388520540 /nfs/dbraw/zinc/52/05/40/388520540.db2.gz VBKZCUXIOWTKRO-JMJZKYOTSA-N 2 1 221.308 -0.016 20 0 BBADMP Cn1nncc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346855659 388520539 /nfs/dbraw/zinc/52/05/39/388520539.db2.gz VBKZCUXIOWTKRO-JMJZKYOTSA-N 2 1 221.308 -0.016 20 0 BBADMP Cn1nncc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346855662 388520388 /nfs/dbraw/zinc/52/03/88/388520388.db2.gz VBKZCUXIOWTKRO-LSJOCFKGSA-N 2 1 221.308 -0.016 20 0 BBADMP Cn1nncc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346855662 388520387 /nfs/dbraw/zinc/52/03/87/388520387.db2.gz VBKZCUXIOWTKRO-LSJOCFKGSA-N 2 1 221.308 -0.016 20 0 BBADMP CNC(=O)[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000346972449 355208551 /nfs/dbraw/zinc/20/85/51/355208551.db2.gz HKQLQMZIVUTYHB-LLVKDONJSA-N 2 1 241.335 -0.567 20 0 BBADMP CNC(=O)[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000346972452 355208273 /nfs/dbraw/zinc/20/82/73/355208273.db2.gz HKQLQMZIVUTYHB-NSHDSACASA-N 2 1 241.335 -0.567 20 0 BBADMP NC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346977456 355211674 /nfs/dbraw/zinc/21/16/74/355211674.db2.gz KQMLIUHYQNLVFB-NXEZZACHSA-N 2 1 226.324 -0.271 20 0 BBADMP NC(=O)N[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346977460 355211545 /nfs/dbraw/zinc/21/15/45/355211545.db2.gz KQMLIUHYQNLVFB-UWVGGRQHSA-N 2 1 226.324 -0.271 20 0 BBADMP NC(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346977462 355211626 /nfs/dbraw/zinc/21/16/26/355211626.db2.gz KQMLIUHYQNLVFB-VHSXEESVSA-N 2 1 226.324 -0.271 20 0 BBADMP NC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346977467 355211577 /nfs/dbraw/zinc/21/15/77/355211577.db2.gz KQMLIUHYQNLVFB-ZJUUUORDSA-N 2 1 226.324 -0.271 20 0 BBADMP NC(=O)N[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000346988499 355189318 /nfs/dbraw/zinc/18/93/18/355189318.db2.gz RICWVDYICJWIJA-JTQLQIEISA-N 2 1 226.324 -0.271 20 0 BBADMP NC(=O)N[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000346988502 135987632 /nfs/dbraw/zinc/98/76/32/135987632.db2.gz RICWVDYICJWIJA-SNVBAGLBSA-N 2 1 226.324 -0.271 20 0 BBADMP C[C@H](Cn1cccn1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000347534186 386443871 /nfs/dbraw/zinc/44/38/71/386443871.db2.gz YALXRPAUXDFMDR-NEPJUHHUSA-N 2 1 238.335 -0.072 20 0 BBADMP C[C@H](Cn1cccn1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000347534186 386443868 /nfs/dbraw/zinc/44/38/68/386443868.db2.gz YALXRPAUXDFMDR-NEPJUHHUSA-N 2 1 238.335 -0.072 20 0 BBADMP C[C@@H](Cn1cccn1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000347534190 386444304 /nfs/dbraw/zinc/44/43/04/386444304.db2.gz YALXRPAUXDFMDR-NWDGAFQWSA-N 2 1 238.335 -0.072 20 0 BBADMP C[C@@H](Cn1cccn1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000347534190 386444301 /nfs/dbraw/zinc/44/43/01/386444301.db2.gz YALXRPAUXDFMDR-NWDGAFQWSA-N 2 1 238.335 -0.072 20 0 BBADMP C[C@@H](Cn1cccn1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000347534191 386443166 /nfs/dbraw/zinc/44/31/66/386443166.db2.gz YALXRPAUXDFMDR-RYUDHWBXSA-N 2 1 238.335 -0.072 20 0 BBADMP C[C@@H](Cn1cccn1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000347534191 386443158 /nfs/dbraw/zinc/44/31/58/386443158.db2.gz YALXRPAUXDFMDR-RYUDHWBXSA-N 2 1 238.335 -0.072 20 0 BBADMP C[C@H](Cn1cccn1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000347534193 386444856 /nfs/dbraw/zinc/44/48/56/386444856.db2.gz YALXRPAUXDFMDR-VXGBXAGGSA-N 2 1 238.335 -0.072 20 0 BBADMP C[C@H](Cn1cccn1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000347534193 386444851 /nfs/dbraw/zinc/44/48/51/386444851.db2.gz YALXRPAUXDFMDR-VXGBXAGGSA-N 2 1 238.335 -0.072 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH3+])C1 ZINC000347628463 355240307 /nfs/dbraw/zinc/24/03/07/355240307.db2.gz XWNWXHHUZGSAQE-BDAKNGLRSA-N 2 1 215.297 -0.830 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH3+])C1 ZINC000347628463 355240302 /nfs/dbraw/zinc/24/03/02/355240302.db2.gz XWNWXHHUZGSAQE-BDAKNGLRSA-N 2 1 215.297 -0.830 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH3+])C1 ZINC000347628465 355239875 /nfs/dbraw/zinc/23/98/75/355239875.db2.gz XWNWXHHUZGSAQE-RKDXNWHRSA-N 2 1 215.297 -0.830 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH3+])C1 ZINC000347628465 355239872 /nfs/dbraw/zinc/23/98/72/355239872.db2.gz XWNWXHHUZGSAQE-RKDXNWHRSA-N 2 1 215.297 -0.830 20 0 BBADMP CCN1CC[NH+](CCC(=O)N[C@H](C)C[NH3+])CC1 ZINC000347649712 535682918 /nfs/dbraw/zinc/68/29/18/535682918.db2.gz PRXREZWXNWOQEW-LLVKDONJSA-N 2 1 242.367 -0.523 20 0 BBADMP CCN1CC[NH+](CCC(=O)N[C@@H](C)C[NH3+])CC1 ZINC000347649714 535681079 /nfs/dbraw/zinc/68/10/79/535681079.db2.gz PRXREZWXNWOQEW-NSHDSACASA-N 2 1 242.367 -0.523 20 0 BBADMP C[N@H+]1CCCN(C(=O)CCOC2C[NH2+]C2)CC1 ZINC000347655161 136001897 /nfs/dbraw/zinc/00/18/97/136001897.db2.gz OQJHTMNBHULKJJ-UHFFFAOYSA-N 2 1 241.335 -0.471 20 0 BBADMP CN(C)C(=O)C[N@H+](C)CCc1cncn1C ZINC000347745709 136010848 /nfs/dbraw/zinc/01/08/48/136010848.db2.gz WLZMKIUIKNMHKD-UHFFFAOYSA-N 2 1 224.308 -0.017 20 0 BBADMP CC[NH+](CCO)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC000347792519 136010251 /nfs/dbraw/zinc/01/02/51/136010251.db2.gz BACRMIAOIHPAFF-LLVKDONJSA-N 2 1 243.351 -0.489 20 0 BBADMP CC[NH+](CCO)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000347792523 136010104 /nfs/dbraw/zinc/01/01/04/136010104.db2.gz BACRMIAOIHPAFF-NSHDSACASA-N 2 1 243.351 -0.489 20 0 BBADMP CCC[NH+](C)CC(=O)NCC[N@@H+](CC)CCO ZINC000347795120 136010208 /nfs/dbraw/zinc/01/02/08/136010208.db2.gz DNBHKXGYLVWBET-UHFFFAOYSA-N 2 1 245.367 -0.241 20 0 BBADMP C[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000348345014 535835920 /nfs/dbraw/zinc/83/59/20/535835920.db2.gz YQIYXTIMPFOWAG-JTQLQIEISA-N 2 1 229.324 -0.615 20 0 BBADMP C[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000348345014 535835916 /nfs/dbraw/zinc/83/59/16/535835916.db2.gz YQIYXTIMPFOWAG-JTQLQIEISA-N 2 1 229.324 -0.615 20 0 BBADMP C[NH+](C)CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000348345016 136071566 /nfs/dbraw/zinc/07/15/66/136071566.db2.gz YQIYXTIMPFOWAG-SNVBAGLBSA-N 2 1 229.324 -0.615 20 0 BBADMP C[NH+](C)CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000348345016 136071565 /nfs/dbraw/zinc/07/15/65/136071565.db2.gz YQIYXTIMPFOWAG-SNVBAGLBSA-N 2 1 229.324 -0.615 20 0 BBADMP C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000348937098 536343908 /nfs/dbraw/zinc/34/39/08/536343908.db2.gz YXVXNYWCVIUTNB-LLVKDONJSA-N 2 1 241.335 -0.473 20 0 BBADMP C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000348937098 536343906 /nfs/dbraw/zinc/34/39/06/536343906.db2.gz YXVXNYWCVIUTNB-LLVKDONJSA-N 2 1 241.335 -0.473 20 0 BBADMP C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000348937103 536342776 /nfs/dbraw/zinc/34/27/76/536342776.db2.gz YXVXNYWCVIUTNB-NSHDSACASA-N 2 1 241.335 -0.473 20 0 BBADMP C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000348937103 536342774 /nfs/dbraw/zinc/34/27/74/536342774.db2.gz YXVXNYWCVIUTNB-NSHDSACASA-N 2 1 241.335 -0.473 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000348988627 355336978 /nfs/dbraw/zinc/33/69/78/355336978.db2.gz BNTRWRJYEFICMQ-JTQLQIEISA-N 2 1 241.335 -0.425 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000348988628 355336793 /nfs/dbraw/zinc/33/67/93/355336793.db2.gz BNTRWRJYEFICMQ-SNVBAGLBSA-N 2 1 241.335 -0.425 20 0 BBADMP CC[NH+]1CCN(C(=O)CCOC2C[NH2+]C2)CC1 ZINC000348991274 136314036 /nfs/dbraw/zinc/31/40/36/136314036.db2.gz NGHWUXKDRQPRPV-UHFFFAOYSA-N 2 1 241.335 -0.471 20 0 BBADMP CC(C)[N@@H+](C)CCNC(=O)CCOC1C[NH2+]C1 ZINC000348994295 136314232 /nfs/dbraw/zinc/31/42/32/136314232.db2.gz SLIHGUNEWQJJDA-UHFFFAOYSA-N 2 1 243.351 -0.179 20 0 BBADMP C[N@H+]1CC[C@@H](CNC(=O)CCOC2C[NH2+]C2)C1 ZINC000349000443 136315188 /nfs/dbraw/zinc/31/51/88/136315188.db2.gz NHNQBTDADSCHRA-JTQLQIEISA-N 2 1 241.335 -0.567 20 0 BBADMP C[N@H+]1CC[C@H](CNC(=O)CCOC2C[NH2+]C2)C1 ZINC000349000444 136314903 /nfs/dbraw/zinc/31/49/03/136314903.db2.gz NHNQBTDADSCHRA-SNVBAGLBSA-N 2 1 241.335 -0.567 20 0 BBADMP C[C@H]1C[N@H+](C)CCN1C(=O)CCOC1C[NH2+]C1 ZINC000349002963 136315481 /nfs/dbraw/zinc/31/54/81/136315481.db2.gz PYMFNDSYCDGMMJ-JTQLQIEISA-N 2 1 241.335 -0.473 20 0 BBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)CCOC1C[NH2+]C1 ZINC000349002964 136315400 /nfs/dbraw/zinc/31/54/00/136315400.db2.gz PYMFNDSYCDGMMJ-SNVBAGLBSA-N 2 1 241.335 -0.473 20 0 BBADMP C[NH+]1CCN(C(=O)CCOC2C[NH2+]C2)CC1 ZINC000349026635 536403982 /nfs/dbraw/zinc/40/39/82/536403982.db2.gz KKJKPOOCLJSWBG-UHFFFAOYSA-N 2 1 227.308 -0.861 20 0 BBADMP C[N@@H+](CCNC(=O)CCOC1C[NH2+]C1)C1CC1 ZINC000349027082 136318565 /nfs/dbraw/zinc/31/85/65/136318565.db2.gz LDHSBFRFSKQFAH-UHFFFAOYSA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@@H+](C)CCNC(=O)CCOC1C[NH2+]C1 ZINC000349063637 355338993 /nfs/dbraw/zinc/33/89/93/355338993.db2.gz YVGXCGLIKFRLBC-UHFFFAOYSA-N 2 1 229.324 -0.567 20 0 BBADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CCOC ZINC000349211409 136331958 /nfs/dbraw/zinc/33/19/58/136331958.db2.gz XQNQECCYSULBCN-UHFFFAOYSA-N 2 1 231.340 -0.320 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CC[NH3+])C1 ZINC000349917564 355526532 /nfs/dbraw/zinc/52/65/32/355526532.db2.gz SPUVIAPGEPOUIA-NXEZZACHSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CC[NH3+])C1 ZINC000349917564 355526531 /nfs/dbraw/zinc/52/65/31/355526531.db2.gz SPUVIAPGEPOUIA-NXEZZACHSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000349917565 133925741 /nfs/dbraw/zinc/92/57/41/133925741.db2.gz SPUVIAPGEPOUIA-UWVGGRQHSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000349917565 133925740 /nfs/dbraw/zinc/92/57/40/133925740.db2.gz SPUVIAPGEPOUIA-UWVGGRQHSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000349917567 355526699 /nfs/dbraw/zinc/52/66/99/355526699.db2.gz SPUVIAPGEPOUIA-VHSXEESVSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000349917567 355526696 /nfs/dbraw/zinc/52/66/96/355526696.db2.gz SPUVIAPGEPOUIA-VHSXEESVSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)CC[NH3+])C1 ZINC000349917569 355526905 /nfs/dbraw/zinc/52/69/05/355526905.db2.gz SPUVIAPGEPOUIA-ZJUUUORDSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CC[NH3+])C1 ZINC000349917569 355526902 /nfs/dbraw/zinc/52/69/02/355526902.db2.gz SPUVIAPGEPOUIA-ZJUUUORDSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC000350162114 355618803 /nfs/dbraw/zinc/61/88/03/355618803.db2.gz ZDMIGXLOJVUEGZ-LLVKDONJSA-N 2 1 243.351 -0.096 20 0 BBADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC000350162114 355618800 /nfs/dbraw/zinc/61/88/00/355618800.db2.gz ZDMIGXLOJVUEGZ-LLVKDONJSA-N 2 1 243.351 -0.096 20 0 BBADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC000350162115 355618851 /nfs/dbraw/zinc/61/88/51/355618851.db2.gz ZDMIGXLOJVUEGZ-NSHDSACASA-N 2 1 243.351 -0.096 20 0 BBADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(N)=O)C1 ZINC000350162115 355618848 /nfs/dbraw/zinc/61/88/48/355618848.db2.gz ZDMIGXLOJVUEGZ-NSHDSACASA-N 2 1 243.351 -0.096 20 0 BBADMP C[C@H](CNC1=[NH+]CCCN1)C[NH+]1CCOCC1 ZINC000350741397 355753825 /nfs/dbraw/zinc/75/38/25/355753825.db2.gz OSMVKFBMRKKKLU-LLVKDONJSA-N 2 1 240.351 -0.106 20 0 BBADMP C[C@@H](CNC1=[NH+]CCCN1)C[NH+]1CCOCC1 ZINC000350741398 355753648 /nfs/dbraw/zinc/75/36/48/355753648.db2.gz OSMVKFBMRKKKLU-NSHDSACASA-N 2 1 240.351 -0.106 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH+](C)C)C1 ZINC000350891063 355865322 /nfs/dbraw/zinc/86/53/22/355865322.db2.gz BTQAEENWNAYFCS-GHMZBOCLSA-N 2 1 243.351 -0.227 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH+](C)C)C1 ZINC000350891063 355865318 /nfs/dbraw/zinc/86/53/18/355865318.db2.gz BTQAEENWNAYFCS-GHMZBOCLSA-N 2 1 243.351 -0.227 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH+](C)C)C1 ZINC000350891064 355865179 /nfs/dbraw/zinc/86/51/79/355865179.db2.gz BTQAEENWNAYFCS-MNOVXSKESA-N 2 1 243.351 -0.227 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH+](C)C)C1 ZINC000350891064 355865178 /nfs/dbraw/zinc/86/51/78/355865178.db2.gz BTQAEENWNAYFCS-MNOVXSKESA-N 2 1 243.351 -0.227 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH+](C)C)C1 ZINC000350891065 355865154 /nfs/dbraw/zinc/86/51/54/355865154.db2.gz BTQAEENWNAYFCS-QWRGUYRKSA-N 2 1 243.351 -0.227 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH+](C)C)C1 ZINC000350891065 355865151 /nfs/dbraw/zinc/86/51/51/355865151.db2.gz BTQAEENWNAYFCS-QWRGUYRKSA-N 2 1 243.351 -0.227 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH+](C)C)C1 ZINC000350891066 355866236 /nfs/dbraw/zinc/86/62/36/355866236.db2.gz BTQAEENWNAYFCS-WDEREUQCSA-N 2 1 243.351 -0.227 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH+](C)C)C1 ZINC000350891066 355866235 /nfs/dbraw/zinc/86/62/35/355866235.db2.gz BTQAEENWNAYFCS-WDEREUQCSA-N 2 1 243.351 -0.227 20 0 BBADMP CS(=O)(=O)NCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351480881 136246037 /nfs/dbraw/zinc/24/60/37/136246037.db2.gz WEEFGFSUPBKGQA-AEJSXWLSSA-N 2 1 247.364 -0.795 20 0 BBADMP CS(=O)(=O)NCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351480881 136246036 /nfs/dbraw/zinc/24/60/36/136246036.db2.gz WEEFGFSUPBKGQA-AEJSXWLSSA-N 2 1 247.364 -0.795 20 0 BBADMP CS(=O)(=O)NCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351480882 136245868 /nfs/dbraw/zinc/24/58/68/136245868.db2.gz WEEFGFSUPBKGQA-GUBZILKMSA-N 2 1 247.364 -0.795 20 0 BBADMP CS(=O)(=O)NCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351480882 136245867 /nfs/dbraw/zinc/24/58/67/136245867.db2.gz WEEFGFSUPBKGQA-GUBZILKMSA-N 2 1 247.364 -0.795 20 0 BBADMP CS(=O)(=O)NCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351480883 136246292 /nfs/dbraw/zinc/24/62/92/136246292.db2.gz WEEFGFSUPBKGQA-IVZWLZJFSA-N 2 1 247.364 -0.795 20 0 BBADMP CS(=O)(=O)NCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351480883 136246291 /nfs/dbraw/zinc/24/62/91/136246291.db2.gz WEEFGFSUPBKGQA-IVZWLZJFSA-N 2 1 247.364 -0.795 20 0 BBADMP CS(=O)(=O)NCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351480884 136246086 /nfs/dbraw/zinc/24/60/86/136246086.db2.gz WEEFGFSUPBKGQA-LPEHRKFASA-N 2 1 247.364 -0.795 20 0 BBADMP CS(=O)(=O)NCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351480884 136246085 /nfs/dbraw/zinc/24/60/85/136246085.db2.gz WEEFGFSUPBKGQA-LPEHRKFASA-N 2 1 247.364 -0.795 20 0 BBADMP CNC(=O)CC[N@@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000351497156 356002569 /nfs/dbraw/zinc/00/25/69/356002569.db2.gz TUCFERKTOOOJHD-LLVKDONJSA-N 2 1 243.351 -0.491 20 0 BBADMP CNC(=O)CC[N@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000351497156 356002565 /nfs/dbraw/zinc/00/25/65/356002565.db2.gz TUCFERKTOOOJHD-LLVKDONJSA-N 2 1 243.351 -0.491 20 0 BBADMP CNC(=O)CC[N@@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000351497157 356002763 /nfs/dbraw/zinc/00/27/63/356002763.db2.gz TUCFERKTOOOJHD-NSHDSACASA-N 2 1 243.351 -0.491 20 0 BBADMP CNC(=O)CC[N@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000351497157 356002759 /nfs/dbraw/zinc/00/27/59/356002759.db2.gz TUCFERKTOOOJHD-NSHDSACASA-N 2 1 243.351 -0.491 20 0 BBADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[NH2+]3)C[C@@H]12 ZINC000351545929 356012665 /nfs/dbraw/zinc/01/26/65/356012665.db2.gz YETLXTSOCRIWRW-DBIOUOCHSA-N 2 1 239.319 -0.830 20 0 BBADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3COCC[NH2+]3)C[C@@H]12 ZINC000351545932 356012676 /nfs/dbraw/zinc/01/26/76/356012676.db2.gz YETLXTSOCRIWRW-GWOFURMSSA-N 2 1 239.319 -0.830 20 0 BBADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3COCC[NH2+]3)C[C@H]12 ZINC000351545933 356013144 /nfs/dbraw/zinc/01/31/44/356013144.db2.gz YETLXTSOCRIWRW-LMLFDSFASA-N 2 1 239.319 -0.830 20 0 BBADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[NH2+]3)C[C@H]12 ZINC000351545934 356013200 /nfs/dbraw/zinc/01/32/00/356013200.db2.gz YETLXTSOCRIWRW-YTWAJWBKSA-N 2 1 239.319 -0.830 20 0 BBADMP CN(C[C@@H](O)C[N@@H+](C)C1CC(O)C1)C1CC1 ZINC000351585452 356022091 /nfs/dbraw/zinc/02/20/91/356022091.db2.gz YMQPFJRRARSVQQ-HTAVTVPLSA-N 2 1 228.336 -0.103 20 0 BBADMP CN(C[C@H](O)C[N@@H+](C)C1CC(O)C1)C1CC1 ZINC000351585453 356021445 /nfs/dbraw/zinc/02/14/45/356021445.db2.gz YMQPFJRRARSVQQ-MCIGGMRASA-N 2 1 228.336 -0.103 20 0 BBADMP CC[N@@H+](CCCO)CCC(=O)N1CC[NH2+]CC1 ZINC000351607510 136369698 /nfs/dbraw/zinc/36/96/98/136369698.db2.gz KUSRMUFAOALNEF-UHFFFAOYSA-N 2 1 243.351 -0.487 20 0 BBADMP C[C@@H](O)CC[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000351622432 356032197 /nfs/dbraw/zinc/03/21/97/356032197.db2.gz JIVZCBVBYKAGHV-LLVKDONJSA-N 2 1 243.351 -0.489 20 0 BBADMP C[C@H](O)CC[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000351622434 356031885 /nfs/dbraw/zinc/03/18/85/356031885.db2.gz JIVZCBVBYKAGHV-NSHDSACASA-N 2 1 243.351 -0.489 20 0 BBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351847708 136257042 /nfs/dbraw/zinc/25/70/42/136257042.db2.gz AWBLDPKBGYAULL-NXEZZACHSA-N 2 1 249.380 -0.405 20 0 BBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351847709 136257094 /nfs/dbraw/zinc/25/70/94/136257094.db2.gz AWBLDPKBGYAULL-UWVGGRQHSA-N 2 1 249.380 -0.405 20 0 BBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351847710 136257176 /nfs/dbraw/zinc/25/71/76/136257176.db2.gz AWBLDPKBGYAULL-VHSXEESVSA-N 2 1 249.380 -0.405 20 0 BBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351847711 136257256 /nfs/dbraw/zinc/25/72/56/136257256.db2.gz AWBLDPKBGYAULL-ZJUUUORDSA-N 2 1 249.380 -0.405 20 0 BBADMP CCOCCNC(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351849428 136257540 /nfs/dbraw/zinc/25/75/40/136257540.db2.gz GSOHFFKYCQUZBK-GHMZBOCLSA-N 2 1 243.351 -0.192 20 0 BBADMP CCOCCNC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351849428 136257539 /nfs/dbraw/zinc/25/75/39/136257539.db2.gz GSOHFFKYCQUZBK-GHMZBOCLSA-N 2 1 243.351 -0.192 20 0 BBADMP CCOCCNC(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351849430 136257908 /nfs/dbraw/zinc/25/79/08/136257908.db2.gz GSOHFFKYCQUZBK-MNOVXSKESA-N 2 1 243.351 -0.192 20 0 BBADMP CCOCCNC(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351849430 136257907 /nfs/dbraw/zinc/25/79/07/136257907.db2.gz GSOHFFKYCQUZBK-MNOVXSKESA-N 2 1 243.351 -0.192 20 0 BBADMP CCOCCNC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351849431 136257782 /nfs/dbraw/zinc/25/77/82/136257782.db2.gz GSOHFFKYCQUZBK-QWRGUYRKSA-N 2 1 243.351 -0.192 20 0 BBADMP CCOCCNC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351849431 136257781 /nfs/dbraw/zinc/25/77/81/136257781.db2.gz GSOHFFKYCQUZBK-QWRGUYRKSA-N 2 1 243.351 -0.192 20 0 BBADMP CCOCCNC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351849433 136257498 /nfs/dbraw/zinc/25/74/98/136257498.db2.gz GSOHFFKYCQUZBK-WDEREUQCSA-N 2 1 243.351 -0.192 20 0 BBADMP CCOCCNC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351849433 136257497 /nfs/dbraw/zinc/25/74/97/136257497.db2.gz GSOHFFKYCQUZBK-WDEREUQCSA-N 2 1 243.351 -0.192 20 0 BBADMP CCS(=O)(=O)NCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351859672 356098410 /nfs/dbraw/zinc/09/84/10/356098410.db2.gz GNYYBYUNMZJEPX-NXEZZACHSA-N 2 1 249.380 -0.405 20 0 BBADMP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351859672 356098405 /nfs/dbraw/zinc/09/84/05/356098405.db2.gz GNYYBYUNMZJEPX-NXEZZACHSA-N 2 1 249.380 -0.405 20 0 BBADMP CCS(=O)(=O)NCC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351859673 356098259 /nfs/dbraw/zinc/09/82/59/356098259.db2.gz GNYYBYUNMZJEPX-UWVGGRQHSA-N 2 1 249.380 -0.405 20 0 BBADMP CCS(=O)(=O)NCC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351859673 356098257 /nfs/dbraw/zinc/09/82/57/356098257.db2.gz GNYYBYUNMZJEPX-UWVGGRQHSA-N 2 1 249.380 -0.405 20 0 BBADMP CCS(=O)(=O)NCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351859674 356097863 /nfs/dbraw/zinc/09/78/63/356097863.db2.gz GNYYBYUNMZJEPX-VHSXEESVSA-N 2 1 249.380 -0.405 20 0 BBADMP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351859674 356097861 /nfs/dbraw/zinc/09/78/61/356097861.db2.gz GNYYBYUNMZJEPX-VHSXEESVSA-N 2 1 249.380 -0.405 20 0 BBADMP CCS(=O)(=O)NCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351859675 356098202 /nfs/dbraw/zinc/09/82/02/356098202.db2.gz GNYYBYUNMZJEPX-ZJUUUORDSA-N 2 1 249.380 -0.405 20 0 BBADMP CCS(=O)(=O)NCC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351859675 356098200 /nfs/dbraw/zinc/09/82/00/356098200.db2.gz GNYYBYUNMZJEPX-ZJUUUORDSA-N 2 1 249.380 -0.405 20 0 BBADMP Cc1[nH+]ccn1CC[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000352032396 134044827 /nfs/dbraw/zinc/04/48/27/134044827.db2.gz LHNYXRVEMZCYCQ-GHMZBOCLSA-N 2 1 225.292 -0.381 20 0 BBADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000352032396 134044826 /nfs/dbraw/zinc/04/48/26/134044826.db2.gz LHNYXRVEMZCYCQ-GHMZBOCLSA-N 2 1 225.292 -0.381 20 0 BBADMP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000352032397 134045289 /nfs/dbraw/zinc/04/52/89/134045289.db2.gz LHNYXRVEMZCYCQ-MNOVXSKESA-N 2 1 225.292 -0.381 20 0 BBADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000352032397 134045288 /nfs/dbraw/zinc/04/52/88/134045288.db2.gz LHNYXRVEMZCYCQ-MNOVXSKESA-N 2 1 225.292 -0.381 20 0 BBADMP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000352032398 134044968 /nfs/dbraw/zinc/04/49/68/134044968.db2.gz LHNYXRVEMZCYCQ-QWRGUYRKSA-N 2 1 225.292 -0.381 20 0 BBADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000352032398 134044967 /nfs/dbraw/zinc/04/49/67/134044967.db2.gz LHNYXRVEMZCYCQ-QWRGUYRKSA-N 2 1 225.292 -0.381 20 0 BBADMP Cc1[nH+]ccn1CC[N@H+]1C[C@H](O)C[C@H]1CO ZINC000352032399 134045098 /nfs/dbraw/zinc/04/50/98/134045098.db2.gz LHNYXRVEMZCYCQ-WDEREUQCSA-N 2 1 225.292 -0.381 20 0 BBADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000352032399 134045097 /nfs/dbraw/zinc/04/50/97/134045097.db2.gz LHNYXRVEMZCYCQ-WDEREUQCSA-N 2 1 225.292 -0.381 20 0 BBADMP CN(C[C@@H](O)C[N@@H+](C)C1(CO)CC1)C1CC1 ZINC000352115237 134071142 /nfs/dbraw/zinc/07/11/42/134071142.db2.gz JCKGRDZGFJFNPI-LLVKDONJSA-N 2 1 228.336 -0.102 20 0 BBADMP CN(C[C@@H](O)C[N@H+](C)C1(CO)CC1)C1CC1 ZINC000352115237 134071141 /nfs/dbraw/zinc/07/11/41/134071141.db2.gz JCKGRDZGFJFNPI-LLVKDONJSA-N 2 1 228.336 -0.102 20 0 BBADMP CN(C[C@H](O)C[N@@H+](C)C1CC1)C1(CO)CC1 ZINC000352115237 134071140 /nfs/dbraw/zinc/07/11/40/134071140.db2.gz JCKGRDZGFJFNPI-LLVKDONJSA-N 2 1 228.336 -0.102 20 0 BBADMP CN(C[C@H](O)C[N@@H+](C)C1(CO)CC1)C1CC1 ZINC000352115238 134071069 /nfs/dbraw/zinc/07/10/69/134071069.db2.gz JCKGRDZGFJFNPI-NSHDSACASA-N 2 1 228.336 -0.102 20 0 BBADMP CN(C[C@H](O)C[N@H+](C)C1(CO)CC1)C1CC1 ZINC000352115238 134071068 /nfs/dbraw/zinc/07/10/68/134071068.db2.gz JCKGRDZGFJFNPI-NSHDSACASA-N 2 1 228.336 -0.102 20 0 BBADMP CN(C[C@@H](O)C[N@@H+](C)C1CC1)C1(CO)CC1 ZINC000352115238 134071067 /nfs/dbraw/zinc/07/10/67/134071067.db2.gz JCKGRDZGFJFNPI-NSHDSACASA-N 2 1 228.336 -0.102 20 0 BBADMP CN(C[C@@H](O)C[N@@H+](C)CCC(N)=O)C1CC1 ZINC000352115545 134072036 /nfs/dbraw/zinc/07/20/36/134072036.db2.gz MDGAOXHLNZXPGA-JTQLQIEISA-N 2 1 229.324 -0.751 20 0 BBADMP CN(C[C@H](O)C[N@@H+](C)CCC(N)=O)C1CC1 ZINC000352115546 134071707 /nfs/dbraw/zinc/07/17/07/134071707.db2.gz MDGAOXHLNZXPGA-SNVBAGLBSA-N 2 1 229.324 -0.751 20 0 BBADMP CS(=O)(=O)NCC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352503081 387264904 /nfs/dbraw/zinc/26/49/04/387264904.db2.gz BNYXTZCIPANPOF-JTQLQIEISA-N 2 1 249.380 -0.261 20 0 BBADMP CS(=O)(=O)NCC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352503081 387264900 /nfs/dbraw/zinc/26/49/00/387264900.db2.gz BNYXTZCIPANPOF-JTQLQIEISA-N 2 1 249.380 -0.261 20 0 BBADMP CS(=O)(=O)NCC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352503082 387266032 /nfs/dbraw/zinc/26/60/32/387266032.db2.gz BNYXTZCIPANPOF-SNVBAGLBSA-N 2 1 249.380 -0.261 20 0 BBADMP CS(=O)(=O)NCC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352503082 387266027 /nfs/dbraw/zinc/26/60/27/387266027.db2.gz BNYXTZCIPANPOF-SNVBAGLBSA-N 2 1 249.380 -0.261 20 0 BBADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000352797406 180252773 /nfs/dbraw/zinc/25/27/73/180252773.db2.gz AXFJFVUIIMNOAC-MNOVXSKESA-N 2 1 225.292 -0.117 20 0 BBADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000352797406 180252771 /nfs/dbraw/zinc/25/27/71/180252771.db2.gz AXFJFVUIIMNOAC-MNOVXSKESA-N 2 1 225.292 -0.117 20 0 BBADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1COC[C@@H]1O ZINC000352797411 180250232 /nfs/dbraw/zinc/25/02/32/180250232.db2.gz AXFJFVUIIMNOAC-QWRGUYRKSA-N 2 1 225.292 -0.117 20 0 BBADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1COC[C@@H]1O ZINC000352797411 180250231 /nfs/dbraw/zinc/25/02/31/180250231.db2.gz AXFJFVUIIMNOAC-QWRGUYRKSA-N 2 1 225.292 -0.117 20 0 BBADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1COC[C@H]1O ZINC000352797413 180250545 /nfs/dbraw/zinc/25/05/45/180250545.db2.gz AXFJFVUIIMNOAC-WDEREUQCSA-N 2 1 225.292 -0.117 20 0 BBADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1COC[C@H]1O ZINC000352797413 180250542 /nfs/dbraw/zinc/25/05/42/180250542.db2.gz AXFJFVUIIMNOAC-WDEREUQCSA-N 2 1 225.292 -0.117 20 0 BBADMP COCC[N@@H+](C)CCCNC(=O)[C@H](C[NH3+])OC ZINC000353422130 174275744 /nfs/dbraw/zinc/27/57/44/174275744.db2.gz ATCFVFZMNUXAMN-JTQLQIEISA-N 2 1 247.339 -0.955 20 0 BBADMP COCC[N@@H+](C)CCCNC(=O)[C@@H](C[NH3+])OC ZINC000353422131 174275292 /nfs/dbraw/zinc/27/52/92/174275292.db2.gz ATCFVFZMNUXAMN-SNVBAGLBSA-N 2 1 247.339 -0.955 20 0 BBADMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000353424524 386180898 /nfs/dbraw/zinc/18/08/98/386180898.db2.gz POVRJNRSAVESAG-AXFHLTTASA-N 2 1 239.319 -0.957 20 0 BBADMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000353424525 386181090 /nfs/dbraw/zinc/18/10/90/386181090.db2.gz POVRJNRSAVESAG-DCAQKATOSA-N 2 1 239.319 -0.957 20 0 BBADMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000353424526 386181119 /nfs/dbraw/zinc/18/11/19/386181119.db2.gz POVRJNRSAVESAG-MXWKQRLJSA-N 2 1 239.319 -0.957 20 0 BBADMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000353424527 386180499 /nfs/dbraw/zinc/18/04/99/386180499.db2.gz POVRJNRSAVESAG-VWYCJHECSA-N 2 1 239.319 -0.957 20 0 BBADMP CO[C@H](C[NH3+])C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000353435571 387201732 /nfs/dbraw/zinc/20/17/32/387201732.db2.gz AHFKTWPTSKLSLW-GHMZBOCLSA-N 2 1 243.351 -0.192 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000353435582 387202140 /nfs/dbraw/zinc/20/21/40/387202140.db2.gz AHFKTWPTSKLSLW-MNOVXSKESA-N 2 1 243.351 -0.192 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000353435583 387201941 /nfs/dbraw/zinc/20/19/41/387201941.db2.gz AHFKTWPTSKLSLW-QWRGUYRKSA-N 2 1 243.351 -0.192 20 0 BBADMP CO[C@H](C[NH3+])C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000353435585 386625115 /nfs/dbraw/zinc/62/51/15/386625115.db2.gz AHFKTWPTSKLSLW-WDEREUQCSA-N 2 1 243.351 -0.192 20 0 BBADMP CC[N@@H+](CCNC(=O)[C@H](C[NH3+])OC)C(C)C ZINC000353441547 387202278 /nfs/dbraw/zinc/20/22/78/387202278.db2.gz AHOBWOSOFOHGCN-JTQLQIEISA-N 2 1 231.340 -0.193 20 0 BBADMP CC[N@@H+](CCNC(=O)[C@@H](C[NH3+])OC)C(C)C ZINC000353441553 387202186 /nfs/dbraw/zinc/20/21/86/387202186.db2.gz AHOBWOSOFOHGCN-SNVBAGLBSA-N 2 1 231.340 -0.193 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000353447783 387203914 /nfs/dbraw/zinc/20/39/14/387203914.db2.gz LQPCWWCNTOOJRZ-GHMZBOCLSA-N 2 1 243.351 -0.240 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000353447789 387205036 /nfs/dbraw/zinc/20/50/36/387205036.db2.gz LQPCWWCNTOOJRZ-MNOVXSKESA-N 2 1 243.351 -0.240 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000353447790 387203847 /nfs/dbraw/zinc/20/38/47/387203847.db2.gz LQPCWWCNTOOJRZ-QWRGUYRKSA-N 2 1 243.351 -0.240 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000353447791 387204441 /nfs/dbraw/zinc/20/44/41/387204441.db2.gz LQPCWWCNTOOJRZ-WDEREUQCSA-N 2 1 243.351 -0.240 20 0 BBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C[NH3+])OC)C1 ZINC000353448497 387204862 /nfs/dbraw/zinc/20/48/62/387204862.db2.gz MSFPKZSRYXODAP-GHMZBOCLSA-N 2 1 243.351 -0.240 20 0 BBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C[NH3+])OC)C1 ZINC000353448499 387204363 /nfs/dbraw/zinc/20/43/63/387204363.db2.gz MSFPKZSRYXODAP-MNOVXSKESA-N 2 1 243.351 -0.240 20 0 BBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C[NH3+])OC)C1 ZINC000353448500 387204517 /nfs/dbraw/zinc/20/45/17/387204517.db2.gz MSFPKZSRYXODAP-QWRGUYRKSA-N 2 1 243.351 -0.240 20 0 BBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C[NH3+])OC)C1 ZINC000353448502 387198991 /nfs/dbraw/zinc/19/89/91/387198991.db2.gz MSFPKZSRYXODAP-WDEREUQCSA-N 2 1 243.351 -0.240 20 0 BBADMP CO[C@H](C[NH3+])C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000353451007 385650261 /nfs/dbraw/zinc/65/02/61/385650261.db2.gz PDTIKQUBJKJQLA-GHMZBOCLSA-N 2 1 243.351 -0.049 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000353451018 385649874 /nfs/dbraw/zinc/64/98/74/385649874.db2.gz PDTIKQUBJKJQLA-MNOVXSKESA-N 2 1 243.351 -0.049 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000353451020 385649665 /nfs/dbraw/zinc/64/96/65/385649665.db2.gz PDTIKQUBJKJQLA-QWRGUYRKSA-N 2 1 243.351 -0.049 20 0 BBADMP CO[C@H](C[NH3+])C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000353451023 385650643 /nfs/dbraw/zinc/65/06/43/385650643.db2.gz PDTIKQUBJKJQLA-WDEREUQCSA-N 2 1 243.351 -0.049 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)NCCCn1cc[nH+]c1C ZINC000353455514 134163784 /nfs/dbraw/zinc/16/37/84/134163784.db2.gz XVFCTGUAKMCYMS-JTQLQIEISA-N 2 1 240.307 -0.328 20 0 BBADMP CO[C@H](C[NH3+])C(=O)NCCCn1cc[nH+]c1C ZINC000353455515 536559126 /nfs/dbraw/zinc/55/91/26/536559126.db2.gz XVFCTGUAKMCYMS-SNVBAGLBSA-N 2 1 240.307 -0.328 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000353460167 174859512 /nfs/dbraw/zinc/85/95/12/174859512.db2.gz OGWHINHIFWAYBQ-ATZCPNFKSA-N 2 1 241.335 -0.299 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000353460168 387206542 /nfs/dbraw/zinc/20/65/42/387206542.db2.gz OGWHINHIFWAYBQ-FXPVBKGRSA-N 2 1 241.335 -0.299 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000353460170 387207937 /nfs/dbraw/zinc/20/79/37/387207937.db2.gz OGWHINHIFWAYBQ-IQJOONFLSA-N 2 1 241.335 -0.299 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000353460171 174859896 /nfs/dbraw/zinc/85/98/96/174859896.db2.gz OGWHINHIFWAYBQ-WCABBAIRSA-N 2 1 241.335 -0.299 20 0 BBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C[NH3+])OC ZINC000353460547 398328785 /nfs/dbraw/zinc/32/87/85/398328785.db2.gz OZOCPXSWIITPRX-GHMZBOCLSA-N 2 1 243.351 -0.049 20 0 BBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C[NH3+])OC ZINC000353460548 398328734 /nfs/dbraw/zinc/32/87/34/398328734.db2.gz OZOCPXSWIITPRX-MNOVXSKESA-N 2 1 243.351 -0.049 20 0 BBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C[NH3+])OC ZINC000353460549 398328747 /nfs/dbraw/zinc/32/87/47/398328747.db2.gz OZOCPXSWIITPRX-QWRGUYRKSA-N 2 1 243.351 -0.049 20 0 BBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C[NH3+])OC ZINC000353460550 387206619 /nfs/dbraw/zinc/20/66/19/387206619.db2.gz OZOCPXSWIITPRX-WDEREUQCSA-N 2 1 243.351 -0.049 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000353462900 387208135 /nfs/dbraw/zinc/20/81/35/387208135.db2.gz UJEFELRCASVQLM-DVVUODLYSA-N 2 1 241.335 -0.441 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000353462903 174859586 /nfs/dbraw/zinc/85/95/86/174859586.db2.gz UJEFELRCASVQLM-FBIMIBRVSA-N 2 1 241.335 -0.441 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000353462905 387206649 /nfs/dbraw/zinc/20/66/49/387206649.db2.gz UJEFELRCASVQLM-INTQDDNPSA-N 2 1 241.335 -0.441 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000353462907 387208563 /nfs/dbraw/zinc/20/85/63/387208563.db2.gz UJEFELRCASVQLM-JMJZKYOTSA-N 2 1 241.335 -0.441 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000353463112 387206928 /nfs/dbraw/zinc/20/69/28/387206928.db2.gz VILAFIWFLHBNHR-GHMZBOCLSA-N 2 1 241.335 -0.345 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000353463114 387207155 /nfs/dbraw/zinc/20/71/55/387207155.db2.gz VILAFIWFLHBNHR-MNOVXSKESA-N 2 1 241.335 -0.345 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000353463116 387208591 /nfs/dbraw/zinc/20/85/91/387208591.db2.gz VILAFIWFLHBNHR-QWRGUYRKSA-N 2 1 241.335 -0.345 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000353463118 387208477 /nfs/dbraw/zinc/20/84/77/387208477.db2.gz VILAFIWFLHBNHR-WDEREUQCSA-N 2 1 241.335 -0.345 20 0 BBADMP COCCC[N@@H+](C)CCNC(=O)[C@H](C[NH3+])OC ZINC000353464911 174215840 /nfs/dbraw/zinc/21/58/40/174215840.db2.gz YZKQWGQJXSFHBP-JTQLQIEISA-N 2 1 247.339 -0.955 20 0 BBADMP COCCC[N@@H+](C)CCNC(=O)[C@@H](C[NH3+])OC ZINC000353464914 174216050 /nfs/dbraw/zinc/21/60/50/174216050.db2.gz YZKQWGQJXSFHBP-SNVBAGLBSA-N 2 1 247.339 -0.955 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000353466794 387202832 /nfs/dbraw/zinc/20/28/32/387202832.db2.gz JKXACIZNUXBRAV-GARJFASQSA-N 2 1 243.351 -0.099 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000353466795 387203155 /nfs/dbraw/zinc/20/31/55/387203155.db2.gz JKXACIZNUXBRAV-GMTAPVOTSA-N 2 1 243.351 -0.099 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000353466796 387201608 /nfs/dbraw/zinc/20/16/08/387201608.db2.gz JKXACIZNUXBRAV-HBNTYKKESA-N 2 1 243.351 -0.099 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000353466797 387202474 /nfs/dbraw/zinc/20/24/74/387202474.db2.gz JKXACIZNUXBRAV-OUAUKWLOSA-N 2 1 243.351 -0.099 20 0 BBADMP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000353578233 386111945 /nfs/dbraw/zinc/11/19/45/386111945.db2.gz IFFPABJBFHAKNS-QWRGUYRKSA-N 2 1 243.351 -0.049 20 0 BBADMP CCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000353578235 169392158 /nfs/dbraw/zinc/39/21/58/169392158.db2.gz IFFPABJBFHAKNS-WDEREUQCSA-N 2 1 243.351 -0.049 20 0 BBADMP CC[N@@H+](CCNC(=O)[C@H]([NH3+])CC(N)=O)C(C)C ZINC000353583319 387236279 /nfs/dbraw/zinc/23/62/79/387236279.db2.gz UYQLTGXXZJRVRZ-SECBINFHSA-N 2 1 244.339 -0.964 20 0 BBADMP CC[N@H+](CCNC(=O)[C@H]([NH3+])CC(N)=O)C(C)C ZINC000353583319 387236276 /nfs/dbraw/zinc/23/62/76/387236276.db2.gz UYQLTGXXZJRVRZ-SECBINFHSA-N 2 1 244.339 -0.964 20 0 BBADMP CC[N@@H+](CCNC(=O)[C@@H]([NH3+])CC(N)=O)C(C)C ZINC000353583320 387235159 /nfs/dbraw/zinc/23/51/59/387235159.db2.gz UYQLTGXXZJRVRZ-VIFPVBQESA-N 2 1 244.339 -0.964 20 0 BBADMP CC[N@H+](CCNC(=O)[C@@H]([NH3+])CC(N)=O)C(C)C ZINC000353583320 387235153 /nfs/dbraw/zinc/23/51/53/387235153.db2.gz UYQLTGXXZJRVRZ-VIFPVBQESA-N 2 1 244.339 -0.964 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])C(C)C)C1 ZINC000353584195 174311427 /nfs/dbraw/zinc/31/14/27/174311427.db2.gz YOIFVECYTMOCFS-GHMZBOCLSA-N 2 1 243.351 -0.193 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000353584196 174311608 /nfs/dbraw/zinc/31/16/08/174311608.db2.gz YOIFVECYTMOCFS-MNOVXSKESA-N 2 1 243.351 -0.193 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000353584197 174314192 /nfs/dbraw/zinc/31/41/92/174314192.db2.gz YOIFVECYTMOCFS-QWRGUYRKSA-N 2 1 243.351 -0.193 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])C(C)C)C1 ZINC000353584198 174314649 /nfs/dbraw/zinc/31/46/49/174314649.db2.gz YOIFVECYTMOCFS-WDEREUQCSA-N 2 1 243.351 -0.193 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC(=O)C2([NH3+])CC2)C1 ZINC000353584203 174311458 /nfs/dbraw/zinc/31/14/58/174311458.db2.gz YRDHUDADCWMARO-SECBINFHSA-N 2 1 227.308 -0.685 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)C2([NH3+])CC2)C1 ZINC000353584204 174314929 /nfs/dbraw/zinc/31/49/29/174314929.db2.gz YRDHUDADCWMARO-VIFPVBQESA-N 2 1 227.308 -0.685 20 0 BBADMP CCCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])CC(N)=O ZINC000353641571 387246315 /nfs/dbraw/zinc/24/63/15/387246315.db2.gz FOPMORMAOGEUCK-SECBINFHSA-N 2 1 244.339 -0.963 20 0 BBADMP CCCC[N@H+](C)CCNC(=O)[C@H]([NH3+])CC(N)=O ZINC000353641571 387246309 /nfs/dbraw/zinc/24/63/09/387246309.db2.gz FOPMORMAOGEUCK-SECBINFHSA-N 2 1 244.339 -0.963 20 0 BBADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353641572 387245233 /nfs/dbraw/zinc/24/52/33/387245233.db2.gz FOPMORMAOGEUCK-VIFPVBQESA-N 2 1 244.339 -0.963 20 0 BBADMP CCCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353641572 387245225 /nfs/dbraw/zinc/24/52/25/387245225.db2.gz FOPMORMAOGEUCK-VIFPVBQESA-N 2 1 244.339 -0.963 20 0 BBADMP C[C@H]([NH3+])C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000353702299 387261445 /nfs/dbraw/zinc/26/14/45/387261445.db2.gz KAKCOBRDLCSVOK-ZETCQYMHSA-N 2 1 225.296 -0.551 20 0 BBADMP CN(C)c1[nH+]cc(CNC(=O)C2([NH3+])CC2)n1C ZINC000353718019 387263997 /nfs/dbraw/zinc/26/39/97/387263997.db2.gz QJNHXWVPYOBCNT-UHFFFAOYSA-N 2 1 237.307 -0.406 20 0 BBADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])COC ZINC000354067747 174216457 /nfs/dbraw/zinc/21/64/57/174216457.db2.gz FSUFUGFCKJDQRW-JTQLQIEISA-N 2 1 247.339 -0.955 20 0 BBADMP COCCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])COC ZINC000354067748 174216258 /nfs/dbraw/zinc/21/62/58/174216258.db2.gz FSUFUGFCKJDQRW-SNVBAGLBSA-N 2 1 247.339 -0.955 20 0 BBADMP CC[N@@H+](CCNC(=O)[C@@H]([NH3+])COC)C(C)C ZINC000354067842 387324556 /nfs/dbraw/zinc/32/45/56/387324556.db2.gz HCVLWPLBLFWLBD-JTQLQIEISA-N 2 1 231.340 -0.193 20 0 BBADMP CC[N@@H+](CCNC(=O)[C@H]([NH3+])COC)C(C)C ZINC000354067843 387324479 /nfs/dbraw/zinc/32/44/79/387324479.db2.gz HCVLWPLBLFWLBD-SNVBAGLBSA-N 2 1 231.340 -0.193 20 0 BBADMP COC[C@H]([NH3+])C(=O)NCCCn1cc[nH+]c1C ZINC000354068479 387324164 /nfs/dbraw/zinc/32/41/64/387324164.db2.gz PBHGAULBFWMAJB-JTQLQIEISA-N 2 1 240.307 -0.328 20 0 BBADMP COC[C@@H]([NH3+])C(=O)NCCCn1cc[nH+]c1C ZINC000354068480 387323866 /nfs/dbraw/zinc/32/38/66/387323866.db2.gz PBHGAULBFWMAJB-SNVBAGLBSA-N 2 1 240.307 -0.328 20 0 BBADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])COC ZINC000354068731 387325804 /nfs/dbraw/zinc/32/58/04/387325804.db2.gz RUHHVDXPCVOXEE-JTQLQIEISA-N 2 1 231.340 -0.192 20 0 BBADMP CCCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])COC ZINC000354068732 387325295 /nfs/dbraw/zinc/32/52/95/387325295.db2.gz RUHHVDXPCVOXEE-SNVBAGLBSA-N 2 1 231.340 -0.192 20 0 BBADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]([NH3+])COC ZINC000354069128 174276037 /nfs/dbraw/zinc/27/60/37/174276037.db2.gz XWQKANTTXSJMCK-JTQLQIEISA-N 2 1 247.339 -0.955 20 0 BBADMP COCC[N@@H+](C)CCCNC(=O)[C@H]([NH3+])COC ZINC000354069129 174276185 /nfs/dbraw/zinc/27/61/85/174276185.db2.gz XWQKANTTXSJMCK-SNVBAGLBSA-N 2 1 247.339 -0.955 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH+](C)C)C1 ZINC000354492131 170003361 /nfs/dbraw/zinc/00/33/61/170003361.db2.gz KYTJNSJBFVUKRA-LLVKDONJSA-N 2 1 243.351 -0.273 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH+](C)C)C1 ZINC000354492131 170003360 /nfs/dbraw/zinc/00/33/60/170003360.db2.gz KYTJNSJBFVUKRA-LLVKDONJSA-N 2 1 243.351 -0.273 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH+](C)C)C1 ZINC000354492161 170004325 /nfs/dbraw/zinc/00/43/25/170004325.db2.gz KYTJNSJBFVUKRA-NSHDSACASA-N 2 1 243.351 -0.273 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH+](C)C)C1 ZINC000354492161 170004324 /nfs/dbraw/zinc/00/43/24/170004324.db2.gz KYTJNSJBFVUKRA-NSHDSACASA-N 2 1 243.351 -0.273 20 0 BBADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH+](C)C ZINC000355705607 387570195 /nfs/dbraw/zinc/57/01/95/387570195.db2.gz NBUNGPURZGPFAH-GHMZBOCLSA-N 2 1 243.351 -0.369 20 0 BBADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH+](C)C ZINC000355705607 387570192 /nfs/dbraw/zinc/57/01/92/387570192.db2.gz NBUNGPURZGPFAH-GHMZBOCLSA-N 2 1 243.351 -0.369 20 0 BBADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH+](C)C ZINC000355705608 387569862 /nfs/dbraw/zinc/56/98/62/387569862.db2.gz NBUNGPURZGPFAH-MNOVXSKESA-N 2 1 243.351 -0.369 20 0 BBADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH+](C)C ZINC000355705608 387569859 /nfs/dbraw/zinc/56/98/59/387569859.db2.gz NBUNGPURZGPFAH-MNOVXSKESA-N 2 1 243.351 -0.369 20 0 BBADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH+](C)C ZINC000355705609 387570275 /nfs/dbraw/zinc/57/02/75/387570275.db2.gz NBUNGPURZGPFAH-QWRGUYRKSA-N 2 1 243.351 -0.369 20 0 BBADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH+](C)C ZINC000355705609 387570273 /nfs/dbraw/zinc/57/02/73/387570273.db2.gz NBUNGPURZGPFAH-QWRGUYRKSA-N 2 1 243.351 -0.369 20 0 BBADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH+](C)C ZINC000355705610 387570248 /nfs/dbraw/zinc/57/02/48/387570248.db2.gz NBUNGPURZGPFAH-WDEREUQCSA-N 2 1 243.351 -0.369 20 0 BBADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH+](C)C ZINC000355705610 387570245 /nfs/dbraw/zinc/57/02/45/387570245.db2.gz NBUNGPURZGPFAH-WDEREUQCSA-N 2 1 243.351 -0.369 20 0 BBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000357038635 172383242 /nfs/dbraw/zinc/38/32/42/172383242.db2.gz ZOHHHXIHOIJQDN-JTQLQIEISA-N 2 1 229.324 -0.486 20 0 BBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000357038638 172386214 /nfs/dbraw/zinc/38/62/14/172386214.db2.gz ZOHHHXIHOIJQDN-SNVBAGLBSA-N 2 1 229.324 -0.486 20 0 BBADMP CC(=O)NC[C@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000357068993 386707125 /nfs/dbraw/zinc/70/71/25/386707125.db2.gz DYJLYXCECVGJIV-GFCCVEGCSA-N 2 1 243.351 -0.190 20 0 BBADMP CC(=O)NC[C@@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000357068994 386708516 /nfs/dbraw/zinc/70/85/16/386708516.db2.gz DYJLYXCECVGJIV-LBPRGKRZSA-N 2 1 243.351 -0.190 20 0 BBADMP CC(C)[C@H]1C(=O)NCC[N@@H+]1CCOCC[NH3+] ZINC000357070364 386712770 /nfs/dbraw/zinc/71/27/70/386712770.db2.gz AXTTZZZMORSUTQ-JTQLQIEISA-N 2 1 229.324 -0.582 20 0 BBADMP CC(C)[C@H]1C(=O)NCC[N@H+]1CCOCC[NH3+] ZINC000357070364 386712764 /nfs/dbraw/zinc/71/27/64/386712764.db2.gz AXTTZZZMORSUTQ-JTQLQIEISA-N 2 1 229.324 -0.582 20 0 BBADMP CC(C)[C@@H]1C(=O)NCC[N@@H+]1CCOCC[NH3+] ZINC000357070366 386704804 /nfs/dbraw/zinc/70/48/04/386704804.db2.gz AXTTZZZMORSUTQ-SNVBAGLBSA-N 2 1 229.324 -0.582 20 0 BBADMP CC(C)[C@@H]1C(=O)NCC[N@H+]1CCOCC[NH3+] ZINC000357070366 386704801 /nfs/dbraw/zinc/70/48/01/386704801.db2.gz AXTTZZZMORSUTQ-SNVBAGLBSA-N 2 1 229.324 -0.582 20 0 BBADMP [NH3+]CCOCC[NH+]1CCN(CC(F)F)CC1 ZINC000357071164 386711308 /nfs/dbraw/zinc/71/13/08/386711308.db2.gz GIEZZXNRCMSHMF-UHFFFAOYSA-N 2 1 237.294 -0.156 20 0 BBADMP [NH3+]CCOCC[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000357071927 187377061 /nfs/dbraw/zinc/37/70/61/187377061.db2.gz COHLIDHTPRGWJT-LLVKDONJSA-N 2 1 239.323 -0.110 20 0 BBADMP [NH3+]CCOCC[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000357071928 386712007 /nfs/dbraw/zinc/71/20/07/386712007.db2.gz COHLIDHTPRGWJT-NSHDSACASA-N 2 1 239.323 -0.110 20 0 BBADMP CCOCCN1CC[NH+](CCOCC[NH3+])CC1 ZINC000357073191 170399177 /nfs/dbraw/zinc/39/91/77/170399177.db2.gz DSSQVCBOGPFZBU-UHFFFAOYSA-N 2 1 245.367 -0.384 20 0 BBADMP COCCOC[C@@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000357075549 174362169 /nfs/dbraw/zinc/36/21/69/174362169.db2.gz NPKFDRXLWUCXOI-GFCCVEGCSA-N 2 1 246.351 -0.053 20 0 BBADMP COCCOC[C@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000357075551 174364490 /nfs/dbraw/zinc/36/44/90/174364490.db2.gz NPKFDRXLWUCXOI-LBPRGKRZSA-N 2 1 246.351 -0.053 20 0 BBADMP NC(=O)C[C@@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000357076179 187377458 /nfs/dbraw/zinc/37/74/58/187377458.db2.gz IDMXRQIFUDGSMA-JTQLQIEISA-N 2 1 229.324 -0.451 20 0 BBADMP NC(=O)C[C@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000357076180 386711339 /nfs/dbraw/zinc/71/13/39/386711339.db2.gz IDMXRQIFUDGSMA-SNVBAGLBSA-N 2 1 229.324 -0.451 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000357077231 188065976 /nfs/dbraw/zinc/06/59/76/188065976.db2.gz AHJUDOMMHKNAOD-GHMZBOCLSA-N 2 1 241.335 -0.295 20 0 BBADMP [NH3+]CCOCC[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000357077231 188065974 /nfs/dbraw/zinc/06/59/74/188065974.db2.gz AHJUDOMMHKNAOD-GHMZBOCLSA-N 2 1 241.335 -0.295 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000357077235 386712138 /nfs/dbraw/zinc/71/21/38/386712138.db2.gz AHJUDOMMHKNAOD-MNOVXSKESA-N 2 1 241.335 -0.295 20 0 BBADMP [NH3+]CCOCC[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000357077235 386712129 /nfs/dbraw/zinc/71/21/29/386712129.db2.gz AHJUDOMMHKNAOD-MNOVXSKESA-N 2 1 241.335 -0.295 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000357077236 386709944 /nfs/dbraw/zinc/70/99/44/386709944.db2.gz AHJUDOMMHKNAOD-QWRGUYRKSA-N 2 1 241.335 -0.295 20 0 BBADMP [NH3+]CCOCC[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000357077236 386709938 /nfs/dbraw/zinc/70/99/38/386709938.db2.gz AHJUDOMMHKNAOD-QWRGUYRKSA-N 2 1 241.335 -0.295 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000357077237 386712387 /nfs/dbraw/zinc/71/23/87/386712387.db2.gz AHJUDOMMHKNAOD-WDEREUQCSA-N 2 1 241.335 -0.295 20 0 BBADMP [NH3+]CCOCC[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000357077237 386712378 /nfs/dbraw/zinc/71/23/78/386712378.db2.gz AHJUDOMMHKNAOD-WDEREUQCSA-N 2 1 241.335 -0.295 20 0 BBADMP CC(=O)N[C@@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000357079433 187377515 /nfs/dbraw/zinc/37/75/15/187377515.db2.gz SKRPQBZKHCABOW-LLVKDONJSA-N 2 1 229.324 -0.438 20 0 BBADMP CC(=O)N[C@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000357079434 386709771 /nfs/dbraw/zinc/70/97/71/386709771.db2.gz SKRPQBZKHCABOW-NSHDSACASA-N 2 1 229.324 -0.438 20 0 BBADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000357079498 187212975 /nfs/dbraw/zinc/21/29/75/187212975.db2.gz MEQGGZVJHSLQSZ-LLVKDONJSA-N 2 1 241.335 -0.295 20 0 BBADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000357079499 386710869 /nfs/dbraw/zinc/71/08/69/386710869.db2.gz MEQGGZVJHSLQSZ-NSHDSACASA-N 2 1 241.335 -0.295 20 0 BBADMP COCCN1CC[NH+](CCOCC[NH3+])CC1 ZINC000357079796 174309858 /nfs/dbraw/zinc/30/98/58/174309858.db2.gz LNRLITMVZATBRS-UHFFFAOYSA-N 2 1 231.340 -0.774 20 0 BBADMP NC(=O)C[C@@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000357080338 386710831 /nfs/dbraw/zinc/71/08/31/386710831.db2.gz LTDFDKMICGNWJT-JTQLQIEISA-N 2 1 229.324 -0.308 20 0 BBADMP NC(=O)C[C@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000357080339 187377267 /nfs/dbraw/zinc/37/72/67/187377267.db2.gz LTDFDKMICGNWJT-SNVBAGLBSA-N 2 1 229.324 -0.308 20 0 BBADMP COCCN1CC[N@@H+](CCOCC[NH3+])C[C@H]1C ZINC000357082233 174310024 /nfs/dbraw/zinc/31/00/24/174310024.db2.gz OXEYEMBUVQTECA-GFCCVEGCSA-N 2 1 245.367 -0.386 20 0 BBADMP COCCN1CC[N@H+](CCOCC[NH3+])C[C@H]1C ZINC000357082233 174310022 /nfs/dbraw/zinc/31/00/22/174310022.db2.gz OXEYEMBUVQTECA-GFCCVEGCSA-N 2 1 245.367 -0.386 20 0 BBADMP COCC[N@H+]1CCN(CCOCC[NH3+])C[C@H]1C ZINC000357082233 174310020 /nfs/dbraw/zinc/31/00/20/174310020.db2.gz OXEYEMBUVQTECA-GFCCVEGCSA-N 2 1 245.367 -0.386 20 0 BBADMP COCCN1CC[N@@H+](CCOCC[NH3+])C[C@@H]1C ZINC000357082234 174310542 /nfs/dbraw/zinc/31/05/42/174310542.db2.gz OXEYEMBUVQTECA-LBPRGKRZSA-N 2 1 245.367 -0.386 20 0 BBADMP COCCN1CC[N@H+](CCOCC[NH3+])C[C@@H]1C ZINC000357082234 174310541 /nfs/dbraw/zinc/31/05/41/174310541.db2.gz OXEYEMBUVQTECA-LBPRGKRZSA-N 2 1 245.367 -0.386 20 0 BBADMP COCC[N@H+]1CCN(CCOCC[NH3+])C[C@@H]1C ZINC000357082234 174310539 /nfs/dbraw/zinc/31/05/39/174310539.db2.gz OXEYEMBUVQTECA-LBPRGKRZSA-N 2 1 245.367 -0.386 20 0 BBADMP C[C@H](O)CN1CC[N@@H+](CCOCC[NH3+])C[C@H]1C ZINC000357085364 386715650 /nfs/dbraw/zinc/71/56/50/386715650.db2.gz SOPDPPIOIDKTRF-NEPJUHHUSA-N 2 1 245.367 -0.651 20 0 BBADMP C[C@H](O)CN1CC[N@H+](CCOCC[NH3+])C[C@H]1C ZINC000357085364 386715646 /nfs/dbraw/zinc/71/56/46/386715646.db2.gz SOPDPPIOIDKTRF-NEPJUHHUSA-N 2 1 245.367 -0.651 20 0 BBADMP C[C@H](O)C[N@H+]1CCN(CCOCC[NH3+])C[C@H]1C ZINC000357085364 386715639 /nfs/dbraw/zinc/71/56/39/386715639.db2.gz SOPDPPIOIDKTRF-NEPJUHHUSA-N 2 1 245.367 -0.651 20 0 BBADMP C[C@@H](O)CN1CC[N@@H+](CCOCC[NH3+])C[C@@H]1C ZINC000357085365 177252885 /nfs/dbraw/zinc/25/28/85/177252885.db2.gz SOPDPPIOIDKTRF-NWDGAFQWSA-N 2 1 245.367 -0.651 20 0 BBADMP C[C@@H](O)CN1CC[N@H+](CCOCC[NH3+])C[C@@H]1C ZINC000357085365 177252882 /nfs/dbraw/zinc/25/28/82/177252882.db2.gz SOPDPPIOIDKTRF-NWDGAFQWSA-N 2 1 245.367 -0.651 20 0 BBADMP C[C@@H](O)C[N@H+]1CCN(CCOCC[NH3+])C[C@@H]1C ZINC000357085365 177252880 /nfs/dbraw/zinc/25/28/80/177252880.db2.gz SOPDPPIOIDKTRF-NWDGAFQWSA-N 2 1 245.367 -0.651 20 0 BBADMP C[C@H](O)CN1CC[N@@H+](CCOCC[NH3+])C[C@@H]1C ZINC000357085366 386714358 /nfs/dbraw/zinc/71/43/58/386714358.db2.gz SOPDPPIOIDKTRF-RYUDHWBXSA-N 2 1 245.367 -0.651 20 0 BBADMP C[C@H](O)CN1CC[N@H+](CCOCC[NH3+])C[C@@H]1C ZINC000357085366 386714353 /nfs/dbraw/zinc/71/43/53/386714353.db2.gz SOPDPPIOIDKTRF-RYUDHWBXSA-N 2 1 245.367 -0.651 20 0 BBADMP C[C@H](O)C[N@H+]1CCN(CCOCC[NH3+])C[C@@H]1C ZINC000357085366 386714345 /nfs/dbraw/zinc/71/43/45/386714345.db2.gz SOPDPPIOIDKTRF-RYUDHWBXSA-N 2 1 245.367 -0.651 20 0 BBADMP C[C@@H](O)CN1CC[N@@H+](CCOCC[NH3+])C[C@H]1C ZINC000357085368 386714564 /nfs/dbraw/zinc/71/45/64/386714564.db2.gz SOPDPPIOIDKTRF-VXGBXAGGSA-N 2 1 245.367 -0.651 20 0 BBADMP C[C@@H](O)CN1CC[N@H+](CCOCC[NH3+])C[C@H]1C ZINC000357085368 386714560 /nfs/dbraw/zinc/71/45/60/386714560.db2.gz SOPDPPIOIDKTRF-VXGBXAGGSA-N 2 1 245.367 -0.651 20 0 BBADMP C[C@@H](O)C[N@H+]1CCN(CCOCC[NH3+])C[C@H]1C ZINC000357085368 386714553 /nfs/dbraw/zinc/71/45/53/386714553.db2.gz SOPDPPIOIDKTRF-VXGBXAGGSA-N 2 1 245.367 -0.651 20 0 BBADMP NC(=O)CC[C@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000357089304 187213842 /nfs/dbraw/zinc/21/38/42/187213842.db2.gz PKWDGTNHDCEFOT-LLVKDONJSA-N 2 1 243.351 -0.061 20 0 BBADMP NC(=O)CC[C@@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000357089305 187377192 /nfs/dbraw/zinc/37/71/92/187377192.db2.gz PKWDGTNHDCEFOT-NSHDSACASA-N 2 1 243.351 -0.061 20 0 BBADMP C[N@@H+](CCOCC[NH3+])Cc1cnccn1 ZINC000357089587 386715677 /nfs/dbraw/zinc/71/56/77/386715677.db2.gz UPIGHKWXTNBLJZ-UHFFFAOYSA-N 2 1 210.281 -0.116 20 0 BBADMP C[N@H+](CCOCC[NH3+])Cc1cnccn1 ZINC000357089587 386715674 /nfs/dbraw/zinc/71/56/74/386715674.db2.gz UPIGHKWXTNBLJZ-UHFFFAOYSA-N 2 1 210.281 -0.116 20 0 BBADMP [NH3+]CCOCC[N@H+]1CCc2cncnc2C1 ZINC000357091656 181398934 /nfs/dbraw/zinc/39/89/34/181398934.db2.gz TXWNXFDVDJIPCK-UHFFFAOYSA-N 2 1 222.292 -0.190 20 0 BBADMP [NH3+]CCOCC[N@@H+]1CCc2cncnc2C1 ZINC000357091656 181398932 /nfs/dbraw/zinc/39/89/32/181398932.db2.gz TXWNXFDVDJIPCK-UHFFFAOYSA-N 2 1 222.292 -0.190 20 0 BBADMP [NH3+]CCOCC[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000357093440 386715570 /nfs/dbraw/zinc/71/55/70/386715570.db2.gz YKXANWSOWDCLDH-GFCCVEGCSA-N 2 1 241.335 -0.436 20 0 BBADMP [NH3+]CCOCC[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000357093442 188066100 /nfs/dbraw/zinc/06/61/00/188066100.db2.gz YKXANWSOWDCLDH-LBPRGKRZSA-N 2 1 241.335 -0.436 20 0 BBADMP CN(CCC[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000357098322 386718576 /nfs/dbraw/zinc/71/85/76/386718576.db2.gz AOLYAOUGXOWQEW-UHFFFAOYSA-N 2 1 213.325 -0.388 20 0 BBADMP CCC(=O)N[C@@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000357098346 168238239 /nfs/dbraw/zinc/23/82/39/168238239.db2.gz ASEJOINDPIJOJC-LLVKDONJSA-N 2 1 243.351 -0.048 20 0 BBADMP CCC(=O)N[C@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000357098348 168240353 /nfs/dbraw/zinc/24/03/53/168240353.db2.gz ASEJOINDPIJOJC-NSHDSACASA-N 2 1 243.351 -0.048 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000357103909 181399376 /nfs/dbraw/zinc/39/93/76/181399376.db2.gz LOHWAMMNGPHVPS-MRVPVSSYSA-N 2 1 242.241 -0.039 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000357103913 386717207 /nfs/dbraw/zinc/71/72/07/386717207.db2.gz LOHWAMMNGPHVPS-QMMMGPOBSA-N 2 1 242.241 -0.039 20 0 BBADMP C[NH2+]CCC(=O)NCCC[N@@H+](C)CCOC ZINC000357169015 173340312 /nfs/dbraw/zinc/34/03/12/173340312.db2.gz BRWFSUXAKZGTTI-UHFFFAOYSA-N 2 1 231.340 -0.320 20 0 BBADMP C[C@H](CNC(=O)[C@H](C)C[NH3+])C[NH+]1CCOCC1 ZINC000357171243 386732153 /nfs/dbraw/zinc/73/21/53/386732153.db2.gz ATUMWUXMCNITEQ-GHMZBOCLSA-N 2 1 243.351 -0.334 20 0 BBADMP C[C@H](CNC(=O)[C@@H](C)C[NH3+])C[NH+]1CCOCC1 ZINC000357171245 175705598 /nfs/dbraw/zinc/70/55/98/175705598.db2.gz ATUMWUXMCNITEQ-MNOVXSKESA-N 2 1 243.351 -0.334 20 0 BBADMP C[C@@H](CNC(=O)[C@@H](C)C[NH3+])C[NH+]1CCOCC1 ZINC000357171248 386730907 /nfs/dbraw/zinc/73/09/07/386730907.db2.gz ATUMWUXMCNITEQ-QWRGUYRKSA-N 2 1 243.351 -0.334 20 0 BBADMP C[C@H](C[NH3+])C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000357171251 386731151 /nfs/dbraw/zinc/73/11/51/386731151.db2.gz ATUMWUXMCNITEQ-WDEREUQCSA-N 2 1 243.351 -0.334 20 0 BBADMP COCC[N@@H+](C)CCCNC(=O)[C@@H](C)C[NH3+] ZINC000357178977 174275128 /nfs/dbraw/zinc/27/51/28/174275128.db2.gz SSCHVOSXWWSSDW-JTQLQIEISA-N 2 1 231.340 -0.334 20 0 BBADMP COCC[N@@H+](C)CCCNC(=O)[C@H](C)C[NH3+] ZINC000357178978 174275818 /nfs/dbraw/zinc/27/58/18/174275818.db2.gz SSCHVOSXWWSSDW-SNVBAGLBSA-N 2 1 231.340 -0.334 20 0 BBADMP C[NH2+]CCC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000357197526 173340864 /nfs/dbraw/zinc/34/08/64/173340864.db2.gz GAZIKLRCMGCXQA-LLVKDONJSA-N 2 1 243.351 -0.320 20 0 BBADMP C[NH2+]CCC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000357197528 173341129 /nfs/dbraw/zinc/34/11/29/173341129.db2.gz GAZIKLRCMGCXQA-NSHDSACASA-N 2 1 243.351 -0.320 20 0 BBADMP C[NH2+][C@H](C(=O)NCC[NH+](C)C)c1cnn(C)c1 ZINC000357236376 386746381 /nfs/dbraw/zinc/74/63/81/386746381.db2.gz FCOGKJAMXODBAT-JTQLQIEISA-N 2 1 239.323 -0.642 20 0 BBADMP C[NH2+][C@@H](C(=O)NCC[NH+](C)C)c1cnn(C)c1 ZINC000357236379 386744625 /nfs/dbraw/zinc/74/46/25/386744625.db2.gz FCOGKJAMXODBAT-SNVBAGLBSA-N 2 1 239.323 -0.642 20 0 BBADMP C[NH2+]CCC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000357236559 173341730 /nfs/dbraw/zinc/34/17/30/173341730.db2.gz FOLKPENULOUOFT-JTQLQIEISA-N 2 1 229.324 -0.567 20 0 BBADMP C[NH2+]CCC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000357236560 173341487 /nfs/dbraw/zinc/34/14/87/173341487.db2.gz FOLKPENULOUOFT-SNVBAGLBSA-N 2 1 229.324 -0.567 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)C[NH3+])C1 ZINC000357244598 174312394 /nfs/dbraw/zinc/31/23/94/174312394.db2.gz SXUBHEPXFVEPEI-NXEZZACHSA-N 2 1 229.324 -0.582 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH3+])C1 ZINC000357244930 174314994 /nfs/dbraw/zinc/31/49/94/174314994.db2.gz SXUBHEPXFVEPEI-UWVGGRQHSA-N 2 1 229.324 -0.582 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)C[NH3+])C1 ZINC000357244932 174312411 /nfs/dbraw/zinc/31/24/11/174312411.db2.gz SXUBHEPXFVEPEI-VHSXEESVSA-N 2 1 229.324 -0.582 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H](C)C[NH3+])C1 ZINC000357244933 174314837 /nfs/dbraw/zinc/31/48/37/174314837.db2.gz SXUBHEPXFVEPEI-ZJUUUORDSA-N 2 1 229.324 -0.582 20 0 BBADMP COC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000357248577 386746073 /nfs/dbraw/zinc/74/60/73/386746073.db2.gz QTAQMGJUQFBFNJ-KKZNHRDASA-N 2 1 241.335 -0.299 20 0 BBADMP COC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000357248578 386745982 /nfs/dbraw/zinc/74/59/82/386745982.db2.gz QTAQMGJUQFBFNJ-NGZCFLSTSA-N 2 1 241.335 -0.299 20 0 BBADMP COC[C@H]([NH3+])C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000357248579 386743927 /nfs/dbraw/zinc/74/39/27/386743927.db2.gz QTAQMGJUQFBFNJ-QXEWZRGKSA-N 2 1 241.335 -0.299 20 0 BBADMP COC[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000357248580 386744514 /nfs/dbraw/zinc/74/45/14/386744514.db2.gz QTAQMGJUQFBFNJ-YWVKMMECSA-N 2 1 241.335 -0.299 20 0 BBADMP COCCC[N@@H+](C)CCNC(=O)[C@@H](C)C[NH3+] ZINC000357248620 174215279 /nfs/dbraw/zinc/21/52/79/174215279.db2.gz RFQYQWGTUWATOT-JTQLQIEISA-N 2 1 231.340 -0.334 20 0 BBADMP COCCC[N@@H+](C)CCNC(=O)[C@H](C)C[NH3+] ZINC000357248621 174215310 /nfs/dbraw/zinc/21/53/10/174215310.db2.gz RFQYQWGTUWATOT-SNVBAGLBSA-N 2 1 231.340 -0.334 20 0 BBADMP C[NH2+]CCC(=O)N[C@H](C)CC[NH+]1CCOCC1 ZINC000357250133 173341223 /nfs/dbraw/zinc/34/12/23/173341223.db2.gz AMHZBRZTRMHJMN-LLVKDONJSA-N 2 1 243.351 -0.177 20 0 BBADMP C[NH2+]CCC(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000357250134 173340983 /nfs/dbraw/zinc/34/09/83/173340983.db2.gz AMHZBRZTRMHJMN-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP C[NH2+]CCC(=O)NCC[N@@H+](C)CCCOC ZINC000357251431 173339878 /nfs/dbraw/zinc/33/98/78/173339878.db2.gz UWLHDXIPOSCXNX-UHFFFAOYSA-N 2 1 231.340 -0.320 20 0 BBADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@H](C)C[NH3+] ZINC000357251639 176628541 /nfs/dbraw/zinc/62/85/41/176628541.db2.gz CYWRCYZMRMNWHC-GHMZBOCLSA-N 2 1 243.351 -0.192 20 0 BBADMP C[C@H](C[NH3+])C(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000357251640 386749564 /nfs/dbraw/zinc/74/95/64/386749564.db2.gz CYWRCYZMRMNWHC-MNOVXSKESA-N 2 1 243.351 -0.192 20 0 BBADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@@H](C)C[NH3+] ZINC000357252435 386748495 /nfs/dbraw/zinc/74/84/95/386748495.db2.gz CYWRCYZMRMNWHC-QWRGUYRKSA-N 2 1 243.351 -0.192 20 0 BBADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H](C)C[NH3+] ZINC000357252437 386748478 /nfs/dbraw/zinc/74/84/78/386748478.db2.gz CYWRCYZMRMNWHC-WDEREUQCSA-N 2 1 243.351 -0.192 20 0 BBADMP COC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000357253100 386748166 /nfs/dbraw/zinc/74/81/66/386748166.db2.gz WIWLMQPLGFIUQV-GHMZBOCLSA-N 2 1 241.335 -0.345 20 0 BBADMP COC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000357253101 386748955 /nfs/dbraw/zinc/74/89/55/386748955.db2.gz WIWLMQPLGFIUQV-MNOVXSKESA-N 2 1 241.335 -0.345 20 0 BBADMP COC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000357253102 386749585 /nfs/dbraw/zinc/74/95/85/386749585.db2.gz WIWLMQPLGFIUQV-QWRGUYRKSA-N 2 1 241.335 -0.345 20 0 BBADMP COC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000357253103 386748723 /nfs/dbraw/zinc/74/87/23/386748723.db2.gz WIWLMQPLGFIUQV-WDEREUQCSA-N 2 1 241.335 -0.345 20 0 BBADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000357919150 384433701 /nfs/dbraw/zinc/43/37/01/384433701.db2.gz JQVPUQCEYCMNJE-QWRGUYRKSA-N 2 1 243.351 -0.443 20 0 BBADMP CCCC[N@@H+](C)CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000357919154 384433891 /nfs/dbraw/zinc/43/38/91/384433891.db2.gz JQVPUQCEYCMNJE-WDEREUQCSA-N 2 1 243.351 -0.443 20 0 BBADMP CC[N@@H+](CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C(C)C ZINC000357919314 386863116 /nfs/dbraw/zinc/86/31/16/386863116.db2.gz JYHGKUFCLNAOJM-GHMZBOCLSA-N 2 1 243.351 -0.444 20 0 BBADMP CC[N@@H+](CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)C(C)C ZINC000357919323 386864155 /nfs/dbraw/zinc/86/41/55/386864155.db2.gz JYHGKUFCLNAOJM-MNOVXSKESA-N 2 1 243.351 -0.444 20 0 BBADMP CC[N@@H+](CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)C(C)C ZINC000357919326 386863341 /nfs/dbraw/zinc/86/33/41/386863341.db2.gz JYHGKUFCLNAOJM-QWRGUYRKSA-N 2 1 243.351 -0.444 20 0 BBADMP CC[N@@H+](CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1)C(C)C ZINC000357919330 386863238 /nfs/dbraw/zinc/86/32/38/386863238.db2.gz JYHGKUFCLNAOJM-WDEREUQCSA-N 2 1 243.351 -0.444 20 0 BBADMP CC(C)[NH+](C)CC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358037743 188067177 /nfs/dbraw/zinc/06/71/77/188067177.db2.gz ATOUVRVKXHOHDU-GFCCVEGCSA-N 2 1 243.351 -0.491 20 0 BBADMP CC(C)[NH+](C)CC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358037743 188067175 /nfs/dbraw/zinc/06/71/75/188067175.db2.gz ATOUVRVKXHOHDU-GFCCVEGCSA-N 2 1 243.351 -0.491 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000358037743 188067174 /nfs/dbraw/zinc/06/71/74/188067174.db2.gz ATOUVRVKXHOHDU-GFCCVEGCSA-N 2 1 243.351 -0.491 20 0 BBADMP CC(C)[NH+](C)CC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358037744 386884143 /nfs/dbraw/zinc/88/41/43/386884143.db2.gz ATOUVRVKXHOHDU-LBPRGKRZSA-N 2 1 243.351 -0.491 20 0 BBADMP CC(C)[NH+](C)CC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358037744 386884137 /nfs/dbraw/zinc/88/41/37/386884137.db2.gz ATOUVRVKXHOHDU-LBPRGKRZSA-N 2 1 243.351 -0.491 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000358037744 386884134 /nfs/dbraw/zinc/88/41/34/386884134.db2.gz ATOUVRVKXHOHDU-LBPRGKRZSA-N 2 1 243.351 -0.491 20 0 BBADMP CC[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](C)C1)[NH+](C)C ZINC000358052312 386885121 /nfs/dbraw/zinc/88/51/21/386885121.db2.gz SXPRTSZWDCGDAU-CMPLNLGQSA-N 2 1 243.351 -0.491 20 0 BBADMP CC[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](C)C1)[NH+](C)C ZINC000358052313 386885686 /nfs/dbraw/zinc/88/56/86/386885686.db2.gz SXPRTSZWDCGDAU-JQWIXIFHSA-N 2 1 243.351 -0.491 20 0 BBADMP CC[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](C)C1)[NH+](C)C ZINC000358052314 171229784 /nfs/dbraw/zinc/22/97/84/171229784.db2.gz SXPRTSZWDCGDAU-PWSUYJOCSA-N 2 1 243.351 -0.491 20 0 BBADMP CC[C@H](C(=O)NC[C@]1(O)CC[N@@H+](C)C1)[NH+](C)C ZINC000358052315 171230714 /nfs/dbraw/zinc/23/07/14/171230714.db2.gz SXPRTSZWDCGDAU-ZYHUDNBSSA-N 2 1 243.351 -0.491 20 0 BBADMP CCC[NH+](C)CC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358053469 169070164 /nfs/dbraw/zinc/07/01/64/169070164.db2.gz WEODXQJTMVAWAV-LBPRGKRZSA-N 2 1 243.351 -0.489 20 0 BBADMP CCC[NH+](C)CC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358053469 169070162 /nfs/dbraw/zinc/07/01/62/169070162.db2.gz WEODXQJTMVAWAV-LBPRGKRZSA-N 2 1 243.351 -0.489 20 0 BBADMP CCC[N@@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000358053469 169070160 /nfs/dbraw/zinc/07/01/60/169070160.db2.gz WEODXQJTMVAWAV-LBPRGKRZSA-N 2 1 243.351 -0.489 20 0 BBADMP C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000358063879 173139209 /nfs/dbraw/zinc/13/92/09/173139209.db2.gz JIPAGZXNPLQLHJ-CMPLNLGQSA-N 2 1 241.335 -0.737 20 0 BBADMP C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000358063879 173139206 /nfs/dbraw/zinc/13/92/06/173139206.db2.gz JIPAGZXNPLQLHJ-CMPLNLGQSA-N 2 1 241.335 -0.737 20 0 BBADMP C[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358063879 173139204 /nfs/dbraw/zinc/13/92/04/173139204.db2.gz JIPAGZXNPLQLHJ-CMPLNLGQSA-N 2 1 241.335 -0.737 20 0 BBADMP C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000358063882 173139190 /nfs/dbraw/zinc/13/91/90/173139190.db2.gz JIPAGZXNPLQLHJ-ZYHUDNBSSA-N 2 1 241.335 -0.737 20 0 BBADMP C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000358063882 173139188 /nfs/dbraw/zinc/13/91/88/173139188.db2.gz JIPAGZXNPLQLHJ-ZYHUDNBSSA-N 2 1 241.335 -0.737 20 0 BBADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358063882 173139185 /nfs/dbraw/zinc/13/91/85/173139185.db2.gz JIPAGZXNPLQLHJ-ZYHUDNBSSA-N 2 1 241.335 -0.737 20 0 BBADMP [NH3+]C[C@@H]1CN(CCC[NH+]2CCOCC2)CCO1 ZINC000358132653 386896209 /nfs/dbraw/zinc/89/62/09/386896209.db2.gz DYTCVQPUIHNZCU-GFCCVEGCSA-N 2 1 243.351 -0.632 20 0 BBADMP [NH3+]C[C@H]1CN(CCC[NH+]2CCOCC2)CCO1 ZINC000358132654 386896433 /nfs/dbraw/zinc/89/64/33/386896433.db2.gz DYTCVQPUIHNZCU-LBPRGKRZSA-N 2 1 243.351 -0.632 20 0 BBADMP Cc1nn(C)cc1C[NH2+]C[C@]1(O)CCN(C)C1 ZINC000358132932 386896828 /nfs/dbraw/zinc/89/68/28/386896828.db2.gz HQILOMFZBQLJRW-GFCCVEGCSA-N 2 1 238.335 -0.115 20 0 BBADMP Cc1nn(C)cc1C[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000358132933 386897435 /nfs/dbraw/zinc/89/74/35/386897435.db2.gz HQILOMFZBQLJRW-LBPRGKRZSA-N 2 1 238.335 -0.115 20 0 BBADMP CC[NH+]1C[C@H](NC[C@@]2(O)CC[N@@H+](C)C2)[C@@H](C)C1 ZINC000358168459 170036033 /nfs/dbraw/zinc/03/60/33/170036033.db2.gz QKWCLOWSJPSJAE-AVGNSLFASA-N 2 1 241.379 -0.017 20 0 BBADMP CC[NH+]1C[C@H](NC[C@@]2(O)CC[N@H+](C)C2)[C@@H](C)C1 ZINC000358168459 170036032 /nfs/dbraw/zinc/03/60/32/170036032.db2.gz QKWCLOWSJPSJAE-AVGNSLFASA-N 2 1 241.379 -0.017 20 0 BBADMP CC[N@@H+]1C[C@H](NC[C@@]2(O)CC[NH+](C)C2)[C@@H](C)C1 ZINC000358168459 170036031 /nfs/dbraw/zinc/03/60/31/170036031.db2.gz QKWCLOWSJPSJAE-AVGNSLFASA-N 2 1 241.379 -0.017 20 0 BBADMP CC[NH+]1C[C@H](NC[C@]2(O)CC[N@@H+](C)C2)[C@@H](C)C1 ZINC000358168462 170037137 /nfs/dbraw/zinc/03/71/37/170037137.db2.gz QKWCLOWSJPSJAE-RWMBFGLXSA-N 2 1 241.379 -0.017 20 0 BBADMP CC[NH+]1C[C@H](NC[C@]2(O)CC[N@H+](C)C2)[C@@H](C)C1 ZINC000358168462 170037136 /nfs/dbraw/zinc/03/71/36/170037136.db2.gz QKWCLOWSJPSJAE-RWMBFGLXSA-N 2 1 241.379 -0.017 20 0 BBADMP CC[NH+]1C[C@H](C)[C@H](NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000358168465 170039125 /nfs/dbraw/zinc/03/91/25/170039125.db2.gz QKWCLOWSJPSJAE-XQQFMLRXSA-N 2 1 241.379 -0.017 20 0 BBADMP CC[NH+]1C[C@H](C)[C@H](NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000358168465 170039124 /nfs/dbraw/zinc/03/91/24/170039124.db2.gz QKWCLOWSJPSJAE-XQQFMLRXSA-N 2 1 241.379 -0.017 20 0 BBADMP CC[NH+]1C[C@H](C)[C@H](NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000358168468 170038956 /nfs/dbraw/zinc/03/89/56/170038956.db2.gz QKWCLOWSJPSJAE-YNEHKIRRSA-N 2 1 241.379 -0.017 20 0 BBADMP CC[NH+]1C[C@H](C)[C@H](NC[C@]2(O)CC[N@H+](C)C2)C1 ZINC000358168468 170038955 /nfs/dbraw/zinc/03/89/55/170038955.db2.gz QKWCLOWSJPSJAE-YNEHKIRRSA-N 2 1 241.379 -0.017 20 0 BBADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@]2(O)CC[NH+](C)C2)C1 ZINC000358168468 170038954 /nfs/dbraw/zinc/03/89/54/170038954.db2.gz QKWCLOWSJPSJAE-YNEHKIRRSA-N 2 1 241.379 -0.017 20 0 BBADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358230149 176270031 /nfs/dbraw/zinc/27/00/31/176270031.db2.gz GVRYXGGISYXPNB-AGIUHOORSA-N 3 1 241.379 -0.017 20 0 BBADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358230149 176270028 /nfs/dbraw/zinc/27/00/28/176270028.db2.gz GVRYXGGISYXPNB-AGIUHOORSA-N 3 1 241.379 -0.017 20 0 BBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@]1(O)CC[NH+](C)C1 ZINC000358230149 176270027 /nfs/dbraw/zinc/27/00/27/176270027.db2.gz GVRYXGGISYXPNB-AGIUHOORSA-N 3 1 241.379 -0.017 20 0 BBADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358230151 176269844 /nfs/dbraw/zinc/26/98/44/176269844.db2.gz GVRYXGGISYXPNB-FRRDWIJNSA-N 2 1 241.379 -0.017 20 0 BBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@]1(O)CC[NH+](C)C1 ZINC000358230151 176269842 /nfs/dbraw/zinc/26/98/42/176269842.db2.gz GVRYXGGISYXPNB-FRRDWIJNSA-N 3 1 241.379 -0.017 20 0 BBADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358230153 176270643 /nfs/dbraw/zinc/27/06/43/176270643.db2.gz GVRYXGGISYXPNB-JHJVBQTASA-N 2 1 241.379 -0.017 20 0 BBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@]1(O)CC[NH+](C)C1 ZINC000358230153 176270639 /nfs/dbraw/zinc/27/06/39/176270639.db2.gz GVRYXGGISYXPNB-JHJVBQTASA-N 3 1 241.379 -0.017 20 0 BBADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358230155 176270405 /nfs/dbraw/zinc/27/04/05/176270405.db2.gz GVRYXGGISYXPNB-UPJWGTAASA-N 3 1 241.379 -0.017 20 0 BBADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358230155 176270404 /nfs/dbraw/zinc/27/04/04/176270404.db2.gz GVRYXGGISYXPNB-UPJWGTAASA-N 3 1 241.379 -0.017 20 0 BBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@]1(O)CC[NH+](C)C1 ZINC000358230155 176270403 /nfs/dbraw/zinc/27/04/03/176270403.db2.gz GVRYXGGISYXPNB-UPJWGTAASA-N 3 1 241.379 -0.017 20 0 BBADMP C[N@H+]1CC[C@@](O)(CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000358333192 412255866 /nfs/dbraw/zinc/25/58/66/412255866.db2.gz UUBWVWRHOWKVAC-GFCCVEGCSA-N 2 1 247.302 0.436 20 0 BBADMP C[N@@H+]1CC[C@@](O)(CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000358333192 412255863 /nfs/dbraw/zinc/25/58/63/412255863.db2.gz UUBWVWRHOWKVAC-GFCCVEGCSA-N 2 1 247.302 0.436 20 0 BBADMP C[N@H+]1CC[C@](O)(CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000358333194 412257376 /nfs/dbraw/zinc/25/73/76/412257376.db2.gz UUBWVWRHOWKVAC-LBPRGKRZSA-N 2 1 247.302 0.436 20 0 BBADMP C[N@@H+]1CC[C@](O)(CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000358333194 412257371 /nfs/dbraw/zinc/25/73/71/412257371.db2.gz UUBWVWRHOWKVAC-LBPRGKRZSA-N 2 1 247.302 0.436 20 0 BBADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000358498237 169067535 /nfs/dbraw/zinc/06/75/35/169067535.db2.gz OIFQWIUKANDWRA-JTQLQIEISA-N 2 1 229.324 -0.486 20 0 BBADMP CCC[N@@H+](C)CC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000358498241 169067985 /nfs/dbraw/zinc/06/79/85/169067985.db2.gz OIFQWIUKANDWRA-SNVBAGLBSA-N 2 1 229.324 -0.486 20 0 BBADMP NC(=O)[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000359221325 181283620 /nfs/dbraw/zinc/28/36/20/181283620.db2.gz PAGFVLWOXVHKGK-LLVKDONJSA-N 2 1 241.335 -0.438 20 0 BBADMP NC(=O)[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000359221326 181272527 /nfs/dbraw/zinc/27/25/27/181272527.db2.gz PAGFVLWOXVHKGK-NSHDSACASA-N 2 1 241.335 -0.438 20 0 BBADMP C(CN1CCOCC1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359283850 187379592 /nfs/dbraw/zinc/37/95/92/187379592.db2.gz KBTKSUPOKNADJA-BETUJISGSA-N 2 1 239.363 -0.140 20 0 BBADMP O=C1CCCN1CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359297672 388556184 /nfs/dbraw/zinc/55/61/84/388556184.db2.gz FACRIMRELURFJV-GHMZBOCLSA-N 2 1 223.320 -0.240 20 0 BBADMP O=C1CCCN1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359297673 388555798 /nfs/dbraw/zinc/55/57/98/388555798.db2.gz FACRIMRELURFJV-PHIMTYICSA-N 2 1 223.320 -0.240 20 0 BBADMP O=C1CCCN1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359297673 388555794 /nfs/dbraw/zinc/55/57/94/388555794.db2.gz FACRIMRELURFJV-PHIMTYICSA-N 2 1 223.320 -0.240 20 0 BBADMP O=C1CCCN1CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359297675 388556231 /nfs/dbraw/zinc/55/62/31/388556231.db2.gz FACRIMRELURFJV-QWRGUYRKSA-N 2 1 223.320 -0.240 20 0 BBADMP CNS(=O)(=O)CCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359303428 388556088 /nfs/dbraw/zinc/55/60/88/388556088.db2.gz JTENSOBREGGLFN-AOOOYVTPSA-N 2 1 247.364 -0.923 20 0 BBADMP CNS(=O)(=O)CCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359303428 388556086 /nfs/dbraw/zinc/55/60/86/388556086.db2.gz JTENSOBREGGLFN-AOOOYVTPSA-N 2 1 247.364 -0.923 20 0 BBADMP CNS(=O)(=O)CCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359303430 388555717 /nfs/dbraw/zinc/55/57/17/388555717.db2.gz JTENSOBREGGLFN-NXEZZACHSA-N 2 1 247.364 -0.923 20 0 BBADMP CNS(=O)(=O)CCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359303432 388556209 /nfs/dbraw/zinc/55/62/09/388556209.db2.gz JTENSOBREGGLFN-UWVGGRQHSA-N 2 1 247.364 -0.923 20 0 BBADMP O=C1[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCN1C1CC1 ZINC000359310438 487785997 /nfs/dbraw/zinc/78/59/97/487785997.db2.gz SDPPNEFKCMQKHB-JFGNBEQYSA-N 2 1 235.331 -0.099 20 0 BBADMP O=C1[C@@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCN1C1CC1 ZINC000359310439 487786282 /nfs/dbraw/zinc/78/62/82/487786282.db2.gz SDPPNEFKCMQKHB-UMNHJUIQSA-N 2 1 235.331 -0.099 20 0 BBADMP C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000360103226 173100143 /nfs/dbraw/zinc/10/01/43/173100143.db2.gz GRIRHTGWLQJRMB-LLVKDONJSA-N 2 1 241.335 -0.473 20 0 BBADMP C[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000360103226 173100140 /nfs/dbraw/zinc/10/01/40/173100140.db2.gz GRIRHTGWLQJRMB-LLVKDONJSA-N 2 1 241.335 -0.473 20 0 BBADMP C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC000360103226 173100138 /nfs/dbraw/zinc/10/01/38/173100138.db2.gz GRIRHTGWLQJRMB-LLVKDONJSA-N 2 1 241.335 -0.473 20 0 BBADMP C[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC000360103226 173100136 /nfs/dbraw/zinc/10/01/36/173100136.db2.gz GRIRHTGWLQJRMB-LLVKDONJSA-N 2 1 241.335 -0.473 20 0 BBADMP C[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000360103232 173107377 /nfs/dbraw/zinc/10/73/77/173107377.db2.gz GRIRHTGWLQJRMB-NSHDSACASA-N 2 1 241.335 -0.473 20 0 BBADMP C[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000360103232 173107374 /nfs/dbraw/zinc/10/73/74/173107374.db2.gz GRIRHTGWLQJRMB-NSHDSACASA-N 2 1 241.335 -0.473 20 0 BBADMP C[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC000360103232 173107371 /nfs/dbraw/zinc/10/73/71/173107371.db2.gz GRIRHTGWLQJRMB-NSHDSACASA-N 2 1 241.335 -0.473 20 0 BBADMP C[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC000360103232 173107370 /nfs/dbraw/zinc/10/73/70/173107370.db2.gz GRIRHTGWLQJRMB-NSHDSACASA-N 2 1 241.335 -0.473 20 0 BBADMP COCCC[N@@H+](C)CCNC1=[NH+]CCCN1 ZINC000360297000 174214972 /nfs/dbraw/zinc/21/49/72/174214972.db2.gz SOBIMEVHJKBOLR-UHFFFAOYSA-N 2 1 228.340 -0.106 20 0 BBADMP COCCC[N@H+](C)CCNC1=[NH+]CCCN1 ZINC000360297000 174214969 /nfs/dbraw/zinc/21/49/69/174214969.db2.gz SOBIMEVHJKBOLR-UHFFFAOYSA-N 2 1 228.340 -0.106 20 0 BBADMP CN(C)C(=[NH2+])NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000360573578 172353255 /nfs/dbraw/zinc/35/32/55/172353255.db2.gz SGXQZQPLEICPIT-NXEZZACHSA-N 2 1 226.324 -0.064 20 0 BBADMP CN(C)C(=[NH2+])NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000360573580 172353275 /nfs/dbraw/zinc/35/32/75/172353275.db2.gz SGXQZQPLEICPIT-VHSXEESVSA-N 2 1 226.324 -0.064 20 0 BBADMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360835659 387356010 /nfs/dbraw/zinc/35/60/10/387356010.db2.gz SYLBGTXHMDNZDW-CMPLNLGQSA-N 2 1 239.319 -0.813 20 0 BBADMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000360835662 387355724 /nfs/dbraw/zinc/35/57/24/387355724.db2.gz SYLBGTXHMDNZDW-JQWIXIFHSA-N 2 1 239.319 -0.813 20 0 BBADMP O=C([C@H]1COCC[NH2+]1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000360835664 387355190 /nfs/dbraw/zinc/35/51/90/387355190.db2.gz SYLBGTXHMDNZDW-PWSUYJOCSA-N 2 1 239.319 -0.813 20 0 BBADMP O=C([C@H]1COCC[NH2+]1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360835666 387355116 /nfs/dbraw/zinc/35/51/16/387355116.db2.gz SYLBGTXHMDNZDW-ZYHUDNBSSA-N 2 1 239.319 -0.813 20 0 BBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@H](O)C[NH+](C)C ZINC000361214403 176281994 /nfs/dbraw/zinc/28/19/94/176281994.db2.gz FDRXJIMPIUETBQ-KGYLQXTDSA-N 2 1 241.379 -0.019 20 0 BBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@@H](O)C[NH+](C)C ZINC000361214404 176281277 /nfs/dbraw/zinc/28/12/77/176281277.db2.gz FDRXJIMPIUETBQ-RAIGVLPGSA-N 2 1 241.379 -0.019 20 0 BBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@@H](O)C[NH+](C)C ZINC000361214405 176282228 /nfs/dbraw/zinc/28/22/28/176282228.db2.gz FDRXJIMPIUETBQ-RTXFEEFZSA-N 2 1 241.379 -0.019 20 0 BBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@H](O)C[NH+](C)C ZINC000361214406 176281806 /nfs/dbraw/zinc/28/18/06/176281806.db2.gz FDRXJIMPIUETBQ-WXHSDQCUSA-N 2 1 241.379 -0.019 20 0 BBADMP C[N@@H+]([C@@H]1COC[C@@H]1O)C1CCN(CCO)CC1 ZINC000361287338 387431618 /nfs/dbraw/zinc/43/16/18/387431618.db2.gz JHCVDZCWFKFSAS-NEPJUHHUSA-N 2 1 244.335 -0.865 20 0 BBADMP C[N@@H+]([C@H]1COC[C@H]1O)C1CCN(CCO)CC1 ZINC000361287343 387431941 /nfs/dbraw/zinc/43/19/41/387431941.db2.gz JHCVDZCWFKFSAS-NWDGAFQWSA-N 2 1 244.335 -0.865 20 0 BBADMP C[N@@H+]([C@H]1COC[C@@H]1O)C1CCN(CCO)CC1 ZINC000361287344 387432660 /nfs/dbraw/zinc/43/26/60/387432660.db2.gz JHCVDZCWFKFSAS-RYUDHWBXSA-N 2 1 244.335 -0.865 20 0 BBADMP C[N@@H+]([C@@H]1COC[C@H]1O)C1CCN(CCO)CC1 ZINC000361287346 387432432 /nfs/dbraw/zinc/43/24/32/387432432.db2.gz JHCVDZCWFKFSAS-VXGBXAGGSA-N 2 1 244.335 -0.865 20 0 BBADMP C[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2COC[C@@H]2O)C1 ZINC000361296202 387433850 /nfs/dbraw/zinc/43/38/50/387433850.db2.gz MVZMZRLXOPKVCL-AXFHLTTASA-N 2 1 214.309 -0.370 20 0 BBADMP C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2COC[C@@H]2O)C1 ZINC000361296202 387433847 /nfs/dbraw/zinc/43/38/47/387433847.db2.gz MVZMZRLXOPKVCL-AXFHLTTASA-N 2 1 214.309 -0.370 20 0 BBADMP C[NH+](C)C[C@@H]1CC[N@H+]([C@H]2COC[C@@H]2O)C1 ZINC000361296203 188070015 /nfs/dbraw/zinc/07/00/15/188070015.db2.gz MVZMZRLXOPKVCL-DCAQKATOSA-N 2 1 214.309 -0.370 20 0 BBADMP C[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2COC[C@@H]2O)C1 ZINC000361296203 188070013 /nfs/dbraw/zinc/07/00/13/188070013.db2.gz MVZMZRLXOPKVCL-DCAQKATOSA-N 2 1 214.309 -0.370 20 0 BBADMP C[NH+](C)C[C@@H]1CC[N@H+]([C@H]2COC[C@H]2O)C1 ZINC000361296204 188070286 /nfs/dbraw/zinc/07/02/86/188070286.db2.gz MVZMZRLXOPKVCL-GARJFASQSA-N 2 1 214.309 -0.370 20 0 BBADMP C[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2COC[C@H]2O)C1 ZINC000361296204 188070284 /nfs/dbraw/zinc/07/02/84/188070284.db2.gz MVZMZRLXOPKVCL-GARJFASQSA-N 2 1 214.309 -0.370 20 0 BBADMP C[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2COC[C@H]2O)C1 ZINC000361296205 387434581 /nfs/dbraw/zinc/43/45/81/387434581.db2.gz MVZMZRLXOPKVCL-HBNTYKKESA-N 2 1 214.309 -0.370 20 0 BBADMP C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2COC[C@H]2O)C1 ZINC000361296205 387434576 /nfs/dbraw/zinc/43/45/76/387434576.db2.gz MVZMZRLXOPKVCL-HBNTYKKESA-N 2 1 214.309 -0.370 20 0 BBADMP C[C@H](O)C[NH+](C)CCOCC[N@H+](C)C[C@H](C)O ZINC000361500010 387475023 /nfs/dbraw/zinc/47/50/23/387475023.db2.gz YNCUAQMDYAMPMX-RYUDHWBXSA-N 2 1 248.367 -0.372 20 0 BBADMP C[C@@H](O)C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000361506071 387474170 /nfs/dbraw/zinc/47/41/70/387474170.db2.gz BCEYVMVBNJQZTB-LLVKDONJSA-N 2 1 243.351 -0.537 20 0 BBADMP C[C@@H](O)C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000361506071 387474166 /nfs/dbraw/zinc/47/41/66/387474166.db2.gz BCEYVMVBNJQZTB-LLVKDONJSA-N 2 1 243.351 -0.537 20 0 BBADMP C[C@H](O)C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000361506072 387473641 /nfs/dbraw/zinc/47/36/41/387473641.db2.gz BCEYVMVBNJQZTB-NSHDSACASA-N 2 1 243.351 -0.537 20 0 BBADMP C[C@H](O)C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000361506072 387473637 /nfs/dbraw/zinc/47/36/37/387473637.db2.gz BCEYVMVBNJQZTB-NSHDSACASA-N 2 1 243.351 -0.537 20 0 BBADMP C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000361512141 384811300 /nfs/dbraw/zinc/81/13/00/384811300.db2.gz GAZVCVMNPFPWEB-GXSJLCMTSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H](O)C[N@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000361512141 384811292 /nfs/dbraw/zinc/81/12/92/384811292.db2.gz GAZVCVMNPFPWEB-GXSJLCMTSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000361512142 384810219 /nfs/dbraw/zinc/81/02/19/384810219.db2.gz GAZVCVMNPFPWEB-KOLCDFICSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H](O)C[N@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000361512142 384810212 /nfs/dbraw/zinc/81/02/12/384810212.db2.gz GAZVCVMNPFPWEB-KOLCDFICSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000361512143 384811501 /nfs/dbraw/zinc/81/15/01/384811501.db2.gz GAZVCVMNPFPWEB-MWLCHTKSSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H](O)C[N@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000361512143 384811495 /nfs/dbraw/zinc/81/14/95/384811495.db2.gz GAZVCVMNPFPWEB-MWLCHTKSSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000361512144 384809554 /nfs/dbraw/zinc/80/95/54/384809554.db2.gz GAZVCVMNPFPWEB-ONGXEEELSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H](O)C[N@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000361512144 384809548 /nfs/dbraw/zinc/80/95/48/384809548.db2.gz GAZVCVMNPFPWEB-ONGXEEELSA-N 2 1 216.325 -0.246 20 0 BBADMP [NH3+]CC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000361719776 181354460 /nfs/dbraw/zinc/35/44/60/181354460.db2.gz VKJFJTGAAMEWBQ-GHMZBOCLSA-N 2 1 241.335 -0.295 20 0 BBADMP [NH3+]CC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000361719777 181353727 /nfs/dbraw/zinc/35/37/27/181353727.db2.gz VKJFJTGAAMEWBQ-MNOVXSKESA-N 2 1 241.335 -0.295 20 0 BBADMP [NH3+]CC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000361719778 181355578 /nfs/dbraw/zinc/35/55/78/181355578.db2.gz VKJFJTGAAMEWBQ-QWRGUYRKSA-N 2 1 241.335 -0.295 20 0 BBADMP [NH3+]CC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000361719779 181355839 /nfs/dbraw/zinc/35/58/39/181355839.db2.gz VKJFJTGAAMEWBQ-WDEREUQCSA-N 2 1 241.335 -0.295 20 0 BBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000362365371 176275899 /nfs/dbraw/zinc/27/58/99/176275899.db2.gz NOLPDPUCAWDZMY-GHMZBOCLSA-N 2 1 225.336 -0.042 20 0 BBADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000362365371 176275897 /nfs/dbraw/zinc/27/58/97/176275897.db2.gz NOLPDPUCAWDZMY-GHMZBOCLSA-N 2 1 225.336 -0.042 20 0 BBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000362365372 176270314 /nfs/dbraw/zinc/27/03/14/176270314.db2.gz NOLPDPUCAWDZMY-MNOVXSKESA-N 2 1 225.336 -0.042 20 0 BBADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000362365372 176270313 /nfs/dbraw/zinc/27/03/13/176270313.db2.gz NOLPDPUCAWDZMY-MNOVXSKESA-N 2 1 225.336 -0.042 20 0 BBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000362365373 177234379 /nfs/dbraw/zinc/23/43/79/177234379.db2.gz NOLPDPUCAWDZMY-QWRGUYRKSA-N 2 1 225.336 -0.042 20 0 BBADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000362365373 177234377 /nfs/dbraw/zinc/23/43/77/177234377.db2.gz NOLPDPUCAWDZMY-QWRGUYRKSA-N 2 1 225.336 -0.042 20 0 BBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C)CC1 ZINC000362365373 177234376 /nfs/dbraw/zinc/23/43/76/177234376.db2.gz NOLPDPUCAWDZMY-QWRGUYRKSA-N 2 1 225.336 -0.042 20 0 BBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000362365374 177237860 /nfs/dbraw/zinc/23/78/60/177237860.db2.gz NOLPDPUCAWDZMY-WDEREUQCSA-N 2 1 225.336 -0.042 20 0 BBADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000362365374 177237859 /nfs/dbraw/zinc/23/78/59/177237859.db2.gz NOLPDPUCAWDZMY-WDEREUQCSA-N 2 1 225.336 -0.042 20 0 BBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC([NH+](C)C)C1 ZINC000362990630 177237291 /nfs/dbraw/zinc/23/72/91/177237291.db2.gz PISHVTWVAXNXPA-GXSJLCMTSA-N 2 1 225.336 -0.044 20 0 BBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC([NH+](C)C)C1 ZINC000362990631 176271251 /nfs/dbraw/zinc/27/12/51/176271251.db2.gz PISHVTWVAXNXPA-KOLCDFICSA-N 2 1 225.336 -0.044 20 0 BBADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC([NH+](C)C)C1 ZINC000362990632 176275926 /nfs/dbraw/zinc/27/59/26/176275926.db2.gz PISHVTWVAXNXPA-MWLCHTKSSA-N 2 1 225.336 -0.044 20 0 BBADMP COCC[N@H+]1CCCN(C(=O)C[NH+](C)C)CC1 ZINC000363019961 174307185 /nfs/dbraw/zinc/30/71/85/174307185.db2.gz SRYSVCQOQLCRPC-UHFFFAOYSA-N 2 1 243.351 -0.271 20 0 BBADMP COCC[N@@H+]1CCCN(C(=O)C[NH+](C)C)CC1 ZINC000363019961 174307184 /nfs/dbraw/zinc/30/71/84/174307184.db2.gz SRYSVCQOQLCRPC-UHFFFAOYSA-N 2 1 243.351 -0.271 20 0 BBADMP C[NH+](C)CC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363100680 387688229 /nfs/dbraw/zinc/68/82/29/387688229.db2.gz MAOFMLXNZHLWLJ-GHMZBOCLSA-N 2 1 241.335 -0.473 20 0 BBADMP C[NH+](C)CC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363100681 387688105 /nfs/dbraw/zinc/68/81/05/387688105.db2.gz MAOFMLXNZHLWLJ-MNOVXSKESA-N 2 1 241.335 -0.473 20 0 BBADMP C[NH+](C)CC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363100682 387689019 /nfs/dbraw/zinc/68/90/19/387689019.db2.gz MAOFMLXNZHLWLJ-QWRGUYRKSA-N 2 1 241.335 -0.473 20 0 BBADMP C[NH+](C)CC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363100683 387687676 /nfs/dbraw/zinc/68/76/76/387687676.db2.gz MAOFMLXNZHLWLJ-WDEREUQCSA-N 2 1 241.335 -0.473 20 0 BBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000364211465 385255818 /nfs/dbraw/zinc/25/58/18/385255818.db2.gz AOGWHJLUNRACQM-GMTAPVOTSA-N 2 1 243.351 -0.444 20 0 BBADMP C[N@@H+](CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1)C1CC1 ZINC000364221747 385263221 /nfs/dbraw/zinc/26/32/21/385263221.db2.gz PSSCBAXDQUVTRH-WCBMZHEXSA-N 2 1 229.299 -0.103 20 0 BBADMP O=C(C1C[NH2+]C1)N1CCC[N@H+](C2CC2)CC1 ZINC000364880317 385535239 /nfs/dbraw/zinc/53/52/39/385535239.db2.gz KQSVNIYDJSIWLO-UHFFFAOYSA-N 2 1 223.320 -0.098 20 0 BBADMP C[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000364986466 384901097 /nfs/dbraw/zinc/90/10/97/384901097.db2.gz LGYPQKZZDZXTNN-AEJSXWLSSA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000364986475 384900092 /nfs/dbraw/zinc/90/00/92/384900092.db2.gz LGYPQKZZDZXTNN-GUBZILKMSA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000364986477 384900423 /nfs/dbraw/zinc/90/04/23/384900423.db2.gz LGYPQKZZDZXTNN-IVZWLZJFSA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000364986478 384899654 /nfs/dbraw/zinc/89/96/54/384899654.db2.gz LGYPQKZZDZXTNN-LPEHRKFASA-N 2 1 211.309 -0.114 20 0 BBADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000365083089 348869627 /nfs/dbraw/zinc/86/96/27/348869627.db2.gz GXIKQGHXZNNABY-HBNTYKKESA-N 2 1 241.335 -0.690 20 0 BBADMP C[N@@H+](CCNC(=O)[C@@]1(F)CC[NH2+]C1)C1CC1 ZINC000366350134 386380683 /nfs/dbraw/zinc/38/06/83/386380683.db2.gz ZWDYTVYLYHAZFK-LLVKDONJSA-N 2 1 229.299 -0.102 20 0 BBADMP C[N@@H+](CCNC(=O)[C@]1(F)CC[NH2+]C1)C1CC1 ZINC000366350135 172744443 /nfs/dbraw/zinc/74/44/43/172744443.db2.gz ZWDYTVYLYHAZFK-NSHDSACASA-N 2 1 229.299 -0.102 20 0 BBADMP O=C(NC1C[NH2+]C1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000366416701 182119490 /nfs/dbraw/zinc/11/94/90/182119490.db2.gz YONLCVQGHZNRJF-GXSJLCMTSA-N 2 1 223.320 -0.051 20 0 BBADMP O=C(NC1C[NH2+]C1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000366416702 182119494 /nfs/dbraw/zinc/11/94/94/182119494.db2.gz YONLCVQGHZNRJF-KOLCDFICSA-N 2 1 223.320 -0.051 20 0 BBADMP O=C(NC1C[NH2+]C1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000366416703 182119124 /nfs/dbraw/zinc/11/91/24/182119124.db2.gz YONLCVQGHZNRJF-MWLCHTKSSA-N 2 1 223.320 -0.051 20 0 BBADMP O=C(NC1C[NH2+]C1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000366416705 182119025 /nfs/dbraw/zinc/11/90/25/182119025.db2.gz YONLCVQGHZNRJF-ONGXEEELSA-N 2 1 223.320 -0.051 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000366529942 170005228 /nfs/dbraw/zinc/00/52/28/170005228.db2.gz RAOKQYVPMNVUJO-YTWAJWBKSA-N 2 1 239.319 -0.959 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000366529942 170005225 /nfs/dbraw/zinc/00/52/25/170005225.db2.gz RAOKQYVPMNVUJO-YTWAJWBKSA-N 2 1 239.319 -0.959 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000366529943 170006178 /nfs/dbraw/zinc/00/61/78/170006178.db2.gz RAOKQYVPMNVUJO-ZRUFSTJUSA-N 2 1 239.319 -0.959 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000366529943 170006177 /nfs/dbraw/zinc/00/61/77/170006177.db2.gz RAOKQYVPMNVUJO-ZRUFSTJUSA-N 2 1 239.319 -0.959 20 0 BBADMP C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000367055705 136116999 /nfs/dbraw/zinc/11/69/99/136116999.db2.gz SBSQJZYQRXKQLR-OUAUKWLOSA-N 2 1 241.335 -0.297 20 0 BBADMP C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000367055705 136116998 /nfs/dbraw/zinc/11/69/98/136116998.db2.gz SBSQJZYQRXKQLR-OUAUKWLOSA-N 2 1 241.335 -0.297 20 0 BBADMP C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000367055706 136117152 /nfs/dbraw/zinc/11/71/52/136117152.db2.gz SBSQJZYQRXKQLR-VWYCJHECSA-N 2 1 241.335 -0.297 20 0 BBADMP C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000367055706 136117151 /nfs/dbraw/zinc/11/71/51/136117151.db2.gz SBSQJZYQRXKQLR-VWYCJHECSA-N 2 1 241.335 -0.297 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC([NH+](C)C)C2)C1 ZINC000367060571 136300136 /nfs/dbraw/zinc/30/01/36/136300136.db2.gz QLOJAYSLIMNKED-LLVKDONJSA-N 2 1 241.335 -0.521 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC([NH+](C)C)C2)C1 ZINC000367060571 136300135 /nfs/dbraw/zinc/30/01/35/136300135.db2.gz QLOJAYSLIMNKED-LLVKDONJSA-N 2 1 241.335 -0.521 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC([NH+](C)C)C2)C1 ZINC000367060572 136301280 /nfs/dbraw/zinc/30/12/80/136301280.db2.gz QLOJAYSLIMNKED-NSHDSACASA-N 2 1 241.335 -0.521 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC([NH+](C)C)C2)C1 ZINC000367060572 136301279 /nfs/dbraw/zinc/30/12/79/136301279.db2.gz QLOJAYSLIMNKED-NSHDSACASA-N 2 1 241.335 -0.521 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000367186235 188236573 /nfs/dbraw/zinc/23/65/73/188236573.db2.gz MMNAUIUNVUVVED-MNOVXSKESA-N 2 1 241.335 -0.474 20 0 BBADMP O=C([C@@H]1CC[NH2+]C1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367287807 386857943 /nfs/dbraw/zinc/85/79/43/386857943.db2.gz SZNKKMRADKKKSY-HTQZYQBOSA-N 2 1 233.262 -0.339 20 0 BBADMP O=C([C@H]1CC[NH2+]C1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367287808 386858007 /nfs/dbraw/zinc/85/80/07/386858007.db2.gz SZNKKMRADKKKSY-JGVFFNPUSA-N 2 1 233.262 -0.339 20 0 BBADMP O=C([C@@H]1CC[NH2+]C1)N1CC[NH2+]C[C@H]1C(F)F ZINC000367287809 386858824 /nfs/dbraw/zinc/85/88/24/386858824.db2.gz SZNKKMRADKKKSY-SFYZADRCSA-N 2 1 233.262 -0.339 20 0 BBADMP O=C([C@H]1CC[NH2+]C1)N1CC[NH2+]C[C@H]1C(F)F ZINC000367287810 386857966 /nfs/dbraw/zinc/85/79/66/386857966.db2.gz SZNKKMRADKKKSY-YUMQZZPRSA-N 2 1 233.262 -0.339 20 0 BBADMP CCC[N@H+]1CCCN(C(=O)[C@H]([NH3+])COC)CC1 ZINC000367534513 169193659 /nfs/dbraw/zinc/19/36/59/169193659.db2.gz WLPHDQIONMNHQT-LLVKDONJSA-N 2 1 243.351 -0.096 20 0 BBADMP CCC[N@H+]1CCCN(C(=O)[C@@H]([NH3+])COC)CC1 ZINC000367534514 169193821 /nfs/dbraw/zinc/19/38/21/169193821.db2.gz WLPHDQIONMNHQT-NSHDSACASA-N 2 1 243.351 -0.096 20 0 BBADMP COC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000367595408 387729661 /nfs/dbraw/zinc/72/96/61/387729661.db2.gz NWTSGCAUUJEYOM-DCAQKATOSA-N 2 1 241.335 -0.487 20 0 BBADMP COC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000367595410 387729994 /nfs/dbraw/zinc/72/99/94/387729994.db2.gz NWTSGCAUUJEYOM-GARJFASQSA-N 2 1 241.335 -0.487 20 0 BBADMP COC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000367595412 387730682 /nfs/dbraw/zinc/73/06/82/387730682.db2.gz NWTSGCAUUJEYOM-OUAUKWLOSA-N 2 1 241.335 -0.487 20 0 BBADMP COC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000367595414 387729944 /nfs/dbraw/zinc/72/99/44/387729944.db2.gz NWTSGCAUUJEYOM-VWYCJHECSA-N 2 1 241.335 -0.487 20 0 BBADMP O=C(C1C[NH2+]C1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000367664398 387740416 /nfs/dbraw/zinc/74/04/16/387740416.db2.gz JIUJDFDUBKXHBH-GFCCVEGCSA-N 2 1 246.314 -0.226 20 0 BBADMP O=C(C1C[NH2+]C1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000367664399 387740033 /nfs/dbraw/zinc/74/00/33/387740033.db2.gz JIUJDFDUBKXHBH-LBPRGKRZSA-N 2 1 246.314 -0.226 20 0 BBADMP COC[C@@H]([NH3+])C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000367709892 387746298 /nfs/dbraw/zinc/74/62/98/387746298.db2.gz VRMDFECSGDKFMU-LLVKDONJSA-N 2 1 241.335 -0.343 20 0 BBADMP COC[C@H]([NH3+])C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000367709895 387747275 /nfs/dbraw/zinc/74/72/75/387747275.db2.gz VRMDFECSGDKFMU-NSHDSACASA-N 2 1 241.335 -0.343 20 0 BBADMP [NH3+]CCC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000367993537 181366453 /nfs/dbraw/zinc/36/64/53/181366453.db2.gz MCNYZLPEXJRVJR-LURJTMIESA-N 2 1 207.224 -0.599 20 0 BBADMP [NH3+]CCC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367993538 181366685 /nfs/dbraw/zinc/36/66/85/181366685.db2.gz MCNYZLPEXJRVJR-ZCFIWIBFSA-N 2 1 207.224 -0.599 20 0 BBADMP COC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000367993885 386926125 /nfs/dbraw/zinc/92/61/25/386926125.db2.gz NRKQELDQDSMARF-BQBZGAKWSA-N 2 1 237.250 -0.974 20 0 BBADMP COC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367993886 386926661 /nfs/dbraw/zinc/92/66/61/386926661.db2.gz NRKQELDQDSMARF-NKWVEPMBSA-N 2 1 237.250 -0.974 20 0 BBADMP COC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367993887 386925951 /nfs/dbraw/zinc/92/59/51/386925951.db2.gz NRKQELDQDSMARF-RNFRBKRXSA-N 2 1 237.250 -0.974 20 0 BBADMP COC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000367993888 386926179 /nfs/dbraw/zinc/92/61/79/386926179.db2.gz NRKQELDQDSMARF-RQJHMYQMSA-N 2 1 237.250 -0.974 20 0 BBADMP C[NH2+]CC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000368003933 173326086 /nfs/dbraw/zinc/32/60/86/173326086.db2.gz AOCNQBMGDRVCKA-LURJTMIESA-N 2 1 207.224 -0.729 20 0 BBADMP C[NH2+]CC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000368003935 173326362 /nfs/dbraw/zinc/32/63/62/173326362.db2.gz AOCNQBMGDRVCKA-ZCFIWIBFSA-N 2 1 207.224 -0.729 20 0 BBADMP O=C(N[C@H]1CC12CC[NH2+]CC2)[C@H]1CSC[NH2+]1 ZINC000368149242 182325794 /nfs/dbraw/zinc/32/57/94/182325794.db2.gz ISZMUCRQKHSMBW-BDAKNGLRSA-N 2 1 241.360 -0.093 20 0 BBADMP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CSC[NH2+]1 ZINC000368149243 182289887 /nfs/dbraw/zinc/28/98/87/182289887.db2.gz ISZMUCRQKHSMBW-DTWKUNHWSA-N 2 1 241.360 -0.093 20 0 BBADMP O=C(N[C@H]1CC12CC[NH2+]CC2)[C@@H]1CSC[NH2+]1 ZINC000368149246 182326356 /nfs/dbraw/zinc/32/63/56/182326356.db2.gz ISZMUCRQKHSMBW-IUCAKERBSA-N 2 1 241.360 -0.093 20 0 BBADMP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@H]1CSC[NH2+]1 ZINC000368149247 182290499 /nfs/dbraw/zinc/29/04/99/182290499.db2.gz ISZMUCRQKHSMBW-RKDXNWHRSA-N 2 1 241.360 -0.093 20 0 BBADMP O=C([C@@H]1CSC[NH2+]1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000368185046 384511478 /nfs/dbraw/zinc/51/14/78/384511478.db2.gz MKHFDXIJMSVFKG-AEJSXWLSSA-N 2 1 241.360 -0.141 20 0 BBADMP O=C([C@@H]1CSC[NH2+]1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000368185047 384511755 /nfs/dbraw/zinc/51/17/55/384511755.db2.gz MKHFDXIJMSVFKG-BBBLOLIVSA-N 2 1 241.360 -0.141 20 0 BBADMP O=C([C@@H]1CSC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000368185048 384510485 /nfs/dbraw/zinc/51/04/85/384510485.db2.gz MKHFDXIJMSVFKG-GUBZILKMSA-N 2 1 241.360 -0.141 20 0 BBADMP O=C([C@@H]1CSC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000368185049 384511643 /nfs/dbraw/zinc/51/16/43/384511643.db2.gz MKHFDXIJMSVFKG-UTLUCORTSA-N 2 1 241.360 -0.141 20 0 BBADMP O=C([C@H]1CSC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368373088 388568427 /nfs/dbraw/zinc/56/84/27/388568427.db2.gz DUWFWCLKSLALJW-DJLDLDEBSA-N 2 1 227.333 -0.531 20 0 BBADMP O=C([C@@H]1CSC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368373089 386966953 /nfs/dbraw/zinc/96/69/53/386966953.db2.gz DUWFWCLKSLALJW-XHNCKOQMSA-N 2 1 227.333 -0.531 20 0 BBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)C)C1 ZINC000368457342 386975347 /nfs/dbraw/zinc/97/53/47/386975347.db2.gz IPZPHLPPDWYFHL-LLVKDONJSA-N 2 1 243.351 -0.227 20 0 BBADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)C)C1 ZINC000368457349 386976723 /nfs/dbraw/zinc/97/67/23/386976723.db2.gz IPZPHLPPDWYFHL-NSHDSACASA-N 2 1 243.351 -0.227 20 0 BBADMP C[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000368503463 388569693 /nfs/dbraw/zinc/56/96/93/388569693.db2.gz LGYPQKZZDZXTNN-BBBLOLIVSA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000368503464 388568880 /nfs/dbraw/zinc/56/88/80/388568880.db2.gz LGYPQKZZDZXTNN-KXUCPTDWSA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000368503465 388569537 /nfs/dbraw/zinc/56/95/37/388569537.db2.gz LGYPQKZZDZXTNN-OPRDCNLKSA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000368503466 388569719 /nfs/dbraw/zinc/56/97/19/388569719.db2.gz LGYPQKZZDZXTNN-UTLUCORTSA-N 2 1 211.309 -0.114 20 0 BBADMP O=C([C@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000368557116 386986542 /nfs/dbraw/zinc/98/65/42/386986542.db2.gz MYCFZPVJHBOJCA-HTQZYQBOSA-N 2 1 249.261 -0.960 20 0 BBADMP O=C([C@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@H]1C(F)F ZINC000368557117 386986131 /nfs/dbraw/zinc/98/61/31/386986131.db2.gz MYCFZPVJHBOJCA-JGVFFNPUSA-N 2 1 249.261 -0.960 20 0 BBADMP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000368557118 386986565 /nfs/dbraw/zinc/98/65/65/386986565.db2.gz MYCFZPVJHBOJCA-SFYZADRCSA-N 2 1 249.261 -0.960 20 0 BBADMP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@H]1C(F)F ZINC000368557119 386986616 /nfs/dbraw/zinc/98/66/16/386986616.db2.gz MYCFZPVJHBOJCA-YUMQZZPRSA-N 2 1 249.261 -0.960 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000368598817 181357575 /nfs/dbraw/zinc/35/75/75/181357575.db2.gz SJQDSQQAUZWPJH-SSDOTTSWSA-N 2 1 237.250 -0.925 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000368598818 181357433 /nfs/dbraw/zinc/35/74/33/181357433.db2.gz SJQDSQQAUZWPJH-ZETCQYMHSA-N 2 1 237.250 -0.925 20 0 BBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)C1C[NH2+]C1 ZINC000368602043 386991446 /nfs/dbraw/zinc/99/14/46/386991446.db2.gz ISETWYXTCOGYBF-JTQLQIEISA-N 2 1 249.318 -0.888 20 0 BBADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)C1C[NH2+]C1 ZINC000368602044 386990925 /nfs/dbraw/zinc/99/09/25/386990925.db2.gz ISETWYXTCOGYBF-SNVBAGLBSA-N 2 1 249.318 -0.888 20 0 BBADMP OCC[N@H+]1CCC2(C1)CC[NH+](CCO)CC2 ZINC000368768058 183072242 /nfs/dbraw/zinc/07/22/42/183072242.db2.gz YBVAEYFUPNWCFA-UHFFFAOYSA-N 2 1 228.336 -0.241 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000368815765 181357475 /nfs/dbraw/zinc/35/74/75/181357475.db2.gz GRPRCUACNUAQLV-APPZFPTMSA-N 2 1 233.262 -0.304 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000368815766 181357502 /nfs/dbraw/zinc/35/75/02/181357502.db2.gz GRPRCUACNUAQLV-CBAPKCEASA-N 2 1 233.262 -0.304 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000368815767 181358245 /nfs/dbraw/zinc/35/82/45/181358245.db2.gz GRPRCUACNUAQLV-IONNQARKSA-N 2 1 233.262 -0.304 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000368815768 181357947 /nfs/dbraw/zinc/35/79/47/181357947.db2.gz GRPRCUACNUAQLV-VXNVDRBHSA-N 2 1 233.262 -0.304 20 0 BBADMP Cn1cncc1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000368827008 387016155 /nfs/dbraw/zinc/01/61/55/387016155.db2.gz UKZVWAQYAVEPNT-GFCCVEGCSA-N 2 1 236.319 -0.064 20 0 BBADMP Cn1cncc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000368827009 387014244 /nfs/dbraw/zinc/01/42/44/387014244.db2.gz UKZVWAQYAVEPNT-LBPRGKRZSA-N 2 1 236.319 -0.064 20 0 BBADMP C[C@H](CO)[N@H+]1CCCN(C(=O)C[NH+](C)C)CC1 ZINC000368972652 387022960 /nfs/dbraw/zinc/02/29/60/387022960.db2.gz HDUIPSIZECHXQZ-LLVKDONJSA-N 2 1 243.351 -0.537 20 0 BBADMP C[C@H](CO)[N@@H+]1CCCN(C(=O)C[NH+](C)C)CC1 ZINC000368972652 387022957 /nfs/dbraw/zinc/02/29/57/387022957.db2.gz HDUIPSIZECHXQZ-LLVKDONJSA-N 2 1 243.351 -0.537 20 0 BBADMP C[C@@H](CO)[N@H+]1CCCN(C(=O)C[NH+](C)C)CC1 ZINC000368972653 387022242 /nfs/dbraw/zinc/02/22/42/387022242.db2.gz HDUIPSIZECHXQZ-NSHDSACASA-N 2 1 243.351 -0.537 20 0 BBADMP C[C@@H](CO)[N@@H+]1CCCN(C(=O)C[NH+](C)C)CC1 ZINC000368972653 387022238 /nfs/dbraw/zinc/02/22/38/387022238.db2.gz HDUIPSIZECHXQZ-NSHDSACASA-N 2 1 243.351 -0.537 20 0 BBADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000368988602 356981140 /nfs/dbraw/zinc/98/11/40/356981140.db2.gz ASEMRJAIODUTJP-GMTAPVOTSA-N 2 1 241.335 -0.690 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000370768352 174276555 /nfs/dbraw/zinc/27/65/55/174276555.db2.gz ZZQQDOZDFAUDSO-LLVKDONJSA-N 2 1 247.314 -0.618 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000370768353 174277274 /nfs/dbraw/zinc/27/72/74/174277274.db2.gz ZZQQDOZDFAUDSO-NSHDSACASA-N 2 1 247.314 -0.618 20 0 BBADMP [NH3+]CC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000370773534 181350038 /nfs/dbraw/zinc/35/00/38/181350038.db2.gz ONJQDIJNERAWNE-AXFHLTTASA-N 2 1 223.320 -0.112 20 0 BBADMP [NH3+]CC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000370773535 181350518 /nfs/dbraw/zinc/35/05/18/181350518.db2.gz ONJQDIJNERAWNE-DCAQKATOSA-N 2 1 223.320 -0.112 20 0 BBADMP [NH3+]CC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000370773536 181349463 /nfs/dbraw/zinc/34/94/63/181349463.db2.gz ONJQDIJNERAWNE-GARJFASQSA-N 2 1 223.320 -0.112 20 0 BBADMP [NH3+]CC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000370773537 181350743 /nfs/dbraw/zinc/35/07/43/181350743.db2.gz ONJQDIJNERAWNE-HBNTYKKESA-N 2 1 223.320 -0.112 20 0 BBADMP C[NH+](C)CCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000371375631 387200444 /nfs/dbraw/zinc/20/04/44/387200444.db2.gz OTWMCLFXUQXSLH-LLVKDONJSA-N 2 1 240.351 -0.946 20 0 BBADMP C[NH+](C)CCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000371375632 387198020 /nfs/dbraw/zinc/19/80/20/387198020.db2.gz OTWMCLFXUQXSLH-NSHDSACASA-N 2 1 240.351 -0.946 20 0 BBADMP C[NH2+]CC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000372097737 173326559 /nfs/dbraw/zinc/32/65/59/173326559.db2.gz CFKBUPWFJBUJNL-GHMZBOCLSA-N 2 1 241.335 -0.737 20 0 BBADMP C[NH2+]CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000372097738 173326006 /nfs/dbraw/zinc/32/60/06/173326006.db2.gz CFKBUPWFJBUJNL-MNOVXSKESA-N 2 1 241.335 -0.737 20 0 BBADMP C[NH2+]CC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000372097739 173326638 /nfs/dbraw/zinc/32/66/38/173326638.db2.gz CFKBUPWFJBUJNL-QWRGUYRKSA-N 2 1 241.335 -0.737 20 0 BBADMP C[NH2+]CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000372097740 173326514 /nfs/dbraw/zinc/32/65/14/173326514.db2.gz CFKBUPWFJBUJNL-WDEREUQCSA-N 2 1 241.335 -0.737 20 0 BBADMP [NH3+]CC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000372099726 181349627 /nfs/dbraw/zinc/34/96/27/181349627.db2.gz XWZDQJFOEYCPBK-NXEZZACHSA-N 2 1 227.308 -0.997 20 0 BBADMP [NH3+]CC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000372099727 181350198 /nfs/dbraw/zinc/35/01/98/181350198.db2.gz XWZDQJFOEYCPBK-UWVGGRQHSA-N 2 1 227.308 -0.997 20 0 BBADMP [NH3+]CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000372099728 181350181 /nfs/dbraw/zinc/35/01/81/181350181.db2.gz XWZDQJFOEYCPBK-VHSXEESVSA-N 2 1 227.308 -0.997 20 0 BBADMP [NH3+]CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000372099729 181349798 /nfs/dbraw/zinc/34/97/98/181349798.db2.gz XWZDQJFOEYCPBK-ZJUUUORDSA-N 2 1 227.308 -0.997 20 0 BBADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@H](O)C[C@H]1CO ZINC000372124908 173052265 /nfs/dbraw/zinc/05/22/65/173052265.db2.gz WPEVFRWODQXXJN-SDDRHHMPSA-N 2 1 228.336 -0.102 20 0 BBADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000372124908 173052264 /nfs/dbraw/zinc/05/22/64/173052264.db2.gz WPEVFRWODQXXJN-SDDRHHMPSA-N 2 1 228.336 -0.102 20 0 BBADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@H](O)C[C@H]1CO ZINC000372124908 173052263 /nfs/dbraw/zinc/05/22/63/173052263.db2.gz WPEVFRWODQXXJN-SDDRHHMPSA-N 2 1 228.336 -0.102 20 0 BBADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000372867308 387332642 /nfs/dbraw/zinc/33/26/42/387332642.db2.gz GXIKQGHXZNNABY-GARJFASQSA-N 2 1 241.335 -0.690 20 0 BBADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000372887885 387330777 /nfs/dbraw/zinc/33/07/77/387330777.db2.gz ASEMRJAIODUTJP-OUAUKWLOSA-N 2 1 241.335 -0.690 20 0 BBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000372907416 411340291 /nfs/dbraw/zinc/34/02/91/411340291.db2.gz AOGWHJLUNRACQM-OUAUKWLOSA-N 2 1 243.351 -0.444 20 0 BBADMP [NH3+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000373088991 181395483 /nfs/dbraw/zinc/39/54/83/181395483.db2.gz FKISXWTXDPEHOO-NXEZZACHSA-N 2 1 211.309 -0.064 20 0 BBADMP [NH3+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000373088992 181395322 /nfs/dbraw/zinc/39/53/22/181395322.db2.gz FKISXWTXDPEHOO-UWVGGRQHSA-N 2 1 211.309 -0.064 20 0 BBADMP [NH3+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000373088993 181395674 /nfs/dbraw/zinc/39/56/74/181395674.db2.gz FKISXWTXDPEHOO-VHSXEESVSA-N 2 1 211.309 -0.064 20 0 BBADMP [NH3+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000373088994 181395327 /nfs/dbraw/zinc/39/53/27/181395327.db2.gz FKISXWTXDPEHOO-ZJUUUORDSA-N 2 1 211.309 -0.064 20 0 BBADMP C[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000373872354 387401098 /nfs/dbraw/zinc/40/10/98/387401098.db2.gz SBSQJZYQRXKQLR-DCAQKATOSA-N 2 1 241.335 -0.297 20 0 BBADMP C[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000373872354 387401093 /nfs/dbraw/zinc/40/10/93/387401093.db2.gz SBSQJZYQRXKQLR-DCAQKATOSA-N 2 1 241.335 -0.297 20 0 BBADMP C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000373872355 387401767 /nfs/dbraw/zinc/40/17/67/387401767.db2.gz SBSQJZYQRXKQLR-GARJFASQSA-N 2 1 241.335 -0.297 20 0 BBADMP C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000373872355 387401764 /nfs/dbraw/zinc/40/17/64/387401764.db2.gz SBSQJZYQRXKQLR-GARJFASQSA-N 2 1 241.335 -0.297 20 0 BBADMP C[NH2+]CC(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000374117935 173330225 /nfs/dbraw/zinc/33/02/25/173330225.db2.gz DXRSSZJOHXBRGA-GHMZBOCLSA-N 2 1 241.335 -0.425 20 0 BBADMP C[NH2+]CC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000374117935 173330224 /nfs/dbraw/zinc/33/02/24/173330224.db2.gz DXRSSZJOHXBRGA-GHMZBOCLSA-N 2 1 241.335 -0.425 20 0 BBADMP C[NH2+]CC(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000374117948 173329753 /nfs/dbraw/zinc/32/97/53/173329753.db2.gz DXRSSZJOHXBRGA-MNOVXSKESA-N 2 1 241.335 -0.425 20 0 BBADMP C[NH2+]CC(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000374117948 173329751 /nfs/dbraw/zinc/32/97/51/173329751.db2.gz DXRSSZJOHXBRGA-MNOVXSKESA-N 2 1 241.335 -0.425 20 0 BBADMP C[NH2+]CC(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000374117950 173330419 /nfs/dbraw/zinc/33/04/19/173330419.db2.gz DXRSSZJOHXBRGA-QWRGUYRKSA-N 2 1 241.335 -0.425 20 0 BBADMP C[NH2+]CC(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000374117950 173330418 /nfs/dbraw/zinc/33/04/18/173330418.db2.gz DXRSSZJOHXBRGA-QWRGUYRKSA-N 2 1 241.335 -0.425 20 0 BBADMP C[NH2+]CC(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000374117951 173330676 /nfs/dbraw/zinc/33/06/76/173330676.db2.gz DXRSSZJOHXBRGA-WDEREUQCSA-N 2 1 241.335 -0.425 20 0 BBADMP C[NH2+]CC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000374117951 173330674 /nfs/dbraw/zinc/33/06/74/173330674.db2.gz DXRSSZJOHXBRGA-WDEREUQCSA-N 2 1 241.335 -0.425 20 0 BBADMP C[NH2+]CC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000374126278 173327275 /nfs/dbraw/zinc/32/72/75/173327275.db2.gz UTSJBMMOVXHDOQ-UWVGGRQHSA-N 2 1 211.309 -0.242 20 0 BBADMP C[NH2+]CC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000374126279 173328003 /nfs/dbraw/zinc/32/80/03/173328003.db2.gz UTSJBMMOVXHDOQ-VHSXEESVSA-N 2 1 211.309 -0.242 20 0 BBADMP CNC(=[NH2+])NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000374369555 173209948 /nfs/dbraw/zinc/20/99/48/173209948.db2.gz VFAXGSBQOZVONU-UWVGGRQHSA-N 2 1 226.324 -0.017 20 0 BBADMP CNC(=[NH2+])NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000374369555 173209946 /nfs/dbraw/zinc/20/99/46/173209946.db2.gz VFAXGSBQOZVONU-UWVGGRQHSA-N 2 1 226.324 -0.017 20 0 BBADMP CNC(=[NH2+])NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000374369556 173209236 /nfs/dbraw/zinc/20/92/36/173209236.db2.gz VFAXGSBQOZVONU-VHSXEESVSA-N 2 1 226.324 -0.017 20 0 BBADMP CNC(=[NH2+])NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000374369556 173209235 /nfs/dbraw/zinc/20/92/35/173209235.db2.gz VFAXGSBQOZVONU-VHSXEESVSA-N 2 1 226.324 -0.017 20 0 BBADMP NC(=[NH2+])NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000374372630 181190926 /nfs/dbraw/zinc/19/09/26/181190926.db2.gz ZUKMCYAGNXNYQA-BDAKNGLRSA-N 2 1 212.297 -0.277 20 0 BBADMP NC(=[NH2+])NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000374372630 181190922 /nfs/dbraw/zinc/19/09/22/181190922.db2.gz ZUKMCYAGNXNYQA-BDAKNGLRSA-N 2 1 212.297 -0.277 20 0 BBADMP NC(=[NH2+])NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000374372631 181190332 /nfs/dbraw/zinc/19/03/32/181190332.db2.gz ZUKMCYAGNXNYQA-RKDXNWHRSA-N 2 1 212.297 -0.277 20 0 BBADMP NC(=[NH2+])NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000374372631 181190330 /nfs/dbraw/zinc/19/03/30/181190330.db2.gz ZUKMCYAGNXNYQA-RKDXNWHRSA-N 2 1 212.297 -0.277 20 0 BBADMP Cn1cc([C@H]2C[NH2+]CCN2C(=O)C2C[NH2+]C2)cn1 ZINC000374628466 387474291 /nfs/dbraw/zinc/47/42/91/387474291.db2.gz YWMALPRTUXGDRW-LLVKDONJSA-N 2 1 249.318 -0.888 20 0 BBADMP Cn1cc([C@@H]2C[NH2+]CCN2C(=O)C2C[NH2+]C2)cn1 ZINC000374628467 387476452 /nfs/dbraw/zinc/47/64/52/387476452.db2.gz YWMALPRTUXGDRW-NSHDSACASA-N 2 1 249.318 -0.888 20 0 BBADMP CC[NH+](CC)CCC[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000375715296 387571801 /nfs/dbraw/zinc/57/18/01/387571801.db2.gz BWMKYDWFHAWQSV-GFCCVEGCSA-N 2 1 243.351 -0.360 20 0 BBADMP CC[NH+](CC)CCC[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000375715296 387571795 /nfs/dbraw/zinc/57/17/95/387571795.db2.gz BWMKYDWFHAWQSV-GFCCVEGCSA-N 2 1 243.351 -0.360 20 0 BBADMP CC[NH+](CC)CCC[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000375715297 387571275 /nfs/dbraw/zinc/57/12/75/387571275.db2.gz BWMKYDWFHAWQSV-LBPRGKRZSA-N 2 1 243.351 -0.360 20 0 BBADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000375715297 387571272 /nfs/dbraw/zinc/57/12/72/387571272.db2.gz BWMKYDWFHAWQSV-LBPRGKRZSA-N 2 1 243.351 -0.360 20 0 BBADMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000375931821 387593710 /nfs/dbraw/zinc/59/37/10/387593710.db2.gz KFYDUBBATUZZKH-AXFHLTTASA-N 2 1 239.319 -0.815 20 0 BBADMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000375931825 387595369 /nfs/dbraw/zinc/59/53/69/387595369.db2.gz KFYDUBBATUZZKH-DCAQKATOSA-N 2 1 239.319 -0.815 20 0 BBADMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000375931827 387594621 /nfs/dbraw/zinc/59/46/21/387594621.db2.gz KFYDUBBATUZZKH-MXWKQRLJSA-N 2 1 239.319 -0.815 20 0 BBADMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000375931829 182624394 /nfs/dbraw/zinc/62/43/94/182624394.db2.gz KFYDUBBATUZZKH-VWYCJHECSA-N 2 1 239.319 -0.815 20 0 BBADMP C[C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)[N@@H+](C)C1CC1 ZINC000377274340 387707453 /nfs/dbraw/zinc/70/74/53/387707453.db2.gz YBJCXTVCVIYWKV-INTQDDNPSA-N 2 1 241.335 -0.692 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000377402436 188078684 /nfs/dbraw/zinc/07/86/84/188078684.db2.gz RDCNZMNFMRNDPM-JZYVYDRUSA-N 2 1 211.309 -0.339 20 0 BBADMP C[C@@H](C[NH3+])C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000377588098 397796910 /nfs/dbraw/zinc/79/69/10/397796910.db2.gz NWAXOYMJTYXUQU-BQBZGAKWSA-N 2 1 221.251 -0.353 20 0 BBADMP C[C@@H](C[NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000377588100 397796526 /nfs/dbraw/zinc/79/65/26/397796526.db2.gz NWAXOYMJTYXUQU-NKWVEPMBSA-N 2 1 221.251 -0.353 20 0 BBADMP C[C@H](C[NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000377588101 397796425 /nfs/dbraw/zinc/79/64/25/397796425.db2.gz NWAXOYMJTYXUQU-RNFRBKRXSA-N 2 1 221.251 -0.353 20 0 BBADMP C[C@H](C[NH3+])C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000377588102 397796574 /nfs/dbraw/zinc/79/65/74/397796574.db2.gz NWAXOYMJTYXUQU-RQJHMYQMSA-N 2 1 221.251 -0.353 20 0 BBADMP C[NH2+]C[C@@H](C)C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000377589763 173362432 /nfs/dbraw/zinc/36/24/32/173362432.db2.gz UISCXNLZKHGWDI-HTQZYQBOSA-N 2 1 235.278 -0.093 20 0 BBADMP C[NH2+]C[C@H](C)C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000377589764 173374141 /nfs/dbraw/zinc/37/41/41/173374141.db2.gz UISCXNLZKHGWDI-JGVFFNPUSA-N 2 1 235.278 -0.093 20 0 BBADMP C[NH2+]C[C@@H](C)C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000377589765 173362906 /nfs/dbraw/zinc/36/29/06/173362906.db2.gz UISCXNLZKHGWDI-SFYZADRCSA-N 2 1 235.278 -0.093 20 0 BBADMP C[NH2+]C[C@H](C)C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000377589766 173374298 /nfs/dbraw/zinc/37/42/98/173374298.db2.gz UISCXNLZKHGWDI-YUMQZZPRSA-N 2 1 235.278 -0.093 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]C)C2)C1 ZINC000378181439 170002571 /nfs/dbraw/zinc/00/25/71/170002571.db2.gz FNSZNMDTTKCKBH-GHMZBOCLSA-N 2 1 241.335 -0.473 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]C)C2)C1 ZINC000378181439 170002569 /nfs/dbraw/zinc/00/25/69/170002569.db2.gz FNSZNMDTTKCKBH-GHMZBOCLSA-N 2 1 241.335 -0.473 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]C)C2)C1 ZINC000378181440 170005109 /nfs/dbraw/zinc/00/51/09/170005109.db2.gz FNSZNMDTTKCKBH-MNOVXSKESA-N 2 1 241.335 -0.473 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]C)C2)C1 ZINC000378181440 170005108 /nfs/dbraw/zinc/00/51/08/170005108.db2.gz FNSZNMDTTKCKBH-MNOVXSKESA-N 2 1 241.335 -0.473 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]C)C2)C1 ZINC000378181441 170005517 /nfs/dbraw/zinc/00/55/17/170005517.db2.gz FNSZNMDTTKCKBH-QWRGUYRKSA-N 2 1 241.335 -0.473 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]C)C2)C1 ZINC000378181441 170005515 /nfs/dbraw/zinc/00/55/15/170005515.db2.gz FNSZNMDTTKCKBH-QWRGUYRKSA-N 2 1 241.335 -0.473 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]C)C2)C1 ZINC000378181442 170002698 /nfs/dbraw/zinc/00/26/98/170002698.db2.gz FNSZNMDTTKCKBH-WDEREUQCSA-N 2 1 241.335 -0.473 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]C)C2)C1 ZINC000378181442 170002696 /nfs/dbraw/zinc/00/26/96/170002696.db2.gz FNSZNMDTTKCKBH-WDEREUQCSA-N 2 1 241.335 -0.473 20 0 BBADMP COCCC[N@H+]1CCCN(C(=O)CC[NH3+])CC1 ZINC000378202905 174228481 /nfs/dbraw/zinc/22/84/81/174228481.db2.gz PDVULBAEPGNMQZ-UHFFFAOYSA-N 2 1 243.351 -0.094 20 0 BBADMP COCCC[N@H+]1CCCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000378203361 174227962 /nfs/dbraw/zinc/22/79/62/174227962.db2.gz PWSPQXUGLZKZEJ-LLVKDONJSA-N 2 1 243.351 -0.096 20 0 BBADMP COCCC[N@H+]1CCCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000378203363 174229418 /nfs/dbraw/zinc/22/94/18/174229418.db2.gz PWSPQXUGLZKZEJ-NSHDSACASA-N 2 1 243.351 -0.096 20 0 BBADMP COCCC[N@H+]1CCCN(C(=O)C[NH3+])CC1 ZINC000378203774 174229169 /nfs/dbraw/zinc/22/91/69/174229169.db2.gz RPKVVZLFAKKMNT-UHFFFAOYSA-N 2 1 229.324 -0.484 20 0 BBADMP C[NH2+]CC(=O)N1CCC[N@@H+](CCCOC)CC1 ZINC000378205099 173326055 /nfs/dbraw/zinc/32/60/55/173326055.db2.gz YSKHJEYXWAJWFN-UHFFFAOYSA-N 2 1 243.351 -0.223 20 0 BBADMP C[N@H+]1CC[C@H]2CCN(C(=O)C3C[NH2+]C3)C[C@H]21 ZINC000378640381 173157164 /nfs/dbraw/zinc/15/71/64/173157164.db2.gz VWULGZNUCWSHFL-GXSJLCMTSA-N 2 1 223.320 -0.242 20 0 BBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C3C[NH2+]C3)C[C@@H]21 ZINC000378640382 173127050 /nfs/dbraw/zinc/12/70/50/173127050.db2.gz VWULGZNUCWSHFL-KOLCDFICSA-N 2 1 223.320 -0.242 20 0 BBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C3C[NH2+]C3)C[C@H]21 ZINC000378640383 173127530 /nfs/dbraw/zinc/12/75/30/173127530.db2.gz VWULGZNUCWSHFL-MWLCHTKSSA-N 2 1 223.320 -0.242 20 0 BBADMP C[N@H+]1CC[C@H]2CCN(C(=O)C3C[NH2+]C3)C[C@@H]21 ZINC000378640384 173158477 /nfs/dbraw/zinc/15/84/77/173158477.db2.gz VWULGZNUCWSHFL-ONGXEEELSA-N 2 1 223.320 -0.242 20 0 BBADMP C[C@@H](CC[NH3+])NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000378661870 346800251 /nfs/dbraw/zinc/80/02/51/346800251.db2.gz CBFGHFYXQNJJDR-YIZRAAEISA-N 2 1 215.297 -0.783 20 0 BBADMP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CSC[NH2+]1 ZINC000378717263 385478011 /nfs/dbraw/zinc/47/80/11/385478011.db2.gz CTTBKUOVCZSJLB-BIIVOSGPSA-N 2 1 233.312 -0.535 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000378738880 388494426 /nfs/dbraw/zinc/49/44/26/388494426.db2.gz ODXLXRUGRNSXSA-QYNIQEEDSA-N 2 1 219.235 -0.553 20 0 BBADMP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CSC[NH2+]1 ZINC000378766073 388501152 /nfs/dbraw/zinc/50/11/52/388501152.db2.gz CTTBKUOVCZSJLB-FXQIFTODSA-N 2 1 233.312 -0.535 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000379511808 712386730 /nfs/dbraw/zinc/38/67/30/712386730.db2.gz YUZSULLNFFEBPD-NXEZZACHSA-N 2 1 202.298 -0.336 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000379511818 712386695 /nfs/dbraw/zinc/38/66/95/712386695.db2.gz YUZSULLNFFEBPD-UWVGGRQHSA-N 2 1 202.298 -0.336 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000379511821 712386718 /nfs/dbraw/zinc/38/67/18/712386718.db2.gz YUZSULLNFFEBPD-VHSXEESVSA-N 2 1 202.298 -0.336 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000379511845 712386432 /nfs/dbraw/zinc/38/64/32/712386432.db2.gz YUZSULLNFFEBPD-ZJUUUORDSA-N 2 1 202.298 -0.336 20 0 BBADMP CC[N@@H+](CCOCC[NH3+])CCC(N)=O ZINC000379535755 712387472 /nfs/dbraw/zinc/38/74/72/712387472.db2.gz LPSIEYBAZCNJCD-UHFFFAOYSA-N 2 1 203.286 -0.841 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCCO ZINC000379545269 343573468 /nfs/dbraw/zinc/57/34/68/343573468.db2.gz VVVQDZYJSYAGSY-JTQLQIEISA-N 2 1 204.314 -0.387 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CCCO ZINC000379545269 343573466 /nfs/dbraw/zinc/57/34/66/343573466.db2.gz VVVQDZYJSYAGSY-JTQLQIEISA-N 2 1 204.314 -0.387 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCCO ZINC000379545269 343573464 /nfs/dbraw/zinc/57/34/64/343573464.db2.gz VVVQDZYJSYAGSY-JTQLQIEISA-N 2 1 204.314 -0.387 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CCCO ZINC000379545269 343573462 /nfs/dbraw/zinc/57/34/62/343573462.db2.gz VVVQDZYJSYAGSY-JTQLQIEISA-N 2 1 204.314 -0.387 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCCO ZINC000379545270 343573209 /nfs/dbraw/zinc/57/32/09/343573209.db2.gz VVVQDZYJSYAGSY-SNVBAGLBSA-N 2 1 204.314 -0.387 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCCO ZINC000379545270 343573207 /nfs/dbraw/zinc/57/32/07/343573207.db2.gz VVVQDZYJSYAGSY-SNVBAGLBSA-N 2 1 204.314 -0.387 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCCO ZINC000379545270 343573203 /nfs/dbraw/zinc/57/32/03/343573203.db2.gz VVVQDZYJSYAGSY-SNVBAGLBSA-N 2 1 204.314 -0.387 20 0 BBADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCCO ZINC000379545270 343573201 /nfs/dbraw/zinc/57/32/01/343573201.db2.gz VVVQDZYJSYAGSY-SNVBAGLBSA-N 2 1 204.314 -0.387 20 0 BBADMP C[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000379548128 359547827 /nfs/dbraw/zinc/54/78/27/359547827.db2.gz YMFQKXKQJMAVRY-PSASIEDQSA-N 2 1 202.298 -0.588 20 0 BBADMP C[C@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000379548128 359547825 /nfs/dbraw/zinc/54/78/25/359547825.db2.gz YMFQKXKQJMAVRY-PSASIEDQSA-N 2 1 202.298 -0.588 20 0 BBADMP C[C@H](CO)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000379548128 359547821 /nfs/dbraw/zinc/54/78/21/359547821.db2.gz YMFQKXKQJMAVRY-PSASIEDQSA-N 2 1 202.298 -0.588 20 0 BBADMP C[C@H](CO)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000379548128 359547818 /nfs/dbraw/zinc/54/78/18/359547818.db2.gz YMFQKXKQJMAVRY-PSASIEDQSA-N 2 1 202.298 -0.588 20 0 BBADMP C[C@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000379548129 359547845 /nfs/dbraw/zinc/54/78/45/359547845.db2.gz YMFQKXKQJMAVRY-SCZZXKLOSA-N 2 1 202.298 -0.588 20 0 BBADMP C[C@H](CO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000379548129 359547840 /nfs/dbraw/zinc/54/78/40/359547840.db2.gz YMFQKXKQJMAVRY-SCZZXKLOSA-N 2 1 202.298 -0.588 20 0 BBADMP C[C@H](CO)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000379548129 359547839 /nfs/dbraw/zinc/54/78/39/359547839.db2.gz YMFQKXKQJMAVRY-SCZZXKLOSA-N 2 1 202.298 -0.588 20 0 BBADMP C[C@H](CO)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000379548129 359547838 /nfs/dbraw/zinc/54/78/38/359547838.db2.gz YMFQKXKQJMAVRY-SCZZXKLOSA-N 2 1 202.298 -0.588 20 0 BBADMP C[C@@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000379548130 359548095 /nfs/dbraw/zinc/54/80/95/359548095.db2.gz YMFQKXKQJMAVRY-WCBMZHEXSA-N 2 1 202.298 -0.588 20 0 BBADMP C[C@@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000379548130 359548089 /nfs/dbraw/zinc/54/80/89/359548089.db2.gz YMFQKXKQJMAVRY-WCBMZHEXSA-N 2 1 202.298 -0.588 20 0 BBADMP C[C@@H](CO)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000379548130 359548084 /nfs/dbraw/zinc/54/80/84/359548084.db2.gz YMFQKXKQJMAVRY-WCBMZHEXSA-N 2 1 202.298 -0.588 20 0 BBADMP C[C@@H](CO)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000379548130 359548080 /nfs/dbraw/zinc/54/80/80/359548080.db2.gz YMFQKXKQJMAVRY-WCBMZHEXSA-N 2 1 202.298 -0.588 20 0 BBADMP C[C@@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000379548131 359547743 /nfs/dbraw/zinc/54/77/43/359547743.db2.gz YMFQKXKQJMAVRY-WPRPVWTQSA-N 2 1 202.298 -0.588 20 0 BBADMP C[C@@H](CO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000379548131 359547741 /nfs/dbraw/zinc/54/77/41/359547741.db2.gz YMFQKXKQJMAVRY-WPRPVWTQSA-N 2 1 202.298 -0.588 20 0 BBADMP C[C@@H](CO)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000379548131 359547739 /nfs/dbraw/zinc/54/77/39/359547739.db2.gz YMFQKXKQJMAVRY-WPRPVWTQSA-N 2 1 202.298 -0.588 20 0 BBADMP C[C@@H](CO)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000379548131 359547737 /nfs/dbraw/zinc/54/77/37/359547737.db2.gz YMFQKXKQJMAVRY-WPRPVWTQSA-N 2 1 202.298 -0.588 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)CO ZINC000379608955 343584437 /nfs/dbraw/zinc/58/44/37/343584437.db2.gz RUMPEIISSNJRSH-NXEZZACHSA-N 2 1 204.314 -0.388 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)CO ZINC000379608955 343584436 /nfs/dbraw/zinc/58/44/36/343584436.db2.gz RUMPEIISSNJRSH-NXEZZACHSA-N 2 1 204.314 -0.388 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)CO ZINC000379608955 343584433 /nfs/dbraw/zinc/58/44/33/343584433.db2.gz RUMPEIISSNJRSH-NXEZZACHSA-N 2 1 204.314 -0.388 20 0 BBADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)CO ZINC000379608955 343584431 /nfs/dbraw/zinc/58/44/31/343584431.db2.gz RUMPEIISSNJRSH-NXEZZACHSA-N 2 1 204.314 -0.388 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)CO ZINC000379608965 359566699 /nfs/dbraw/zinc/56/66/99/359566699.db2.gz RUMPEIISSNJRSH-UWVGGRQHSA-N 2 1 204.314 -0.388 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)CO ZINC000379608965 359566692 /nfs/dbraw/zinc/56/66/92/359566692.db2.gz RUMPEIISSNJRSH-UWVGGRQHSA-N 2 1 204.314 -0.388 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)CO ZINC000379608965 359566688 /nfs/dbraw/zinc/56/66/88/359566688.db2.gz RUMPEIISSNJRSH-UWVGGRQHSA-N 2 1 204.314 -0.388 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)CO ZINC000379608965 359566682 /nfs/dbraw/zinc/56/66/82/359566682.db2.gz RUMPEIISSNJRSH-UWVGGRQHSA-N 2 1 204.314 -0.388 20 0 BBADMP CCN(C)C[C@H](O)C[N@@H+](C)[C@@H](C)CO ZINC000379608965 359566678 /nfs/dbraw/zinc/56/66/78/359566678.db2.gz RUMPEIISSNJRSH-UWVGGRQHSA-N 2 1 204.314 -0.388 20 0 BBADMP CCN(C)C[C@H](O)C[N@H+](C)[C@@H](C)CO ZINC000379608965 359566672 /nfs/dbraw/zinc/56/66/72/359566672.db2.gz RUMPEIISSNJRSH-UWVGGRQHSA-N 2 1 204.314 -0.388 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)CO ZINC000379608980 359566380 /nfs/dbraw/zinc/56/63/80/359566380.db2.gz RUMPEIISSNJRSH-VHSXEESVSA-N 2 1 204.314 -0.388 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)CO ZINC000379608980 359566374 /nfs/dbraw/zinc/56/63/74/359566374.db2.gz RUMPEIISSNJRSH-VHSXEESVSA-N 2 1 204.314 -0.388 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)CO ZINC000379608980 359566369 /nfs/dbraw/zinc/56/63/69/359566369.db2.gz RUMPEIISSNJRSH-VHSXEESVSA-N 2 1 204.314 -0.388 20 0 BBADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)CO ZINC000379608980 359566365 /nfs/dbraw/zinc/56/63/65/359566365.db2.gz RUMPEIISSNJRSH-VHSXEESVSA-N 2 1 204.314 -0.388 20 0 BBADMP CCN(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)CO ZINC000379608980 359566359 /nfs/dbraw/zinc/56/63/59/359566359.db2.gz RUMPEIISSNJRSH-VHSXEESVSA-N 2 1 204.314 -0.388 20 0 BBADMP CCN(C)C[C@@H](O)C[N@H+](C)[C@@H](C)CO ZINC000379608980 359566355 /nfs/dbraw/zinc/56/63/55/359566355.db2.gz RUMPEIISSNJRSH-VHSXEESVSA-N 2 1 204.314 -0.388 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)CO ZINC000379608987 343584561 /nfs/dbraw/zinc/58/45/61/343584561.db2.gz RUMPEIISSNJRSH-ZJUUUORDSA-N 2 1 204.314 -0.388 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)CO ZINC000379608987 343584558 /nfs/dbraw/zinc/58/45/58/343584558.db2.gz RUMPEIISSNJRSH-ZJUUUORDSA-N 2 1 204.314 -0.388 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)CO ZINC000379608987 343584555 /nfs/dbraw/zinc/58/45/55/343584555.db2.gz RUMPEIISSNJRSH-ZJUUUORDSA-N 2 1 204.314 -0.388 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)CO ZINC000379608987 343584552 /nfs/dbraw/zinc/58/45/52/343584552.db2.gz RUMPEIISSNJRSH-ZJUUUORDSA-N 2 1 204.314 -0.388 20 0 BBADMP CSC[C@@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000379656221 343589209 /nfs/dbraw/zinc/58/92/09/343589209.db2.gz LAHIREJDRUMXBK-AEJSXWLSSA-N 2 1 216.350 -0.139 20 0 BBADMP CSC[C@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000379656222 343589449 /nfs/dbraw/zinc/58/94/49/343589449.db2.gz LAHIREJDRUMXBK-KXUCPTDWSA-N 2 1 216.350 -0.139 20 0 BBADMP C[C@H](CO)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000379714490 712393096 /nfs/dbraw/zinc/39/30/96/712393096.db2.gz PHBMFVMWEJEGGI-GHMZBOCLSA-N 2 1 216.325 -0.244 20 0 BBADMP C[C@H](CO)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000379714490 712393095 /nfs/dbraw/zinc/39/30/95/712393095.db2.gz PHBMFVMWEJEGGI-GHMZBOCLSA-N 2 1 216.325 -0.244 20 0 BBADMP C[C@H](CO)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000379714491 712393004 /nfs/dbraw/zinc/39/30/04/712393004.db2.gz PHBMFVMWEJEGGI-MNOVXSKESA-N 2 1 216.325 -0.244 20 0 BBADMP C[C@H](CO)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000379714491 712393003 /nfs/dbraw/zinc/39/30/03/712393003.db2.gz PHBMFVMWEJEGGI-MNOVXSKESA-N 2 1 216.325 -0.244 20 0 BBADMP C[C@@H](CO)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000379714493 711808605 /nfs/dbraw/zinc/80/86/05/711808605.db2.gz PHBMFVMWEJEGGI-QWRGUYRKSA-N 2 1 216.325 -0.244 20 0 BBADMP C[C@@H](CO)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000379714498 712393130 /nfs/dbraw/zinc/39/31/30/712393130.db2.gz PHBMFVMWEJEGGI-WDEREUQCSA-N 2 1 216.325 -0.244 20 0 BBADMP C[C@@H](CO)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000379714498 712393129 /nfs/dbraw/zinc/39/31/29/712393129.db2.gz PHBMFVMWEJEGGI-WDEREUQCSA-N 2 1 216.325 -0.244 20 0 BBADMP [NH3+]CCCCC(=O)NCC(F)(F)C[NH3+] ZINC000379779059 365254612 /nfs/dbraw/zinc/25/46/12/365254612.db2.gz FFAQUZCNVLAIKM-UHFFFAOYSA-N 2 1 209.240 -0.174 20 0 BBADMP C[NH2+][C@@H](C)C(=O)NCCn1cc[nH+]c1C ZINC000379790382 365272178 /nfs/dbraw/zinc/27/21/78/365272178.db2.gz JBAUKESVSSDANG-QMMMGPOBSA-N 2 1 210.281 -0.084 20 0 BBADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCNC(=O)C2)C1 ZINC000379816939 712611623 /nfs/dbraw/zinc/61/16/23/712611623.db2.gz RUKXTHBYSDYCLT-VHSXEESVSA-N 2 1 211.309 -0.064 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@@H]1C ZINC000379849307 487850068 /nfs/dbraw/zinc/85/00/68/487850068.db2.gz AFPVRXAFRLRZKB-AXFHLTTASA-N 2 1 216.325 -0.246 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000379849307 487850065 /nfs/dbraw/zinc/85/00/65/487850065.db2.gz AFPVRXAFRLRZKB-AXFHLTTASA-N 2 1 216.325 -0.246 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@@H]1C ZINC000379849307 487850058 /nfs/dbraw/zinc/85/00/58/487850058.db2.gz AFPVRXAFRLRZKB-AXFHLTTASA-N 2 1 216.325 -0.246 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@@H]1C ZINC000379849307 487850047 /nfs/dbraw/zinc/85/00/47/487850047.db2.gz AFPVRXAFRLRZKB-AXFHLTTASA-N 2 1 216.325 -0.246 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000379849316 488153334 /nfs/dbraw/zinc/15/33/34/488153334.db2.gz AFPVRXAFRLRZKB-DCAQKATOSA-N 2 1 216.325 -0.246 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000379849316 488153331 /nfs/dbraw/zinc/15/33/31/488153331.db2.gz AFPVRXAFRLRZKB-DCAQKATOSA-N 2 1 216.325 -0.246 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@@H]1C ZINC000379849316 488153328 /nfs/dbraw/zinc/15/33/28/488153328.db2.gz AFPVRXAFRLRZKB-DCAQKATOSA-N 2 1 216.325 -0.246 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@@H]1C ZINC000379849316 488153326 /nfs/dbraw/zinc/15/33/26/488153326.db2.gz AFPVRXAFRLRZKB-DCAQKATOSA-N 2 1 216.325 -0.246 20 0 BBADMP CCN(C)C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000379849316 488153320 /nfs/dbraw/zinc/15/33/20/488153320.db2.gz AFPVRXAFRLRZKB-DCAQKATOSA-N 2 1 216.325 -0.246 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1C[C@@H](O)C[C@@H]1C ZINC000379849316 488153317 /nfs/dbraw/zinc/15/33/17/488153317.db2.gz AFPVRXAFRLRZKB-DCAQKATOSA-N 2 1 216.325 -0.246 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@H]1C ZINC000379849319 488153589 /nfs/dbraw/zinc/15/35/89/488153589.db2.gz AFPVRXAFRLRZKB-MXWKQRLJSA-N 2 1 216.325 -0.246 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000379849319 488153586 /nfs/dbraw/zinc/15/35/86/488153586.db2.gz AFPVRXAFRLRZKB-MXWKQRLJSA-N 2 1 216.325 -0.246 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@H]1C ZINC000379849319 488153581 /nfs/dbraw/zinc/15/35/81/488153581.db2.gz AFPVRXAFRLRZKB-MXWKQRLJSA-N 2 1 216.325 -0.246 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@H]1C ZINC000379849319 488153577 /nfs/dbraw/zinc/15/35/77/488153577.db2.gz AFPVRXAFRLRZKB-MXWKQRLJSA-N 2 1 216.325 -0.246 20 0 BBADMP CCN(C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000379849319 488153570 /nfs/dbraw/zinc/15/35/70/488153570.db2.gz AFPVRXAFRLRZKB-MXWKQRLJSA-N 2 1 216.325 -0.246 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1C[C@H](O)C[C@H]1C ZINC000379849319 488153565 /nfs/dbraw/zinc/15/35/65/488153565.db2.gz AFPVRXAFRLRZKB-MXWKQRLJSA-N 2 1 216.325 -0.246 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000379849324 488153556 /nfs/dbraw/zinc/15/35/56/488153556.db2.gz AFPVRXAFRLRZKB-VWYCJHECSA-N 2 1 216.325 -0.246 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000379849324 488153551 /nfs/dbraw/zinc/15/35/51/488153551.db2.gz AFPVRXAFRLRZKB-VWYCJHECSA-N 2 1 216.325 -0.246 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@H]1C ZINC000379849324 488153547 /nfs/dbraw/zinc/15/35/47/488153547.db2.gz AFPVRXAFRLRZKB-VWYCJHECSA-N 2 1 216.325 -0.246 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@H]1C ZINC000379849324 488153544 /nfs/dbraw/zinc/15/35/44/488153544.db2.gz AFPVRXAFRLRZKB-VWYCJHECSA-N 2 1 216.325 -0.246 20 0 BBADMP CCN(C)C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000379849324 488153535 /nfs/dbraw/zinc/15/35/35/488153535.db2.gz AFPVRXAFRLRZKB-VWYCJHECSA-N 2 1 216.325 -0.246 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1C[C@@H](O)C[C@H]1C ZINC000379849324 488153531 /nfs/dbraw/zinc/15/35/31/488153531.db2.gz AFPVRXAFRLRZKB-VWYCJHECSA-N 2 1 216.325 -0.246 20 0 BBADMP C[NH2+][C@@H](C)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000379856667 712617455 /nfs/dbraw/zinc/61/74/55/712617455.db2.gz ICAICLPNQGIEKW-DCAQKATOSA-N 2 1 241.335 -0.426 20 0 BBADMP C[C@@H]1CN(CCOCC[NH3+])CC[C@H]1[NH3+] ZINC000379877010 365335454 /nfs/dbraw/zinc/33/54/54/365335454.db2.gz APWGKIZFTZJQFG-NXEZZACHSA-N 2 1 201.314 -0.369 20 0 BBADMP C[C@@H]1C[N@@H+](CCOCC[NH3+])CC[C@H]1[NH3+] ZINC000379877010 365335449 /nfs/dbraw/zinc/33/54/49/365335449.db2.gz APWGKIZFTZJQFG-NXEZZACHSA-N 3 1 201.314 -0.369 20 0 BBADMP C[C@H]1CN(CCOCC[NH3+])CC[C@@H]1[NH3+] ZINC000379877014 365334872 /nfs/dbraw/zinc/33/48/72/365334872.db2.gz APWGKIZFTZJQFG-UWVGGRQHSA-N 2 1 201.314 -0.369 20 0 BBADMP C[C@H]1C[N@@H+](CCOCC[NH3+])CC[C@@H]1[NH3+] ZINC000379877014 365334867 /nfs/dbraw/zinc/33/48/67/365334867.db2.gz APWGKIZFTZJQFG-UWVGGRQHSA-N 3 1 201.314 -0.369 20 0 BBADMP C[C@H]1CN(CCOCC[NH3+])CC[C@H]1[NH3+] ZINC000379877015 365334921 /nfs/dbraw/zinc/33/49/21/365334921.db2.gz APWGKIZFTZJQFG-VHSXEESVSA-N 2 1 201.314 -0.369 20 0 BBADMP C[C@H]1C[N@@H+](CCOCC[NH3+])CC[C@H]1[NH3+] ZINC000379877015 365334917 /nfs/dbraw/zinc/33/49/17/365334917.db2.gz APWGKIZFTZJQFG-VHSXEESVSA-N 3 1 201.314 -0.369 20 0 BBADMP C[C@@H]1CN(CCOCC[NH3+])CC[C@@H]1[NH3+] ZINC000379877017 365334661 /nfs/dbraw/zinc/33/46/61/365334661.db2.gz APWGKIZFTZJQFG-ZJUUUORDSA-N 2 1 201.314 -0.369 20 0 BBADMP C[C@@H]1C[N@@H+](CCOCC[NH3+])CC[C@@H]1[NH3+] ZINC000379877017 365334658 /nfs/dbraw/zinc/33/46/58/365334658.db2.gz APWGKIZFTZJQFG-ZJUUUORDSA-N 3 1 201.314 -0.369 20 0 BBADMP C[C@H](C(N)=O)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000379891889 712621045 /nfs/dbraw/zinc/62/10/45/712621045.db2.gz AXISNACVGIJQOX-KXUCPTDWSA-N 2 1 211.309 -0.256 20 0 BBADMP C[C@H](C(N)=O)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000379891889 712621044 /nfs/dbraw/zinc/62/10/44/712621044.db2.gz AXISNACVGIJQOX-KXUCPTDWSA-N 2 1 211.309 -0.256 20 0 BBADMP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000379891889 712621043 /nfs/dbraw/zinc/62/10/43/712621043.db2.gz AXISNACVGIJQOX-KXUCPTDWSA-N 2 1 211.309 -0.256 20 0 BBADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)CO)C[C@@H]2C1 ZINC000379894258 712621235 /nfs/dbraw/zinc/62/12/35/712621235.db2.gz BLYKKSSAZZYQKG-OUAUKWLOSA-N 2 1 214.309 -0.777 20 0 BBADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)CO)C[C@@H]2C1 ZINC000379894258 712621234 /nfs/dbraw/zinc/62/12/34/712621234.db2.gz BLYKKSSAZZYQKG-OUAUKWLOSA-N 2 1 214.309 -0.777 20 0 BBADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)CO)C[C@@H]2C1 ZINC000379894258 712621233 /nfs/dbraw/zinc/62/12/33/712621233.db2.gz BLYKKSSAZZYQKG-OUAUKWLOSA-N 2 1 214.309 -0.777 20 0 BBADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)CO)C[C@@H]2C1 ZINC000379894259 712621249 /nfs/dbraw/zinc/62/12/49/712621249.db2.gz BLYKKSSAZZYQKG-VWYCJHECSA-N 2 1 214.309 -0.777 20 0 BBADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)CO)C[C@@H]2C1 ZINC000379894259 712621248 /nfs/dbraw/zinc/62/12/48/712621248.db2.gz BLYKKSSAZZYQKG-VWYCJHECSA-N 2 1 214.309 -0.777 20 0 BBADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)CO)C[C@@H]2C1 ZINC000379894259 712621247 /nfs/dbraw/zinc/62/12/47/712621247.db2.gz BLYKKSSAZZYQKG-VWYCJHECSA-N 2 1 214.309 -0.777 20 0 BBADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000379905154 712622787 /nfs/dbraw/zinc/62/27/87/712622787.db2.gz JTTFUIAUXJFQMZ-IVZWLZJFSA-N 2 1 211.309 -0.208 20 0 BBADMP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000379905154 712622786 /nfs/dbraw/zinc/62/27/86/712622786.db2.gz JTTFUIAUXJFQMZ-IVZWLZJFSA-N 2 1 211.309 -0.208 20 0 BBADMP CC(C)([NH3+])CC(=O)NCC(F)(F)C[NH3+] ZINC000379905506 398242398 /nfs/dbraw/zinc/24/23/98/398242398.db2.gz HWQWQXNQRFWABH-UHFFFAOYSA-N 2 1 209.240 -0.176 20 0 BBADMP COC[C@H](C)C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000379951393 365761110 /nfs/dbraw/zinc/76/11/10/365761110.db2.gz TVBOEVBPJHOIME-GHMZBOCLSA-N 2 1 216.325 -0.075 20 0 BBADMP COC[C@H](C)C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000379951393 365761101 /nfs/dbraw/zinc/76/11/01/365761101.db2.gz TVBOEVBPJHOIME-GHMZBOCLSA-N 2 1 216.325 -0.075 20 0 BBADMP COC[C@H](C)C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000379951395 365761601 /nfs/dbraw/zinc/76/16/01/365761601.db2.gz TVBOEVBPJHOIME-MNOVXSKESA-N 2 1 216.325 -0.075 20 0 BBADMP COC[C@H](C)C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000379951395 365761595 /nfs/dbraw/zinc/76/15/95/365761595.db2.gz TVBOEVBPJHOIME-MNOVXSKESA-N 2 1 216.325 -0.075 20 0 BBADMP COC[C@@H](C)C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000379951398 365760910 /nfs/dbraw/zinc/76/09/10/365760910.db2.gz TVBOEVBPJHOIME-QWRGUYRKSA-N 2 1 216.325 -0.075 20 0 BBADMP COC[C@@H](C)C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000379951398 365760904 /nfs/dbraw/zinc/76/09/04/365760904.db2.gz TVBOEVBPJHOIME-QWRGUYRKSA-N 2 1 216.325 -0.075 20 0 BBADMP COC[C@@H](C)C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000379951400 365761851 /nfs/dbraw/zinc/76/18/51/365761851.db2.gz TVBOEVBPJHOIME-WDEREUQCSA-N 2 1 216.325 -0.075 20 0 BBADMP COC[C@@H](C)C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000379951400 365761845 /nfs/dbraw/zinc/76/18/45/365761845.db2.gz TVBOEVBPJHOIME-WDEREUQCSA-N 2 1 216.325 -0.075 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC([NH3+])CC1 ZINC000379959479 712636597 /nfs/dbraw/zinc/63/65/97/712636597.db2.gz KNGXYGYENFBMIH-GFCCVEGCSA-N 2 1 245.367 -0.651 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC([NH3+])CC1 ZINC000379959481 712636675 /nfs/dbraw/zinc/63/66/75/712636675.db2.gz KNGXYGYENFBMIH-LBPRGKRZSA-N 2 1 245.367 -0.651 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@@H](C)CO ZINC000379962065 365765965 /nfs/dbraw/zinc/76/59/65/365765965.db2.gz HEUWXGONXQKRLR-GARJFASQSA-N 2 1 218.341 -0.095 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@H](C)CO ZINC000379962070 365765728 /nfs/dbraw/zinc/76/57/28/365765728.db2.gz HEUWXGONXQKRLR-GMTAPVOTSA-N 2 1 218.341 -0.095 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@@H](C)CO ZINC000379962085 365767293 /nfs/dbraw/zinc/76/72/93/365767293.db2.gz HEUWXGONXQKRLR-HBNTYKKESA-N 2 1 218.341 -0.095 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@H](C)CO ZINC000379962090 365767143 /nfs/dbraw/zinc/76/71/43/365767143.db2.gz HEUWXGONXQKRLR-OUAUKWLOSA-N 2 1 218.341 -0.095 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H](O)C[C@@H]1C ZINC000379984574 365780410 /nfs/dbraw/zinc/78/04/10/365780410.db2.gz KABUGWUZNIZANF-SRVKXCTJSA-N 2 1 246.351 -0.619 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@H](O)C[C@@H]1C ZINC000379984575 365779371 /nfs/dbraw/zinc/77/93/71/365779371.db2.gz KABUGWUZNIZANF-TUAOUCFPSA-N 2 1 246.351 -0.619 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@H](O)C[C@H]1C ZINC000379984576 365779748 /nfs/dbraw/zinc/77/97/48/365779748.db2.gz KABUGWUZNIZANF-UTUOFQBUSA-N 2 1 246.351 -0.619 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H](O)C[C@H]1C ZINC000379984577 365779500 /nfs/dbraw/zinc/77/95/00/365779500.db2.gz KABUGWUZNIZANF-WOPDTQHZSA-N 2 1 246.351 -0.619 20 0 BBADMP CC[NH2+]Cc1cn(C[C@H](O)C[N@@H+](C)CC)nn1 ZINC000380046373 398184309 /nfs/dbraw/zinc/18/43/09/398184309.db2.gz UBZVZIFYEKCRPQ-LLVKDONJSA-N 2 1 241.339 -0.300 20 0 BBADMP CC[NH2+]Cc1cn(C[C@@H](O)C[N@@H+](C)CC)nn1 ZINC000380046376 398184295 /nfs/dbraw/zinc/18/42/95/398184295.db2.gz UBZVZIFYEKCRPQ-NSHDSACASA-N 2 1 241.339 -0.300 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN(C)[C@@H]1CC[NH2+]C1 ZINC000380064414 712684470 /nfs/dbraw/zinc/68/44/70/712684470.db2.gz PCPYNWWUZKGSIB-NEPJUHHUSA-N 2 1 245.367 -0.781 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CN(C)[C@H]1CC[NH2+]C1 ZINC000380064415 712684472 /nfs/dbraw/zinc/68/44/72/712684472.db2.gz PCPYNWWUZKGSIB-NWDGAFQWSA-N 2 1 245.367 -0.781 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN(C)[C@H]1CC[NH2+]C1 ZINC000380064416 712684464 /nfs/dbraw/zinc/68/44/64/712684464.db2.gz PCPYNWWUZKGSIB-RYUDHWBXSA-N 2 1 245.367 -0.781 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CN(C)[C@@H]1CC[NH2+]C1 ZINC000380064417 712684530 /nfs/dbraw/zinc/68/45/30/712684530.db2.gz PCPYNWWUZKGSIB-VXGBXAGGSA-N 2 1 245.367 -0.781 20 0 BBADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCN3C(=O)NC[C@H]3C2)C1 ZINC000380065259 712684505 /nfs/dbraw/zinc/68/45/05/712684505.db2.gz YYOBEHGZFGQAQS-AXFHLTTASA-N 2 1 238.335 -0.177 20 0 BBADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCN3C(=O)NC[C@@H]3C2)C1 ZINC000380065270 712684571 /nfs/dbraw/zinc/68/45/71/712684571.db2.gz YYOBEHGZFGQAQS-HBNTYKKESA-N 2 1 238.335 -0.177 20 0 BBADMP CC(C)(C[NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000380096287 343678205 /nfs/dbraw/zinc/67/82/05/343678205.db2.gz OLFRKALVZVIWKG-UHFFFAOYSA-N 2 1 209.240 -0.319 20 0 BBADMP C[C@H]([NH3+])CCC(=O)NCC(F)(F)C[NH3+] ZINC000380096628 365877692 /nfs/dbraw/zinc/87/76/92/365877692.db2.gz KMVSPVQMITWDTL-LURJTMIESA-N 2 1 209.240 -0.176 20 0 BBADMP C[C@@H]([NH3+])CCC(=O)NCC(F)(F)C[NH3+] ZINC000380096631 365877429 /nfs/dbraw/zinc/87/74/29/365877429.db2.gz KMVSPVQMITWDTL-ZCFIWIBFSA-N 2 1 209.240 -0.176 20 0 BBADMP CC[C@@H](O)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000380104005 398244221 /nfs/dbraw/zinc/24/42/21/398244221.db2.gz QHRQTBPJFJEEPU-GHMZBOCLSA-N 2 1 216.325 -0.198 20 0 BBADMP CC[C@@H](O)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000380104005 398244219 /nfs/dbraw/zinc/24/42/19/398244219.db2.gz QHRQTBPJFJEEPU-GHMZBOCLSA-N 2 1 216.325 -0.198 20 0 BBADMP CC[C@@H](O)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000380104011 398244187 /nfs/dbraw/zinc/24/41/87/398244187.db2.gz QHRQTBPJFJEEPU-MNOVXSKESA-N 2 1 216.325 -0.198 20 0 BBADMP CC[C@@H](O)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000380104011 398244184 /nfs/dbraw/zinc/24/41/84/398244184.db2.gz QHRQTBPJFJEEPU-MNOVXSKESA-N 2 1 216.325 -0.198 20 0 BBADMP CC[C@H](O)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000380104013 343096345 /nfs/dbraw/zinc/09/63/45/343096345.db2.gz QHRQTBPJFJEEPU-QWRGUYRKSA-N 2 1 216.325 -0.198 20 0 BBADMP CC[C@H](O)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000380104013 343096343 /nfs/dbraw/zinc/09/63/43/343096343.db2.gz QHRQTBPJFJEEPU-QWRGUYRKSA-N 2 1 216.325 -0.198 20 0 BBADMP CC[C@H](O)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000380104016 365880976 /nfs/dbraw/zinc/88/09/76/365880976.db2.gz QHRQTBPJFJEEPU-WDEREUQCSA-N 2 1 216.325 -0.198 20 0 BBADMP CC[C@H](O)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000380104016 365880972 /nfs/dbraw/zinc/88/09/72/365880972.db2.gz QHRQTBPJFJEEPU-WDEREUQCSA-N 2 1 216.325 -0.198 20 0 BBADMP CNS(=O)(=O)CCC[N@@H+](C)CCC[NH3+] ZINC000380111533 398187440 /nfs/dbraw/zinc/18/74/40/398187440.db2.gz OHGDHKTZYAGSCQ-UHFFFAOYSA-N 2 1 223.342 -0.794 20 0 BBADMP C[C@@H]([NH3+])[C@H](C)C(=O)NCC(F)(F)C[NH3+] ZINC000380130701 343681923 /nfs/dbraw/zinc/68/19/23/343681923.db2.gz STGQEJKCZSYXSE-NTSWFWBYSA-N 2 1 209.240 -0.320 20 0 BBADMP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC(F)(F)C[NH3+] ZINC000380130703 343681868 /nfs/dbraw/zinc/68/18/68/343681868.db2.gz STGQEJKCZSYXSE-PHDIDXHHSA-N 2 1 209.240 -0.320 20 0 BBADMP C[C@@H](C(=O)NCC(F)(F)C[NH3+])[C@H](C)[NH3+] ZINC000380130704 343681978 /nfs/dbraw/zinc/68/19/78/343681978.db2.gz STGQEJKCZSYXSE-RITPCOANSA-N 2 1 209.240 -0.320 20 0 BBADMP C[C@H]([NH3+])[C@H](C)C(=O)NCC(F)(F)C[NH3+] ZINC000380130705 343681848 /nfs/dbraw/zinc/68/18/48/343681848.db2.gz STGQEJKCZSYXSE-WDSKDSINSA-N 2 1 209.240 -0.320 20 0 BBADMP C[NH2+]CCNC(=O)c1csc(C[NH3+])n1 ZINC000380215031 347224199 /nfs/dbraw/zinc/22/41/99/347224199.db2.gz HYRMSIYWYUNDCU-UHFFFAOYSA-N 2 1 214.294 -0.449 20 0 BBADMP C[N@@H+](CCOCC[NH3+])[C@@H](C[NH3+])C1CC1 ZINC000380272403 345254397 /nfs/dbraw/zinc/25/43/97/345254397.db2.gz WSZSRVQEOMXHRP-JTQLQIEISA-N 3 1 201.314 -0.369 20 0 BBADMP C[N@H+](CCOCC[NH3+])[C@@H](C[NH3+])C1CC1 ZINC000380272403 345254396 /nfs/dbraw/zinc/25/43/96/345254396.db2.gz WSZSRVQEOMXHRP-JTQLQIEISA-N 3 1 201.314 -0.369 20 0 BBADMP C[N@@H+](CCOCC[NH3+])[C@@H](CN)C1CC1 ZINC000380272403 345254395 /nfs/dbraw/zinc/25/43/95/345254395.db2.gz WSZSRVQEOMXHRP-JTQLQIEISA-N 2 1 201.314 -0.369 20 0 BBADMP C[N@H+](CCOCC[NH3+])[C@@H](CN)C1CC1 ZINC000380272403 345254394 /nfs/dbraw/zinc/25/43/94/345254394.db2.gz WSZSRVQEOMXHRP-JTQLQIEISA-N 2 1 201.314 -0.369 20 0 BBADMP C[N@@H+](CCOCC[NH3+])[C@H](C[NH3+])C1CC1 ZINC000380272405 345254490 /nfs/dbraw/zinc/25/44/90/345254490.db2.gz WSZSRVQEOMXHRP-SNVBAGLBSA-N 3 1 201.314 -0.369 20 0 BBADMP C[N@H+](CCOCC[NH3+])[C@H](C[NH3+])C1CC1 ZINC000380272405 345254489 /nfs/dbraw/zinc/25/44/89/345254489.db2.gz WSZSRVQEOMXHRP-SNVBAGLBSA-N 3 1 201.314 -0.369 20 0 BBADMP C[N@@H+](CCOCC[NH3+])[C@H](CN)C1CC1 ZINC000380272405 345254488 /nfs/dbraw/zinc/25/44/88/345254488.db2.gz WSZSRVQEOMXHRP-SNVBAGLBSA-N 2 1 201.314 -0.369 20 0 BBADMP C[N@H+](CCOCC[NH3+])[C@H](CN)C1CC1 ZINC000380272405 345254486 /nfs/dbraw/zinc/25/44/86/345254486.db2.gz WSZSRVQEOMXHRP-SNVBAGLBSA-N 2 1 201.314 -0.369 20 0 BBADMP C[NH2+]C[C@@H]1CCN(CCOCC[NH3+])C1 ZINC000380313737 346319800 /nfs/dbraw/zinc/31/98/00/346319800.db2.gz IBGYOPDGUNHZLM-JTQLQIEISA-N 2 1 201.314 -0.497 20 0 BBADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000380313737 346319798 /nfs/dbraw/zinc/31/97/98/346319798.db2.gz IBGYOPDGUNHZLM-JTQLQIEISA-N 3 1 201.314 -0.497 20 0 BBADMP C[NH2+]C[C@H]1CCN(CCOCC[NH3+])C1 ZINC000380313738 346319938 /nfs/dbraw/zinc/31/99/38/346319938.db2.gz IBGYOPDGUNHZLM-SNVBAGLBSA-N 2 1 201.314 -0.497 20 0 BBADMP C[NH2+]C[C@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000380313738 346319936 /nfs/dbraw/zinc/31/99/36/346319936.db2.gz IBGYOPDGUNHZLM-SNVBAGLBSA-N 3 1 201.314 -0.497 20 0 BBADMP CN1CC[C@](O)(C[NH2+]Cc2cn[nH]c2)C1 ZINC000380344276 538989060 /nfs/dbraw/zinc/98/90/60/538989060.db2.gz SPLFPMXGJNMANX-JTQLQIEISA-N 2 1 210.281 -0.434 20 0 BBADMP CN1CC[C@@](O)(C[NH2+]Cc2cn[nH]c2)C1 ZINC000380344281 538989387 /nfs/dbraw/zinc/98/93/87/538989387.db2.gz SPLFPMXGJNMANX-SNVBAGLBSA-N 2 1 210.281 -0.434 20 0 BBADMP C[C@@H]1C[C@H](O)C[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000380454163 712901029 /nfs/dbraw/zinc/90/10/29/712901029.db2.gz BIRKCDPFAWFKBV-GRYCIOLGSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@@H]1C[C@H](O)C[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000380454163 712901028 /nfs/dbraw/zinc/90/10/28/712901028.db2.gz BIRKCDPFAWFKBV-GRYCIOLGSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@@H]1C[C@@H](O)C[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000380454164 712900849 /nfs/dbraw/zinc/90/08/49/712900849.db2.gz BIRKCDPFAWFKBV-IJLUTSLNSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000380454164 712900848 /nfs/dbraw/zinc/90/08/48/712900848.db2.gz BIRKCDPFAWFKBV-IJLUTSLNSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@@H]1C[C@@H](O)C[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000380454165 712901082 /nfs/dbraw/zinc/90/10/82/712901082.db2.gz BIRKCDPFAWFKBV-UTUOFQBUSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000380454165 712901081 /nfs/dbraw/zinc/90/10/81/712901081.db2.gz BIRKCDPFAWFKBV-UTUOFQBUSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@@H]1C[C@H](O)C[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000380454166 712900923 /nfs/dbraw/zinc/90/09/23/712900923.db2.gz BIRKCDPFAWFKBV-WOPDTQHZSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000380454166 712900922 /nfs/dbraw/zinc/90/09/22/712900922.db2.gz BIRKCDPFAWFKBV-WOPDTQHZSA-N 2 1 228.336 -0.102 20 0 BBADMP OC[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000380454271 712900889 /nfs/dbraw/zinc/90/08/89/712900889.db2.gz DDJBLTQRUTYWTR-NWDGAFQWSA-N 2 1 228.336 -0.100 20 0 BBADMP OC[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000380454271 712900888 /nfs/dbraw/zinc/90/08/88/712900888.db2.gz DDJBLTQRUTYWTR-NWDGAFQWSA-N 2 1 228.336 -0.100 20 0 BBADMP OC[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000380454272 712901057 /nfs/dbraw/zinc/90/10/57/712901057.db2.gz DDJBLTQRUTYWTR-RYUDHWBXSA-N 2 1 228.336 -0.100 20 0 BBADMP OC[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000380454272 712901056 /nfs/dbraw/zinc/90/10/56/712901056.db2.gz DDJBLTQRUTYWTR-RYUDHWBXSA-N 2 1 228.336 -0.100 20 0 BBADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000380454278 712901021 /nfs/dbraw/zinc/90/10/21/712901021.db2.gz DEFBFTBBWSWYKE-GFCCVEGCSA-N 2 1 229.368 -0.065 20 0 BBADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[NH+](C)CC1 ZINC000380454805 712901119 /nfs/dbraw/zinc/90/11/19/712901119.db2.gz DEFBFTBBWSWYKE-LBPRGKRZSA-N 2 1 229.368 -0.065 20 0 BBADMP OC[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000380456459 712900852 /nfs/dbraw/zinc/90/08/52/712900852.db2.gz LEKMKLGJQMGPDO-NEPJUHHUSA-N 2 1 228.336 -0.243 20 0 BBADMP OC[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000380456459 712900851 /nfs/dbraw/zinc/90/08/51/712900851.db2.gz LEKMKLGJQMGPDO-NEPJUHHUSA-N 2 1 228.336 -0.243 20 0 BBADMP OC[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000380456461 712900862 /nfs/dbraw/zinc/90/08/62/712900862.db2.gz LEKMKLGJQMGPDO-NWDGAFQWSA-N 2 1 228.336 -0.243 20 0 BBADMP OC[C@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000380456461 712900861 /nfs/dbraw/zinc/90/08/61/712900861.db2.gz LEKMKLGJQMGPDO-NWDGAFQWSA-N 2 1 228.336 -0.243 20 0 BBADMP OC[C@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000380456469 712900812 /nfs/dbraw/zinc/90/08/12/712900812.db2.gz LEKMKLGJQMGPDO-RYUDHWBXSA-N 2 1 228.336 -0.243 20 0 BBADMP OC[C@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000380456469 712900811 /nfs/dbraw/zinc/90/08/11/712900811.db2.gz LEKMKLGJQMGPDO-RYUDHWBXSA-N 2 1 228.336 -0.243 20 0 BBADMP OC[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000380456471 712900965 /nfs/dbraw/zinc/90/09/65/712900965.db2.gz LEKMKLGJQMGPDO-VXGBXAGGSA-N 2 1 228.336 -0.243 20 0 BBADMP OC[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000380456471 712900964 /nfs/dbraw/zinc/90/09/64/712900964.db2.gz LEKMKLGJQMGPDO-VXGBXAGGSA-N 2 1 228.336 -0.243 20 0 BBADMP C[C@]1(O)CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000380458440 712900931 /nfs/dbraw/zinc/90/09/31/712900931.db2.gz UKPGVYYXNRSRMA-NEPJUHHUSA-N 2 1 228.336 -0.100 20 0 BBADMP C[C@]1(O)CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000380458440 712900930 /nfs/dbraw/zinc/90/09/30/712900930.db2.gz UKPGVYYXNRSRMA-NEPJUHHUSA-N 2 1 228.336 -0.100 20 0 BBADMP C[C@@]1(O)CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000380458442 712900991 /nfs/dbraw/zinc/90/09/91/712900991.db2.gz UKPGVYYXNRSRMA-NWDGAFQWSA-N 2 1 228.336 -0.100 20 0 BBADMP C[C@@]1(O)CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000380458442 712900990 /nfs/dbraw/zinc/90/09/90/712900990.db2.gz UKPGVYYXNRSRMA-NWDGAFQWSA-N 2 1 228.336 -0.100 20 0 BBADMP C[C@]1(O)CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000380458443 712901069 /nfs/dbraw/zinc/90/10/69/712901069.db2.gz UKPGVYYXNRSRMA-RYUDHWBXSA-N 2 1 228.336 -0.100 20 0 BBADMP C[C@]1(O)CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000380458443 712901068 /nfs/dbraw/zinc/90/10/68/712901068.db2.gz UKPGVYYXNRSRMA-RYUDHWBXSA-N 2 1 228.336 -0.100 20 0 BBADMP C[C@@]1(O)CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000380458445 712900975 /nfs/dbraw/zinc/90/09/75/712900975.db2.gz UKPGVYYXNRSRMA-VXGBXAGGSA-N 2 1 228.336 -0.100 20 0 BBADMP C[C@@]1(O)CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000380458445 712900974 /nfs/dbraw/zinc/90/09/74/712900974.db2.gz UKPGVYYXNRSRMA-VXGBXAGGSA-N 2 1 228.336 -0.100 20 0 BBADMP CN(C)S(=O)(=O)CC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000380578009 712901550 /nfs/dbraw/zinc/90/15/50/712901550.db2.gz PJSVPLVGGHHPLR-JTQLQIEISA-N 2 1 249.380 -0.452 20 0 BBADMP CN(C)S(=O)(=O)CC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000380578020 712901649 /nfs/dbraw/zinc/90/16/49/712901649.db2.gz PJSVPLVGGHHPLR-SNVBAGLBSA-N 2 1 249.380 -0.452 20 0 BBADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCS(=O)(=O)N(C)C ZINC000380593520 373317647 /nfs/dbraw/zinc/31/76/47/373317647.db2.gz STDNFSSRDWAJAH-NXEZZACHSA-N 2 1 249.380 -0.453 20 0 BBADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCS(=O)(=O)N(C)C ZINC000380593520 373317641 /nfs/dbraw/zinc/31/76/41/373317641.db2.gz STDNFSSRDWAJAH-NXEZZACHSA-N 2 1 249.380 -0.453 20 0 BBADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCS(=O)(=O)N(C)C ZINC000380593524 373317746 /nfs/dbraw/zinc/31/77/46/373317746.db2.gz STDNFSSRDWAJAH-UWVGGRQHSA-N 2 1 249.380 -0.453 20 0 BBADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCS(=O)(=O)N(C)C ZINC000380593524 373317739 /nfs/dbraw/zinc/31/77/39/373317739.db2.gz STDNFSSRDWAJAH-UWVGGRQHSA-N 2 1 249.380 -0.453 20 0 BBADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCS(=O)(=O)N(C)C ZINC000380593530 373317293 /nfs/dbraw/zinc/31/72/93/373317293.db2.gz STDNFSSRDWAJAH-VHSXEESVSA-N 2 1 249.380 -0.453 20 0 BBADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCS(=O)(=O)N(C)C ZINC000380593530 373317286 /nfs/dbraw/zinc/31/72/86/373317286.db2.gz STDNFSSRDWAJAH-VHSXEESVSA-N 2 1 249.380 -0.453 20 0 BBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCS(=O)(=O)N(C)C ZINC000380593538 373317563 /nfs/dbraw/zinc/31/75/63/373317563.db2.gz STDNFSSRDWAJAH-ZJUUUORDSA-N 2 1 249.380 -0.453 20 0 BBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCS(=O)(=O)N(C)C ZINC000380593538 373317557 /nfs/dbraw/zinc/31/75/57/373317557.db2.gz STDNFSSRDWAJAH-ZJUUUORDSA-N 2 1 249.380 -0.453 20 0 BBADMP O=C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)NC1CC1 ZINC000380756081 712902940 /nfs/dbraw/zinc/90/29/40/712902940.db2.gz VDVLYHIJUWXXRF-VHSXEESVSA-N 2 1 223.320 -0.194 20 0 BBADMP O=C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)NC1CC1 ZINC000380756081 712902939 /nfs/dbraw/zinc/90/29/39/712902939.db2.gz VDVLYHIJUWXXRF-VHSXEESVSA-N 2 1 223.320 -0.194 20 0 BBADMP CC[NH+](C)C[C@H](O)CN1CC[N@@H+](C)C[C@H]1C ZINC000380982067 367330176 /nfs/dbraw/zinc/33/01/76/367330176.db2.gz CONUBEFOKDLSIE-NEPJUHHUSA-N 2 1 229.368 -0.065 20 0 BBADMP CC[NH+](C)C[C@H](O)CN1CC[N@H+](C)C[C@H]1C ZINC000380982067 367330170 /nfs/dbraw/zinc/33/01/70/367330170.db2.gz CONUBEFOKDLSIE-NEPJUHHUSA-N 2 1 229.368 -0.065 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](C)C[C@H]1C ZINC000380982067 367330164 /nfs/dbraw/zinc/33/01/64/367330164.db2.gz CONUBEFOKDLSIE-NEPJUHHUSA-N 2 1 229.368 -0.065 20 0 BBADMP CC[NH+](C)C[C@@H](O)CN1CC[N@@H+](C)C[C@@H]1C ZINC000380982068 367329560 /nfs/dbraw/zinc/32/95/60/367329560.db2.gz CONUBEFOKDLSIE-NWDGAFQWSA-N 2 1 229.368 -0.065 20 0 BBADMP CC[NH+](C)C[C@@H](O)CN1CC[N@H+](C)C[C@@H]1C ZINC000380982068 367329557 /nfs/dbraw/zinc/32/95/57/367329557.db2.gz CONUBEFOKDLSIE-NWDGAFQWSA-N 2 1 229.368 -0.065 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C)C[C@@H]1C ZINC000380982068 367329554 /nfs/dbraw/zinc/32/95/54/367329554.db2.gz CONUBEFOKDLSIE-NWDGAFQWSA-N 2 1 229.368 -0.065 20 0 BBADMP CC[NH+](C)C[C@H](O)CN1CC[N@@H+](C)C[C@@H]1C ZINC000380982069 367329504 /nfs/dbraw/zinc/32/95/04/367329504.db2.gz CONUBEFOKDLSIE-RYUDHWBXSA-N 2 1 229.368 -0.065 20 0 BBADMP CC[NH+](C)C[C@H](O)CN1CC[N@H+](C)C[C@@H]1C ZINC000380982069 367329501 /nfs/dbraw/zinc/32/95/01/367329501.db2.gz CONUBEFOKDLSIE-RYUDHWBXSA-N 2 1 229.368 -0.065 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](C)C[C@@H]1C ZINC000380982069 367329497 /nfs/dbraw/zinc/32/94/97/367329497.db2.gz CONUBEFOKDLSIE-RYUDHWBXSA-N 2 1 229.368 -0.065 20 0 BBADMP CC[NH+](C)C[C@@H](O)CN1CC[N@@H+](C)C[C@H]1C ZINC000380982070 367329776 /nfs/dbraw/zinc/32/97/76/367329776.db2.gz CONUBEFOKDLSIE-VXGBXAGGSA-N 2 1 229.368 -0.065 20 0 BBADMP CC[NH+](C)C[C@@H](O)CN1CC[N@H+](C)C[C@H]1C ZINC000380982070 367329773 /nfs/dbraw/zinc/32/97/73/367329773.db2.gz CONUBEFOKDLSIE-VXGBXAGGSA-N 2 1 229.368 -0.065 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C)C[C@H]1C ZINC000380982070 367329768 /nfs/dbraw/zinc/32/97/68/367329768.db2.gz CONUBEFOKDLSIE-VXGBXAGGSA-N 2 1 229.368 -0.065 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)CC(N)=O ZINC000380987670 385916883 /nfs/dbraw/zinc/91/68/83/385916883.db2.gz DJGPPZUKYIEGQH-SECBINFHSA-N 2 1 231.340 -0.457 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)CC(N)=O ZINC000380987671 385917540 /nfs/dbraw/zinc/91/75/40/385917540.db2.gz DJGPPZUKYIEGQH-VIFPVBQESA-N 2 1 231.340 -0.457 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000381088610 487495112 /nfs/dbraw/zinc/49/51/12/487495112.db2.gz ULRLGHOPPWUTDV-GRYCIOLGSA-N 2 1 227.352 -0.550 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000381088612 487495139 /nfs/dbraw/zinc/49/51/39/487495139.db2.gz ULRLGHOPPWUTDV-SRVKXCTJSA-N 2 1 227.352 -0.550 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000381088614 487495289 /nfs/dbraw/zinc/49/52/89/487495289.db2.gz ULRLGHOPPWUTDV-TUAOUCFPSA-N 2 1 227.352 -0.550 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000381088616 487495187 /nfs/dbraw/zinc/49/51/87/487495187.db2.gz ULRLGHOPPWUTDV-UTUOFQBUSA-N 2 1 227.352 -0.550 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](CC)CC1 ZINC000381186559 344134812 /nfs/dbraw/zinc/13/48/12/344134812.db2.gz XSPFDOQZXMRZAZ-GFCCVEGCSA-N 2 1 229.368 -0.064 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](CC)CC1 ZINC000381186561 344135124 /nfs/dbraw/zinc/13/51/24/344135124.db2.gz XSPFDOQZXMRZAZ-LBPRGKRZSA-N 2 1 229.368 -0.064 20 0 BBADMP C[C@@H](CNC[C@@H](O)C[N@@H+](C)C1CC1)[NH+](C)C ZINC000381205916 367364784 /nfs/dbraw/zinc/36/47/84/367364784.db2.gz CSHBPXLTZCEZIG-CMPLNLGQSA-N 2 1 229.368 -0.019 20 0 BBADMP C[C@@H](CNC[C@H](O)C[N@@H+](C)C1CC1)[NH+](C)C ZINC000381205922 367364278 /nfs/dbraw/zinc/36/42/78/367364278.db2.gz CSHBPXLTZCEZIG-JQWIXIFHSA-N 2 1 229.368 -0.019 20 0 BBADMP CO[C@H](C[NH3+])CC(=O)NCC(F)(F)C[NH3+] ZINC000381241131 344248632 /nfs/dbraw/zinc/24/86/32/344248632.db2.gz NDGSSSSUKXJWDS-LURJTMIESA-N 2 1 225.239 -0.940 20 0 BBADMP CO[C@@H](C[NH3+])CC(=O)NCC(F)(F)C[NH3+] ZINC000381241137 367370801 /nfs/dbraw/zinc/37/08/01/367370801.db2.gz NDGSSSSUKXJWDS-ZCFIWIBFSA-N 2 1 225.239 -0.940 20 0 BBADMP C[C@@H]1CN(C(=O)[C@@H]2CSC[NH2+]2)CC[C@H]1[NH3+] ZINC000381259613 344490766 /nfs/dbraw/zinc/49/07/66/344490766.db2.gz RODGREUQZMBGGG-HLTSFMKQSA-N 2 1 229.349 -0.155 20 0 BBADMP C[C@@H]1CN(C(=O)[C@@H]2CSC[NH2+]2)CC[C@@H]1[NH3+] ZINC000381259623 344491054 /nfs/dbraw/zinc/49/10/54/344491054.db2.gz RODGREUQZMBGGG-VGMNWLOBSA-N 2 1 229.349 -0.155 20 0 BBADMP CC1([NH3+])CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000381285154 398339947 /nfs/dbraw/zinc/33/99/47/398339947.db2.gz ZLDDYYPKVKDKQP-QMMMGPOBSA-N 2 1 229.349 -0.011 20 0 BBADMP C[C@@H](C(=O)NCC(F)(F)C[NH3+])[NH+](C)C ZINC000381359188 398253847 /nfs/dbraw/zinc/25/38/47/398253847.db2.gz DMXBJUKIVCBQGA-LURJTMIESA-N 2 1 209.240 -0.353 20 0 BBADMP CON(C)C(=O)CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000381370440 710629806 /nfs/dbraw/zinc/62/98/06/710629806.db2.gz ICDVBFRPIBGJDE-AOOOYVTPSA-N 2 1 227.308 -0.453 20 0 BBADMP C[NH2+]CCCNC(=O)c1csc(C[NH3+])n1 ZINC000381434950 367403210 /nfs/dbraw/zinc/40/32/10/367403210.db2.gz CKTYCFNLZYKBDM-UHFFFAOYSA-N 2 1 228.321 -0.059 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000381443134 487508194 /nfs/dbraw/zinc/50/81/94/487508194.db2.gz AIRGRJAHLLNIGH-RQJHMYQMSA-N 2 1 221.251 -0.176 20 0 BBADMP C[C@]1(C[NH3+])CCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000381457853 345939969 /nfs/dbraw/zinc/93/99/69/345939969.db2.gz JZUDGTBFGOHWFL-PSASIEDQSA-N 2 1 229.349 -0.154 20 0 BBADMP C[C@@]1(C[NH3+])CCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000381457855 345940170 /nfs/dbraw/zinc/94/01/70/345940170.db2.gz JZUDGTBFGOHWFL-SCZZXKLOSA-N 2 1 229.349 -0.154 20 0 BBADMP C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000381457857 345940107 /nfs/dbraw/zinc/94/01/07/345940107.db2.gz JZUDGTBFGOHWFL-WCBMZHEXSA-N 2 1 229.349 -0.154 20 0 BBADMP C[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000381457858 345939877 /nfs/dbraw/zinc/93/98/77/345939877.db2.gz JZUDGTBFGOHWFL-WPRPVWTQSA-N 2 1 229.349 -0.154 20 0 BBADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000381466773 345978058 /nfs/dbraw/zinc/97/80/58/345978058.db2.gz MTLZPORPPJEDEX-BQBZGAKWSA-N 2 1 221.251 -0.305 20 0 BBADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000381466776 345977957 /nfs/dbraw/zinc/97/79/57/345977957.db2.gz MTLZPORPPJEDEX-NKWVEPMBSA-N 2 1 221.251 -0.305 20 0 BBADMP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000381466777 345977943 /nfs/dbraw/zinc/97/79/43/345977943.db2.gz MTLZPORPPJEDEX-RNFRBKRXSA-N 2 1 221.251 -0.305 20 0 BBADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000381466779 345978163 /nfs/dbraw/zinc/97/81/63/345978163.db2.gz MTLZPORPPJEDEX-RQJHMYQMSA-N 2 1 221.251 -0.305 20 0 BBADMP O=C(NCC[C@H]1CC[NH2+]C1)[C@@H]1CSC[NH2+]1 ZINC000381498355 346157224 /nfs/dbraw/zinc/15/72/24/346157224.db2.gz NMNKQASEJZCCAZ-BDAKNGLRSA-N 2 1 229.349 -0.235 20 0 BBADMP O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1CSC[NH2+]1 ZINC000381498356 346157532 /nfs/dbraw/zinc/15/75/32/346157532.db2.gz NMNKQASEJZCCAZ-DTWKUNHWSA-N 2 1 229.349 -0.235 20 0 BBADMP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1CSC[NH2+]1 ZINC000381498363 346157507 /nfs/dbraw/zinc/15/75/07/346157507.db2.gz NMNKQASEJZCCAZ-IUCAKERBSA-N 2 1 229.349 -0.235 20 0 BBADMP O=C(NCC[C@H]1CC[NH2+]C1)[C@H]1CSC[NH2+]1 ZINC000381498365 346157556 /nfs/dbraw/zinc/15/75/56/346157556.db2.gz NMNKQASEJZCCAZ-RKDXNWHRSA-N 2 1 229.349 -0.235 20 0 BBADMP C[NH2+]C1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000381503948 346171918 /nfs/dbraw/zinc/17/19/18/346171918.db2.gz RFMHGKXWFJDLIX-SECBINFHSA-N 2 1 229.349 -0.141 20 0 BBADMP C[NH2+]C1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000381503949 346172011 /nfs/dbraw/zinc/17/20/11/346172011.db2.gz RFMHGKXWFJDLIX-VIFPVBQESA-N 2 1 229.349 -0.141 20 0 BBADMP C[NH2+]CC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000381513654 398261213 /nfs/dbraw/zinc/26/12/13/398261213.db2.gz YSOBXJNIIIZNJC-JTQLQIEISA-N 2 1 211.309 -0.194 20 0 BBADMP C[NH2+]CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000381513655 398261007 /nfs/dbraw/zinc/26/10/07/398261007.db2.gz YSOBXJNIIIZNJC-SNVBAGLBSA-N 2 1 211.309 -0.194 20 0 BBADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000381539221 710652641 /nfs/dbraw/zinc/65/26/41/710652641.db2.gz HXCPBBRRGZHILC-OUAUKWLOSA-N 3 1 213.325 -0.227 20 0 BBADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000381539221 710652638 /nfs/dbraw/zinc/65/26/38/710652638.db2.gz HXCPBBRRGZHILC-OUAUKWLOSA-N 3 1 213.325 -0.227 20 0 BBADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CSC[NH2+]2)CC[NH2+]1 ZINC000381563984 344521396 /nfs/dbraw/zinc/52/13/96/344521396.db2.gz SKHIOWYVPFFKEO-HLTSFMKQSA-N 2 1 229.349 -0.094 20 0 BBADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CSC[NH2+]2)CC[NH2+]1 ZINC000381563998 367431317 /nfs/dbraw/zinc/43/13/17/367431317.db2.gz SKHIOWYVPFFKEO-HRDYMLBCSA-N 2 1 229.349 -0.094 20 0 BBADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CSC[NH2+]2)CC[NH2+]1 ZINC000381564001 346356389 /nfs/dbraw/zinc/35/63/89/346356389.db2.gz SKHIOWYVPFFKEO-IWSPIJDZSA-N 2 1 229.349 -0.094 20 0 BBADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CSC[NH2+]2)CC[NH2+]1 ZINC000381564003 344521251 /nfs/dbraw/zinc/52/12/51/344521251.db2.gz SKHIOWYVPFFKEO-VGMNWLOBSA-N 2 1 229.349 -0.094 20 0 BBADMP Nc1cc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)ccn1 ZINC000381571795 539004319 /nfs/dbraw/zinc/00/43/19/539004319.db2.gz WEXHMXGPIBRKNL-AOOOYVTPSA-N 2 1 223.276 -0.578 20 0 BBADMP O=C1OCCN1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000381575999 710656747 /nfs/dbraw/zinc/65/67/47/710656747.db2.gz ZYUQCHUSSFRTHA-AOOOYVTPSA-N 2 1 225.292 -0.410 20 0 BBADMP O=C1OCCN1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000381575999 710656745 /nfs/dbraw/zinc/65/67/45/710656745.db2.gz ZYUQCHUSSFRTHA-AOOOYVTPSA-N 2 1 225.292 -0.410 20 0 BBADMP O=C1OCCN1CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000381576004 710656868 /nfs/dbraw/zinc/65/68/68/710656868.db2.gz ZYUQCHUSSFRTHA-NXEZZACHSA-N 2 1 225.292 -0.410 20 0 BBADMP O=C1OCCN1CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000381576005 710656892 /nfs/dbraw/zinc/65/68/92/710656892.db2.gz ZYUQCHUSSFRTHA-UWVGGRQHSA-N 2 1 225.292 -0.410 20 0 BBADMP O=C(NCC[C@H]1CCC[NH2+]1)[C@@H]1CSC[NH2+]1 ZINC000381596074 346400904 /nfs/dbraw/zinc/40/09/04/346400904.db2.gz LTOBBPILHDRQHU-BDAKNGLRSA-N 2 1 229.349 -0.093 20 0 BBADMP O=C(NCC[C@H]1CCC[NH2+]1)[C@H]1CSC[NH2+]1 ZINC000381596076 346400721 /nfs/dbraw/zinc/40/07/21/346400721.db2.gz LTOBBPILHDRQHU-RKDXNWHRSA-N 2 1 229.349 -0.093 20 0 BBADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2C1 ZINC000381605625 710661706 /nfs/dbraw/zinc/66/17/06/710661706.db2.gz IHWKUIFKUMSZMB-NEPJUHHUSA-N 2 1 228.336 -0.121 20 0 BBADMP C[NH+]1CC[C@@H]2C[N@H+](CCOCCO)C[C@@H]2C1 ZINC000381605625 710661702 /nfs/dbraw/zinc/66/17/02/710661702.db2.gz IHWKUIFKUMSZMB-NEPJUHHUSA-N 2 1 228.336 -0.121 20 0 BBADMP C[N@H+]1CC[C@@H]2C[NH+](CCOCCO)C[C@@H]2C1 ZINC000381605625 710661700 /nfs/dbraw/zinc/66/17/00/710661700.db2.gz IHWKUIFKUMSZMB-NEPJUHHUSA-N 2 1 228.336 -0.121 20 0 BBADMP C[C@H]1C[C@H](NC(=O)[C@H]2CSC[NH2+]2)CC[NH2+]1 ZINC000381611418 346429146 /nfs/dbraw/zinc/42/91/46/346429146.db2.gz SKHIOWYVPFFKEO-DJLDLDEBSA-N 2 1 229.349 -0.094 20 0 BBADMP C[C@H]1C[C@@H](NC(=O)[C@H]2CSC[NH2+]2)CC[NH2+]1 ZINC000381611419 346429058 /nfs/dbraw/zinc/42/90/58/346429058.db2.gz SKHIOWYVPFFKEO-XHNCKOQMSA-N 2 1 229.349 -0.094 20 0 BBADMP COC[C@H](O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000381631553 710664450 /nfs/dbraw/zinc/66/44/50/710664450.db2.gz MXMLNIPEKYPJMA-QJPTWQEYSA-N 2 1 228.336 -0.123 20 0 BBADMP COC[C@H](O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000381631553 710664446 /nfs/dbraw/zinc/66/44/46/710664446.db2.gz MXMLNIPEKYPJMA-QJPTWQEYSA-N 2 1 228.336 -0.123 20 0 BBADMP COC[C@H](O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000381631553 710664443 /nfs/dbraw/zinc/66/44/43/710664443.db2.gz MXMLNIPEKYPJMA-QJPTWQEYSA-N 2 1 228.336 -0.123 20 0 BBADMP C[N@H+](C[C@H](O)C[NH2+][C@@H](CO)C1CC1)C1CC1 ZINC000381717094 710684324 /nfs/dbraw/zinc/68/43/24/710684324.db2.gz LHZJXZXDFWEEIS-NEPJUHHUSA-N 2 1 228.336 -0.198 20 0 BBADMP C[N@H+](C[C@@H](O)C[NH2+][C@H](CO)C1CC1)C1CC1 ZINC000381717103 710684525 /nfs/dbraw/zinc/68/45/25/710684525.db2.gz LHZJXZXDFWEEIS-NWDGAFQWSA-N 2 1 228.336 -0.198 20 0 BBADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H](CO)C1CC1)C1CC1 ZINC000381717106 710683436 /nfs/dbraw/zinc/68/34/36/710683436.db2.gz LHZJXZXDFWEEIS-RYUDHWBXSA-N 2 1 228.336 -0.198 20 0 BBADMP C[N@H+](C[C@H](O)C[NH2+][C@H](CO)C1CC1)C1CC1 ZINC000381717107 710684387 /nfs/dbraw/zinc/68/43/87/710684387.db2.gz LHZJXZXDFWEEIS-VXGBXAGGSA-N 2 1 228.336 -0.198 20 0 BBADMP C[C@@H]([NH3+])CCNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000382189007 357378402 /nfs/dbraw/zinc/37/84/02/357378402.db2.gz CAOMEGOSOLIRFZ-HLTSFMKQSA-N 2 1 215.297 -0.783 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@H]([NH3+])[C@@H]1C ZINC000382427628 711733027 /nfs/dbraw/zinc/73/30/27/711733027.db2.gz ZJKKZFMXJAKGNL-SRVKXCTJSA-N 2 1 245.367 -0.653 20 0 BBADMP COCC[C@H](CO)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000383035462 710841752 /nfs/dbraw/zinc/84/17/52/710841752.db2.gz FMRIKSLVRDVXSQ-ASHHDVGLSA-N 2 1 240.347 -0.030 20 0 BBADMP COCC[C@H](CO)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000383035463 710841517 /nfs/dbraw/zinc/84/15/17/710841517.db2.gz FMRIKSLVRDVXSQ-JSAZDUPASA-N 2 1 240.347 -0.030 20 0 BBADMP COCC[C@H](CO)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000383035465 710841115 /nfs/dbraw/zinc/84/11/15/710841115.db2.gz FMRIKSLVRDVXSQ-NURVWSNCSA-N 2 1 240.347 -0.030 20 0 BBADMP CC[C@H](CO)[N@@H+](C)C[C@@H](O)CN(C)CCOC ZINC000383090283 367595313 /nfs/dbraw/zinc/59/53/13/367595313.db2.gz LENBLJMCEAJGIS-NEPJUHHUSA-N 2 1 248.367 -0.372 20 0 BBADMP CC[C@@H](CO)[N@@H+](C)C[C@H](O)CN(C)CCOC ZINC000383090285 367594795 /nfs/dbraw/zinc/59/47/95/367594795.db2.gz LENBLJMCEAJGIS-NWDGAFQWSA-N 2 1 248.367 -0.372 20 0 BBADMP CC[C@@H](CO)[N@@H+](C)C[C@@H](O)CN(C)CCOC ZINC000383090290 367594644 /nfs/dbraw/zinc/59/46/44/367594644.db2.gz LENBLJMCEAJGIS-RYUDHWBXSA-N 2 1 248.367 -0.372 20 0 BBADMP COC[C@H](CCO)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000383321461 710980749 /nfs/dbraw/zinc/98/07/49/710980749.db2.gz OYWMDYWRAHYMQR-LIBFEPKXSA-N 2 1 240.347 -0.030 20 0 BBADMP COC[C@H](CCO)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000383321462 710980630 /nfs/dbraw/zinc/98/06/30/710980630.db2.gz OYWMDYWRAHYMQR-MCDVFOBDSA-N 2 1 240.347 -0.030 20 0 BBADMP COC[C@H](CCO)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000383321464 710980692 /nfs/dbraw/zinc/98/06/92/710980692.db2.gz OYWMDYWRAHYMQR-RJRAAQABSA-N 2 1 240.347 -0.030 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])CC1CC1 ZINC000383397456 710979872 /nfs/dbraw/zinc/97/98/72/710979872.db2.gz ATOWJWOYUNQBGR-LLVKDONJSA-N 2 1 243.351 -0.192 20 0 BBADMP C[N@@H+](CCn1cncn1)CCN1CC[NH2+]CC1 ZINC000383439734 398020202 /nfs/dbraw/zinc/02/02/02/398020202.db2.gz DKURTIFTVQYXFW-UHFFFAOYSA-N 2 1 238.339 -0.885 20 0 BBADMP CN(C)C(=O)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000383488358 367627088 /nfs/dbraw/zinc/62/70/88/367627088.db2.gz BXIDTBFGHASDIN-LLVKDONJSA-N 2 1 243.351 -0.491 20 0 BBADMP CN(C)C(=O)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000383488358 367627082 /nfs/dbraw/zinc/62/70/82/367627082.db2.gz BXIDTBFGHASDIN-LLVKDONJSA-N 2 1 243.351 -0.491 20 0 BBADMP CN(C)C(=O)CCNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000383488358 367627080 /nfs/dbraw/zinc/62/70/80/367627080.db2.gz BXIDTBFGHASDIN-LLVKDONJSA-N 2 1 243.351 -0.491 20 0 BBADMP CN(C)C(=O)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000383488361 367627275 /nfs/dbraw/zinc/62/72/75/367627275.db2.gz BXIDTBFGHASDIN-NSHDSACASA-N 2 1 243.351 -0.491 20 0 BBADMP CN(C)C(=O)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000383488361 367627269 /nfs/dbraw/zinc/62/72/69/367627269.db2.gz BXIDTBFGHASDIN-NSHDSACASA-N 2 1 243.351 -0.491 20 0 BBADMP CN(C)C(=O)CCNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000383488361 367627266 /nfs/dbraw/zinc/62/72/66/367627266.db2.gz BXIDTBFGHASDIN-NSHDSACASA-N 2 1 243.351 -0.491 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](O)C1 ZINC000383491591 398022484 /nfs/dbraw/zinc/02/24/84/398022484.db2.gz AYLXJLPWJYXUJE-NEPJUHHUSA-N 2 1 246.351 -0.618 20 0 BBADMP COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H](O)C1 ZINC000383491591 398022483 /nfs/dbraw/zinc/02/24/83/398022483.db2.gz AYLXJLPWJYXUJE-NEPJUHHUSA-N 2 1 246.351 -0.618 20 0 BBADMP C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CCOCC1 ZINC000383492311 710982700 /nfs/dbraw/zinc/98/27/00/710982700.db2.gz BDAOQWHTZUFBJQ-QWHCGFSZSA-N 2 1 239.363 -0.140 20 0 BBADMP NC(=O)NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000383538674 711592846 /nfs/dbraw/zinc/59/28/46/711592846.db2.gz SYDAFQYFKKGQKI-UHFFFAOYSA-N 2 1 240.307 -0.743 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H]1C[NH3+] ZINC000383562366 711660581 /nfs/dbraw/zinc/66/05/81/711660581.db2.gz AEQNQZUKSPZZMG-NEPJUHHUSA-N 2 1 245.367 -0.651 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H]1C[NH3+] ZINC000383562372 711660554 /nfs/dbraw/zinc/66/05/54/711660554.db2.gz AEQNQZUKSPZZMG-VXGBXAGGSA-N 2 1 245.367 -0.651 20 0 BBADMP C[N@@H+](C[C@H](O)C[NH2+]CCn1ccnc1)C1CC1 ZINC000383570807 367641057 /nfs/dbraw/zinc/64/10/57/367641057.db2.gz JYUADYAOEZGCQH-GFCCVEGCSA-N 2 1 238.335 -0.072 20 0 BBADMP C[N@H+](C[C@H](O)C[NH2+]CCn1ccnc1)C1CC1 ZINC000383570807 367641053 /nfs/dbraw/zinc/64/10/53/367641053.db2.gz JYUADYAOEZGCQH-GFCCVEGCSA-N 2 1 238.335 -0.072 20 0 BBADMP C[N@@H+](C[C@@H](O)C[NH2+]CCn1ccnc1)C1CC1 ZINC000383570808 367640859 /nfs/dbraw/zinc/64/08/59/367640859.db2.gz JYUADYAOEZGCQH-LBPRGKRZSA-N 2 1 238.335 -0.072 20 0 BBADMP C[N@H+](C[C@@H](O)C[NH2+]CCn1ccnc1)C1CC1 ZINC000383570808 367640856 /nfs/dbraw/zinc/64/08/56/367640856.db2.gz JYUADYAOEZGCQH-LBPRGKRZSA-N 2 1 238.335 -0.072 20 0 BBADMP NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000383571612 354126130 /nfs/dbraw/zinc/12/61/30/354126130.db2.gz KCNBUFMDIMRVII-KWQFWETISA-N 2 1 240.307 -0.758 20 0 BBADMP NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000383571612 354126126 /nfs/dbraw/zinc/12/61/26/354126126.db2.gz KCNBUFMDIMRVII-KWQFWETISA-N 2 1 240.307 -0.758 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@@H](NC(C)=O)C1 ZINC000383662310 367647649 /nfs/dbraw/zinc/64/76/49/367647649.db2.gz GQGZRILOOBOXFZ-NEPJUHHUSA-N 2 1 243.351 -0.491 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[C@H](NC(C)=O)C1 ZINC000383662311 367647108 /nfs/dbraw/zinc/64/71/08/367647108.db2.gz GQGZRILOOBOXFZ-NWDGAFQWSA-N 2 1 243.351 -0.491 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@H](NC(C)=O)C1 ZINC000383662312 367647391 /nfs/dbraw/zinc/64/73/91/367647391.db2.gz GQGZRILOOBOXFZ-RYUDHWBXSA-N 2 1 243.351 -0.491 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](NC(C)=O)C1 ZINC000383662313 367647613 /nfs/dbraw/zinc/64/76/13/367647613.db2.gz GQGZRILOOBOXFZ-VXGBXAGGSA-N 2 1 243.351 -0.491 20 0 BBADMP C[NH2+][C@@H]1CCN(C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000383714279 710872377 /nfs/dbraw/zinc/87/23/77/710872377.db2.gz XHIHNBCCOGQHNZ-NEPJUHHUSA-N 2 1 245.367 -0.781 20 0 BBADMP C[NH2+][C@H]1CCN(C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000383714280 710872735 /nfs/dbraw/zinc/87/27/35/710872735.db2.gz XHIHNBCCOGQHNZ-NWDGAFQWSA-N 2 1 245.367 -0.781 20 0 BBADMP C[NH2+][C@H]1CCN(C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000383714282 710872768 /nfs/dbraw/zinc/87/27/68/710872768.db2.gz XHIHNBCCOGQHNZ-RYUDHWBXSA-N 2 1 245.367 -0.781 20 0 BBADMP C[NH2+][C@@H]1CCN(C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000383714284 710872042 /nfs/dbraw/zinc/87/20/42/710872042.db2.gz XHIHNBCCOGQHNZ-VXGBXAGGSA-N 2 1 245.367 -0.781 20 0 BBADMP CC(C)[N@@H+](C)C[C@@H](O)Cn1cc([C@@H](C)[NH3+])nn1 ZINC000383797070 710944359 /nfs/dbraw/zinc/94/43/59/710944359.db2.gz SDMXHIQOIIMEBH-NXEZZACHSA-N 2 1 241.339 -0.001 20 0 BBADMP CC(C)[N@@H+](C)C[C@H](O)Cn1cc([C@@H](C)[NH3+])nn1 ZINC000383797071 710944382 /nfs/dbraw/zinc/94/43/82/710944382.db2.gz SDMXHIQOIIMEBH-ZJUUUORDSA-N 2 1 241.339 -0.001 20 0 BBADMP C[NH2+]Cc1cn(C[C@H](O)C[N@@H+](C)C(C)C)nn1 ZINC000383804213 398036589 /nfs/dbraw/zinc/03/65/89/398036589.db2.gz UESOLHHXRQNYGM-LLVKDONJSA-N 2 1 241.339 -0.301 20 0 BBADMP C[NH2+]Cc1cn(C[C@@H](O)C[N@@H+](C)C(C)C)nn1 ZINC000383804222 398036660 /nfs/dbraw/zinc/03/66/60/398036660.db2.gz UESOLHHXRQNYGM-NSHDSACASA-N 2 1 241.339 -0.301 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)COC ZINC000383844625 367655724 /nfs/dbraw/zinc/65/57/24/367655724.db2.gz ZYKGITBUQGSIML-LLVKDONJSA-N 2 1 248.367 -0.060 20 0 BBADMP COCC[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)COC ZINC000383844625 367655721 /nfs/dbraw/zinc/65/57/21/367655721.db2.gz ZYKGITBUQGSIML-LLVKDONJSA-N 2 1 248.367 -0.060 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)COC ZINC000383844626 367655826 /nfs/dbraw/zinc/65/58/26/367655826.db2.gz ZYKGITBUQGSIML-NSHDSACASA-N 2 1 248.367 -0.060 20 0 BBADMP COCC[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)COC ZINC000383844626 367655824 /nfs/dbraw/zinc/65/58/24/367655824.db2.gz ZYKGITBUQGSIML-NSHDSACASA-N 2 1 248.367 -0.060 20 0 BBADMP C[C@@H]1C[NH+]=C(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)N1 ZINC000383845169 710952103 /nfs/dbraw/zinc/95/21/03/710952103.db2.gz KYERQBAHQXAOAB-GMTAPVOTSA-N 2 1 238.335 -0.213 20 0 BBADMP C[C@@H]1C[NH+]=C(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)N1 ZINC000383845282 710952393 /nfs/dbraw/zinc/95/23/93/710952393.db2.gz KYERQBAHQXAOAB-MXWKQRLJSA-N 2 1 238.335 -0.213 20 0 BBADMP C[C@@H]1C[NH+]=C(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)N1 ZINC000383845283 710952135 /nfs/dbraw/zinc/95/21/35/710952135.db2.gz KYERQBAHQXAOAB-OUAUKWLOSA-N 2 1 238.335 -0.213 20 0 BBADMP C[C@@H]1C[NH+]=C(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)N1 ZINC000383845290 710951480 /nfs/dbraw/zinc/95/14/80/710951480.db2.gz KYERQBAHQXAOAB-VWYCJHECSA-N 2 1 238.335 -0.213 20 0 BBADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000383980503 710987356 /nfs/dbraw/zinc/98/73/56/710987356.db2.gz LVKNBMNMJAGYME-NEPJUHHUSA-N 2 1 245.367 -0.794 20 0 BBADMP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000383980503 710987354 /nfs/dbraw/zinc/98/73/54/710987354.db2.gz LVKNBMNMJAGYME-NEPJUHHUSA-N 2 1 245.367 -0.794 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@H](C[NH3+])C1 ZINC000383980503 710987349 /nfs/dbraw/zinc/98/73/49/710987349.db2.gz LVKNBMNMJAGYME-NEPJUHHUSA-N 2 1 245.367 -0.794 20 0 BBADMP COCCN(C)C[C@@H](O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000383980504 710988163 /nfs/dbraw/zinc/98/81/63/710988163.db2.gz LVKNBMNMJAGYME-NWDGAFQWSA-N 2 1 245.367 -0.794 20 0 BBADMP COCCN(C)C[C@@H](O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000383980504 710988157 /nfs/dbraw/zinc/98/81/57/710988157.db2.gz LVKNBMNMJAGYME-NWDGAFQWSA-N 2 1 245.367 -0.794 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](C[NH3+])C1 ZINC000383980504 710988156 /nfs/dbraw/zinc/98/81/56/710988156.db2.gz LVKNBMNMJAGYME-NWDGAFQWSA-N 2 1 245.367 -0.794 20 0 BBADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000383980505 710987530 /nfs/dbraw/zinc/98/75/30/710987530.db2.gz LVKNBMNMJAGYME-RYUDHWBXSA-N 2 1 245.367 -0.794 20 0 BBADMP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000383980505 710987525 /nfs/dbraw/zinc/98/75/25/710987525.db2.gz LVKNBMNMJAGYME-RYUDHWBXSA-N 2 1 245.367 -0.794 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H](C[NH3+])C1 ZINC000383980505 710987520 /nfs/dbraw/zinc/98/75/20/710987520.db2.gz LVKNBMNMJAGYME-RYUDHWBXSA-N 2 1 245.367 -0.794 20 0 BBADMP COCCN(C)C[C@@H](O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000383980506 710987913 /nfs/dbraw/zinc/98/79/13/710987913.db2.gz LVKNBMNMJAGYME-VXGBXAGGSA-N 2 1 245.367 -0.794 20 0 BBADMP COCCN(C)C[C@@H](O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000383980506 710987911 /nfs/dbraw/zinc/98/79/11/710987911.db2.gz LVKNBMNMJAGYME-VXGBXAGGSA-N 2 1 245.367 -0.794 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[C@H](C[NH3+])C1 ZINC000383980506 710987909 /nfs/dbraw/zinc/98/79/09/710987909.db2.gz LVKNBMNMJAGYME-VXGBXAGGSA-N 2 1 245.367 -0.794 20 0 BBADMP CC(C)[N@@H+](C)C[C@H](O)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000384001504 487685903 /nfs/dbraw/zinc/68/59/03/487685903.db2.gz OOMLTGIXSRKYJX-AVGNSLFASA-N 2 1 241.379 -0.161 20 0 BBADMP CC(C)[N@@H+](C)C[C@H](O)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000384001506 487686030 /nfs/dbraw/zinc/68/60/30/487686030.db2.gz OOMLTGIXSRKYJX-UPJWGTAASA-N 2 1 241.379 -0.161 20 0 BBADMP CN(C[C@H](O)C[NH2+][C@H]1CC(=O)N(C)C1)C1CC1 ZINC000384066155 367670673 /nfs/dbraw/zinc/67/06/73/367670673.db2.gz ZAPUUZDXHPQTCY-GXSJLCMTSA-N 2 1 241.335 -0.738 20 0 BBADMP CN1C[C@@H](NC[C@@H](O)C[N@@H+](C)C2CC2)CC1=O ZINC000384066155 367670668 /nfs/dbraw/zinc/67/06/68/367670668.db2.gz ZAPUUZDXHPQTCY-GXSJLCMTSA-N 2 1 241.335 -0.738 20 0 BBADMP CN(C[C@@H](O)C[NH2+][C@@H]1CC(=O)N(C)C1)C1CC1 ZINC000384066169 367670573 /nfs/dbraw/zinc/67/05/73/367670573.db2.gz ZAPUUZDXHPQTCY-KOLCDFICSA-N 2 1 241.335 -0.738 20 0 BBADMP CN1C[C@H](NC[C@H](O)C[N@@H+](C)C2CC2)CC1=O ZINC000384066169 367670566 /nfs/dbraw/zinc/67/05/66/367670566.db2.gz ZAPUUZDXHPQTCY-KOLCDFICSA-N 2 1 241.335 -0.738 20 0 BBADMP CCOC[C@@H](O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000384712275 710995095 /nfs/dbraw/zinc/99/50/95/710995095.db2.gz DTODNEPMNUCXMX-RTBKNWGFSA-N 2 1 202.298 -0.195 20 0 BBADMP CCOC[C@H](O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000384712276 710995463 /nfs/dbraw/zinc/99/54/63/710995463.db2.gz DTODNEPMNUCXMX-UDNWOFFPSA-N 2 1 202.298 -0.195 20 0 BBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CC[NH2+]1 ZINC000384744862 710995441 /nfs/dbraw/zinc/99/54/41/710995441.db2.gz IEKWCTZKIVAVCX-GMTAPVOTSA-N 2 1 239.319 -0.672 20 0 BBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CC[NH2+]1 ZINC000384744863 710995557 /nfs/dbraw/zinc/99/55/57/710995557.db2.gz IEKWCTZKIVAVCX-HBNTYKKESA-N 2 1 239.319 -0.672 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@H]1CC[NH2+]1 ZINC000384793107 367733103 /nfs/dbraw/zinc/73/31/03/367733103.db2.gz VMUCFIFDVXEFCN-SECBINFHSA-N 2 1 215.297 -0.957 20 0 BBADMP O=C(NCCC[NH+]1CCOCC1)[C@H]1CC[NH2+]1 ZINC000384797483 367734663 /nfs/dbraw/zinc/73/46/63/367734663.db2.gz QBBQJYZRHRZXRL-SNVBAGLBSA-N 2 1 227.308 -0.813 20 0 BBADMP COCC[N@H+]1CCCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000384806369 367735626 /nfs/dbraw/zinc/73/56/26/367735626.db2.gz ZSJPZUGSWRBSCW-LLVKDONJSA-N 2 1 241.335 -0.471 20 0 BBADMP C[C@H](CNC(=O)[C@H]1CC[NH2+]1)[N@@H+](C)C1CC1 ZINC000384811543 367735525 /nfs/dbraw/zinc/73/55/25/367735525.db2.gz FWIRJAWBDRVNNP-PSASIEDQSA-N 2 1 211.309 -0.053 20 0 BBADMP C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)[N@@H+](C)C1CC1 ZINC000384811547 367735094 /nfs/dbraw/zinc/73/50/94/367735094.db2.gz FWIRJAWBDRVNNP-WCBMZHEXSA-N 2 1 211.309 -0.053 20 0 BBADMP O=C(NCC[NH+]1CCSCC1)[C@H]1CC[NH2+]1 ZINC000384812280 367736866 /nfs/dbraw/zinc/73/68/66/367736866.db2.gz GNJAZLXIMFFRQU-SECBINFHSA-N 2 1 229.349 -0.487 20 0 BBADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+]2)CC[N@H+]1C ZINC000384819842 367736818 /nfs/dbraw/zinc/73/68/18/367736818.db2.gz OKTSOECUSCFFNO-KXUCPTDWSA-N 2 1 211.309 -0.053 20 0 BBADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH2+]2)CC[N@H+]1C ZINC000384819843 350580974 /nfs/dbraw/zinc/58/09/74/350580974.db2.gz OKTSOECUSCFFNO-OPRDCNLKSA-N 2 1 211.309 -0.053 20 0 BBADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000384823441 367737850 /nfs/dbraw/zinc/73/78/50/367737850.db2.gz SPNVVEFIZMMENO-SECBINFHSA-N 2 1 208.265 -0.330 20 0 BBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH2+]1 ZINC000384834915 367739714 /nfs/dbraw/zinc/73/97/14/367739714.db2.gz NSDMKTOXDULYGK-NXEZZACHSA-N 2 1 211.309 -0.051 20 0 BBADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH2+]1 ZINC000384834918 367740404 /nfs/dbraw/zinc/74/04/04/367740404.db2.gz NSDMKTOXDULYGK-VHSXEESVSA-N 2 1 211.309 -0.051 20 0 BBADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH2+]1)C1CC1 ZINC000384837387 367740502 /nfs/dbraw/zinc/74/05/02/367740502.db2.gz QDRYHXCBOIGSBV-SNVBAGLBSA-N 2 1 211.309 -0.051 20 0 BBADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CC[NH2+]1 ZINC000384838530 367739866 /nfs/dbraw/zinc/73/98/66/367739866.db2.gz RENOPUVRGKFEDT-GXSJLCMTSA-N 2 1 223.320 -0.051 20 0 BBADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CC[NH2+]1 ZINC000384838534 367739838 /nfs/dbraw/zinc/73/98/38/367739838.db2.gz RENOPUVRGKFEDT-MWLCHTKSSA-N 2 1 223.320 -0.051 20 0 BBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000384842010 367741367 /nfs/dbraw/zinc/74/13/67/367741367.db2.gz UWDIELDISBWSRW-NXEZZACHSA-N 2 1 211.309 -0.194 20 0 BBADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000384842012 350595392 /nfs/dbraw/zinc/59/53/92/350595392.db2.gz UWDIELDISBWSRW-VHSXEESVSA-N 2 1 211.309 -0.194 20 0 BBADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000384842029 367741633 /nfs/dbraw/zinc/74/16/33/367741633.db2.gz UYPGUEXTNVLPGD-NXEZZACHSA-N 2 1 211.309 -0.194 20 0 BBADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000384842031 367741880 /nfs/dbraw/zinc/74/18/80/367741880.db2.gz UYPGUEXTNVLPGD-VHSXEESVSA-N 2 1 211.309 -0.194 20 0 BBADMP C[N@@H+](CCN1CCOCC1)C1CC([NH3+])C1 ZINC000384896767 367754066 /nfs/dbraw/zinc/75/40/66/367754066.db2.gz VKKMDFSMSVUFBV-UHFFFAOYSA-N 2 1 213.325 -0.260 20 0 BBADMP COCC(COC)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000384959392 712707499 /nfs/dbraw/zinc/70/74/99/712707499.db2.gz NDWYNJSYQBCIOC-UHFFFAOYSA-N 2 1 245.367 -0.515 20 0 BBADMP COCC(COC)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000385002556 711002404 /nfs/dbraw/zinc/00/24/04/711002404.db2.gz VXHFITQEZRFBDU-SECBINFHSA-N 2 1 202.298 -0.072 20 0 BBADMP COCC(COC)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000385002558 711003209 /nfs/dbraw/zinc/00/32/09/711003209.db2.gz VXHFITQEZRFBDU-VIFPVBQESA-N 2 1 202.298 -0.072 20 0 BBADMP C[N@@H+](CCN1C(=O)CCC1=O)C1CC([NH3+])C1 ZINC000385028456 367773788 /nfs/dbraw/zinc/77/37/88/367773788.db2.gz PKWYOBHZVRBPCD-UHFFFAOYSA-N 2 1 225.292 -0.443 20 0 BBADMP C[N@H+](CCN1C(=O)CCC1=O)C1CC([NH3+])C1 ZINC000385028456 367773786 /nfs/dbraw/zinc/77/37/86/367773786.db2.gz PKWYOBHZVRBPCD-UHFFFAOYSA-N 2 1 225.292 -0.443 20 0 BBADMP COCC(COC)[N@@H+](C)CCOCC[NH3+] ZINC000385035833 712708036 /nfs/dbraw/zinc/70/80/36/712708036.db2.gz MCOVMJOCXIPTHY-UHFFFAOYSA-N 2 1 220.313 -0.445 20 0 BBADMP COCCOC[C@@H](O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000385060062 711004172 /nfs/dbraw/zinc/00/41/72/711004172.db2.gz UQGOQCVABIBCRR-ILDUYXDCSA-N 2 1 232.324 -0.568 20 0 BBADMP COCCOC[C@H](O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000385060063 711004524 /nfs/dbraw/zinc/00/45/24/711004524.db2.gz UQGOQCVABIBCRR-VQXHTEKXSA-N 2 1 232.324 -0.568 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385091634 711005453 /nfs/dbraw/zinc/00/54/53/711005453.db2.gz GHFWDKYHMPIOGG-NDBYEHHHSA-N 2 1 241.379 -0.209 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385091639 711005949 /nfs/dbraw/zinc/00/59/49/711005949.db2.gz GHFWDKYHMPIOGG-WUHRBBMRSA-N 2 1 241.379 -0.209 20 0 BBADMP CNC(=O)NC(=O)CC[N@@H+](C)C1CC([NH3+])C1 ZINC000385102455 367791359 /nfs/dbraw/zinc/79/13/59/367791359.db2.gz ZYYRINIANHJDKH-UHFFFAOYSA-N 2 1 228.296 -0.746 20 0 BBADMP COC[C@@H](C)OC[C@H](O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000385163744 711007060 /nfs/dbraw/zinc/00/70/60/711007060.db2.gz LNOKEYKLWPFVOL-HBIQZDMRSA-N 2 1 246.351 -0.180 20 0 BBADMP COC[C@H](C)OC[C@H](O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000385163753 711006716 /nfs/dbraw/zinc/00/67/16/711006716.db2.gz LNOKEYKLWPFVOL-WNYYMSAVSA-N 2 1 246.351 -0.180 20 0 BBADMP COC[C@H](C)OC[C@@H](O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000385163754 711672421 /nfs/dbraw/zinc/67/24/21/711672421.db2.gz LNOKEYKLWPFVOL-XKGSQUFQSA-N 2 1 246.351 -0.180 20 0 BBADMP COC[C@@H](C)OC[C@@H](O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000385163755 711672389 /nfs/dbraw/zinc/67/23/89/711672389.db2.gz LNOKEYKLWPFVOL-YYJSSNLHSA-N 2 1 246.351 -0.180 20 0 BBADMP COC[C@H](O)C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000385221811 711008389 /nfs/dbraw/zinc/00/83/89/711008389.db2.gz RDWUFNZBDQBTKK-SECBINFHSA-N 2 1 202.298 -0.193 20 0 BBADMP COC[C@H](O)C[N@H+](C)C1(C[NH3+])CCC1 ZINC000385221811 711008387 /nfs/dbraw/zinc/00/83/87/711008387.db2.gz RDWUFNZBDQBTKK-SECBINFHSA-N 2 1 202.298 -0.193 20 0 BBADMP COC[C@@H](O)C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000385221812 711008402 /nfs/dbraw/zinc/00/84/02/711008402.db2.gz RDWUFNZBDQBTKK-VIFPVBQESA-N 2 1 202.298 -0.193 20 0 BBADMP COC[C@@H](O)C[N@H+](C)C1(C[NH3+])CCC1 ZINC000385221812 711008400 /nfs/dbraw/zinc/00/84/00/711008400.db2.gz RDWUFNZBDQBTKK-VIFPVBQESA-N 2 1 202.298 -0.193 20 0 BBADMP C[N@@H+](CCC(=O)NC(N)=O)C1(C[NH3+])CCC1 ZINC000385247492 357034789 /nfs/dbraw/zinc/03/47/89/357034789.db2.gz VUAYXGXHLLWFFP-UHFFFAOYSA-N 2 1 228.296 -0.615 20 0 BBADMP C[N@H+](CCC(=O)NC(N)=O)C1(C[NH3+])CCC1 ZINC000385247492 357034785 /nfs/dbraw/zinc/03/47/85/357034785.db2.gz VUAYXGXHLLWFFP-UHFFFAOYSA-N 2 1 228.296 -0.615 20 0 BBADMP COCCOC[C@H](O)C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000385293410 711688608 /nfs/dbraw/zinc/68/86/08/711688608.db2.gz IOBLGZOTMHFEGX-LLVKDONJSA-N 2 1 246.351 -0.177 20 0 BBADMP COCCOC[C@H](O)C[N@H+](C)C1(C[NH3+])CCC1 ZINC000385293410 711688607 /nfs/dbraw/zinc/68/86/07/711688607.db2.gz IOBLGZOTMHFEGX-LLVKDONJSA-N 2 1 246.351 -0.177 20 0 BBADMP COCCOC[C@@H](O)C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000385293411 711688540 /nfs/dbraw/zinc/68/85/40/711688540.db2.gz IOBLGZOTMHFEGX-NSHDSACASA-N 2 1 246.351 -0.177 20 0 BBADMP COCCOC[C@@H](O)C[N@H+](C)C1(C[NH3+])CCC1 ZINC000385293411 711688537 /nfs/dbraw/zinc/68/85/37/711688537.db2.gz IOBLGZOTMHFEGX-NSHDSACASA-N 2 1 246.351 -0.177 20 0 BBADMP CNC(=O)NC(=O)CC[N@@H+](C)C1(C[NH3+])CCC1 ZINC000385321818 643571177 /nfs/dbraw/zinc/57/11/77/643571177.db2.gz OEXJFTCKSBXZHS-UHFFFAOYSA-N 2 1 242.323 -0.355 20 0 BBADMP CNC(=O)NC(=O)CC[N@H+](C)C1(C[NH3+])CCC1 ZINC000385321818 643571174 /nfs/dbraw/zinc/57/11/74/643571174.db2.gz OEXJFTCKSBXZHS-UHFFFAOYSA-N 2 1 242.323 -0.355 20 0 BBADMP Cn1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000385326431 357272026 /nfs/dbraw/zinc/27/20/26/357272026.db2.gz NETZNHLSOFCRFV-CYBMUJFWSA-N 2 1 249.362 -0.100 20 0 BBADMP Cn1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000385326431 357272024 /nfs/dbraw/zinc/27/20/24/357272024.db2.gz NETZNHLSOFCRFV-CYBMUJFWSA-N 2 1 249.362 -0.100 20 0 BBADMP Cn1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC000385326432 357271863 /nfs/dbraw/zinc/27/18/63/357271863.db2.gz NETZNHLSOFCRFV-ZDUSSCGKSA-N 2 1 249.362 -0.100 20 0 BBADMP Cn1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC000385326432 357271862 /nfs/dbraw/zinc/27/18/62/357271862.db2.gz NETZNHLSOFCRFV-ZDUSSCGKSA-N 2 1 249.362 -0.100 20 0 BBADMP CN1CCC[NH+]=C1NCCC[NH+]1CCOCC1 ZINC000386288924 711504956 /nfs/dbraw/zinc/50/49/56/711504956.db2.gz PEFBCBKHXPHBGB-UHFFFAOYSA-N 2 1 240.351 -0.010 20 0 BBADMP CN1CCC[NH+]=C1NC[C@@H]1C[N@H+](C)CCN1C ZINC000386601770 711033994 /nfs/dbraw/zinc/03/39/94/711033994.db2.gz UZDPXPKVMRXTIN-LLVKDONJSA-N 2 1 239.367 -0.487 20 0 BBADMP CN1CCC[NH+]=C1NC[C@H]1C[N@H+](C)CCN1C ZINC000386601775 711033518 /nfs/dbraw/zinc/03/35/18/711033518.db2.gz UZDPXPKVMRXTIN-NSHDSACASA-N 2 1 239.367 -0.487 20 0 BBADMP Cc1cc(C)n(CC[N@H+](C)C[C@H](O)C[NH3+])n1 ZINC000386806126 398220184 /nfs/dbraw/zinc/22/01/84/398220184.db2.gz QXRBUHRVLJDRMR-LLVKDONJSA-N 2 1 226.324 -0.249 20 0 BBADMP Cc1cc(C)n(CC[N@@H+](C)C[C@H](O)C[NH3+])n1 ZINC000386806126 398220183 /nfs/dbraw/zinc/22/01/83/398220183.db2.gz QXRBUHRVLJDRMR-LLVKDONJSA-N 2 1 226.324 -0.249 20 0 BBADMP Cc1cc(C)n(CC[N@H+](C)C[C@@H](O)C[NH3+])n1 ZINC000386806127 398220465 /nfs/dbraw/zinc/22/04/65/398220465.db2.gz QXRBUHRVLJDRMR-NSHDSACASA-N 2 1 226.324 -0.249 20 0 BBADMP Cc1cc(C)n(CC[N@@H+](C)C[C@@H](O)C[NH3+])n1 ZINC000386806127 398220460 /nfs/dbraw/zinc/22/04/60/398220460.db2.gz QXRBUHRVLJDRMR-NSHDSACASA-N 2 1 226.324 -0.249 20 0 BBADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC(=O)N1 ZINC000386925825 711037562 /nfs/dbraw/zinc/03/75/62/711037562.db2.gz QHNQQDLPFLTLQW-BBBLOLIVSA-N 2 1 211.309 -0.066 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000388103086 488023532 /nfs/dbraw/zinc/02/35/32/488023532.db2.gz VSZCNEIFOFCOPE-DCAQKATOSA-N 2 1 216.325 -0.388 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000388103086 488023529 /nfs/dbraw/zinc/02/35/29/488023529.db2.gz VSZCNEIFOFCOPE-DCAQKATOSA-N 2 1 216.325 -0.388 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)[C@@H](C)C1 ZINC000388103086 488023528 /nfs/dbraw/zinc/02/35/28/488023528.db2.gz VSZCNEIFOFCOPE-DCAQKATOSA-N 2 1 216.325 -0.388 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)[C@@H](C)C1 ZINC000388103086 488023524 /nfs/dbraw/zinc/02/35/24/488023524.db2.gz VSZCNEIFOFCOPE-DCAQKATOSA-N 2 1 216.325 -0.388 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000388103093 488023646 /nfs/dbraw/zinc/02/36/46/488023646.db2.gz VSZCNEIFOFCOPE-GARJFASQSA-N 2 1 216.325 -0.388 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000388103093 488023643 /nfs/dbraw/zinc/02/36/43/488023643.db2.gz VSZCNEIFOFCOPE-GARJFASQSA-N 2 1 216.325 -0.388 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@H](O)C1 ZINC000388103093 488023637 /nfs/dbraw/zinc/02/36/37/488023637.db2.gz VSZCNEIFOFCOPE-GARJFASQSA-N 2 1 216.325 -0.388 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@H](O)C1 ZINC000388103093 488023634 /nfs/dbraw/zinc/02/36/34/488023634.db2.gz VSZCNEIFOFCOPE-GARJFASQSA-N 2 1 216.325 -0.388 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000388103096 488023720 /nfs/dbraw/zinc/02/37/20/488023720.db2.gz VSZCNEIFOFCOPE-OUAUKWLOSA-N 2 1 216.325 -0.388 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000388103096 488023717 /nfs/dbraw/zinc/02/37/17/488023717.db2.gz VSZCNEIFOFCOPE-OUAUKWLOSA-N 2 1 216.325 -0.388 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](O)C1 ZINC000388103096 488023713 /nfs/dbraw/zinc/02/37/13/488023713.db2.gz VSZCNEIFOFCOPE-OUAUKWLOSA-N 2 1 216.325 -0.388 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](O)C1 ZINC000388103096 488023711 /nfs/dbraw/zinc/02/37/11/488023711.db2.gz VSZCNEIFOFCOPE-OUAUKWLOSA-N 2 1 216.325 -0.388 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000388103097 488023479 /nfs/dbraw/zinc/02/34/79/488023479.db2.gz VSZCNEIFOFCOPE-VWYCJHECSA-N 2 1 216.325 -0.388 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000388103097 488023477 /nfs/dbraw/zinc/02/34/77/488023477.db2.gz VSZCNEIFOFCOPE-VWYCJHECSA-N 2 1 216.325 -0.388 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@@H](O)C1 ZINC000388103097 488023474 /nfs/dbraw/zinc/02/34/74/488023474.db2.gz VSZCNEIFOFCOPE-VWYCJHECSA-N 2 1 216.325 -0.388 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@@H](O)C1 ZINC000388103097 488023470 /nfs/dbraw/zinc/02/34/70/488023470.db2.gz VSZCNEIFOFCOPE-VWYCJHECSA-N 2 1 216.325 -0.388 20 0 BBADMP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@H]1O ZINC000388188741 711053877 /nfs/dbraw/zinc/05/38/77/711053877.db2.gz PNHMTPMCLRWOMM-GRYCIOLGSA-N 2 1 228.336 -0.244 20 0 BBADMP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@H]1O ZINC000388188741 711053872 /nfs/dbraw/zinc/05/38/72/711053872.db2.gz PNHMTPMCLRWOMM-GRYCIOLGSA-N 2 1 228.336 -0.244 20 0 BBADMP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@H]1O ZINC000388188742 711053482 /nfs/dbraw/zinc/05/34/82/711053482.db2.gz PNHMTPMCLRWOMM-IJLUTSLNSA-N 2 1 228.336 -0.244 20 0 BBADMP C[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@H]1O ZINC000388188742 711053481 /nfs/dbraw/zinc/05/34/81/711053481.db2.gz PNHMTPMCLRWOMM-IJLUTSLNSA-N 2 1 228.336 -0.244 20 0 BBADMP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@H]1O ZINC000388188743 711053458 /nfs/dbraw/zinc/05/34/58/711053458.db2.gz PNHMTPMCLRWOMM-UTUOFQBUSA-N 2 1 228.336 -0.244 20 0 BBADMP C[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@H]1O ZINC000388188743 711053455 /nfs/dbraw/zinc/05/34/55/711053455.db2.gz PNHMTPMCLRWOMM-UTUOFQBUSA-N 2 1 228.336 -0.244 20 0 BBADMP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1O ZINC000388188744 711052924 /nfs/dbraw/zinc/05/29/24/711052924.db2.gz PNHMTPMCLRWOMM-WOPDTQHZSA-N 2 1 228.336 -0.244 20 0 BBADMP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1O ZINC000388188744 711052921 /nfs/dbraw/zinc/05/29/21/711052921.db2.gz PNHMTPMCLRWOMM-WOPDTQHZSA-N 2 1 228.336 -0.244 20 0 BBADMP C[C@@H](C[NH3+])CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000389225814 355895301 /nfs/dbraw/zinc/89/53/01/355895301.db2.gz PZXSKQQYEFQLEE-BQBZGAKWSA-N 2 1 203.311 -0.640 20 0 BBADMP C[C@H](C[NH3+])CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000389225815 355894973 /nfs/dbraw/zinc/89/49/73/355894973.db2.gz PZXSKQQYEFQLEE-RQJHMYQMSA-N 2 1 203.311 -0.640 20 0 BBADMP C[C@H]([NH3+])CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000389273660 355939597 /nfs/dbraw/zinc/93/95/97/355939597.db2.gz NCBYRBFTOIXVOS-BQBZGAKWSA-N 2 1 203.311 -0.498 20 0 BBADMP C[N@@H+](CCCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000389322821 711075734 /nfs/dbraw/zinc/07/57/34/711075734.db2.gz ICJBPGBVOKNXJB-LLVKDONJSA-N 2 1 216.325 -0.243 20 0 BBADMP C[N@H+](CCCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000389322821 711075729 /nfs/dbraw/zinc/07/57/29/711075729.db2.gz ICJBPGBVOKNXJB-LLVKDONJSA-N 2 1 216.325 -0.243 20 0 BBADMP C[N@@H+](CCCO)C[C@H](O)C[NH+]1CCCC1 ZINC000389322826 711075287 /nfs/dbraw/zinc/07/52/87/711075287.db2.gz ICJBPGBVOKNXJB-NSHDSACASA-N 2 1 216.325 -0.243 20 0 BBADMP C[N@H+](CCCO)C[C@H](O)C[NH+]1CCCC1 ZINC000389322826 711075285 /nfs/dbraw/zinc/07/52/85/711075285.db2.gz ICJBPGBVOKNXJB-NSHDSACASA-N 2 1 216.325 -0.243 20 0 BBADMP CN(C)S(=O)(=O)CC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000389373695 398079168 /nfs/dbraw/zinc/07/91/68/398079168.db2.gz NGMZGLOMFUREIJ-SECBINFHSA-N 2 1 235.353 -0.842 20 0 BBADMP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000389373695 398079161 /nfs/dbraw/zinc/07/91/61/398079161.db2.gz NGMZGLOMFUREIJ-SECBINFHSA-N 2 1 235.353 -0.842 20 0 BBADMP CN(C)S(=O)(=O)CC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000389373697 398079289 /nfs/dbraw/zinc/07/92/89/398079289.db2.gz NGMZGLOMFUREIJ-VIFPVBQESA-N 2 1 235.353 -0.842 20 0 BBADMP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000389373697 398079285 /nfs/dbraw/zinc/07/92/85/398079285.db2.gz NGMZGLOMFUREIJ-VIFPVBQESA-N 2 1 235.353 -0.842 20 0 BBADMP C[C@@H](O)C[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000389598550 711082863 /nfs/dbraw/zinc/08/28/63/711082863.db2.gz RRYHHNISEUSDPE-GHMZBOCLSA-N 2 1 216.325 -0.244 20 0 BBADMP C[C@@H](O)C[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000389598550 711082857 /nfs/dbraw/zinc/08/28/57/711082857.db2.gz RRYHHNISEUSDPE-GHMZBOCLSA-N 2 1 216.325 -0.244 20 0 BBADMP C[C@@H](O)C[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000389598560 711083191 /nfs/dbraw/zinc/08/31/91/711083191.db2.gz RRYHHNISEUSDPE-MNOVXSKESA-N 2 1 216.325 -0.244 20 0 BBADMP C[C@@H](O)C[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000389598560 711083187 /nfs/dbraw/zinc/08/31/87/711083187.db2.gz RRYHHNISEUSDPE-MNOVXSKESA-N 2 1 216.325 -0.244 20 0 BBADMP C[C@H](O)C[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000389598563 711083068 /nfs/dbraw/zinc/08/30/68/711083068.db2.gz RRYHHNISEUSDPE-QWRGUYRKSA-N 2 1 216.325 -0.244 20 0 BBADMP C[C@H](O)C[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000389598563 711083066 /nfs/dbraw/zinc/08/30/66/711083066.db2.gz RRYHHNISEUSDPE-QWRGUYRKSA-N 2 1 216.325 -0.244 20 0 BBADMP CN1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC1=O ZINC000389611920 711082432 /nfs/dbraw/zinc/08/24/32/711082432.db2.gz DSKZNHMFXPNHKI-ZJUUUORDSA-N 2 1 211.309 -0.112 20 0 BBADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH2+]2)C1 ZINC000389665960 488105676 /nfs/dbraw/zinc/10/56/76/488105676.db2.gz TWLMKTILURZJRY-NXEZZACHSA-N 2 1 211.309 -0.051 20 0 BBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+]2)C1 ZINC000389665962 487831072 /nfs/dbraw/zinc/83/10/72/487831072.db2.gz TWLMKTILURZJRY-VHSXEESVSA-N 2 1 211.309 -0.051 20 0 BBADMP CCC[N@H+]1CC[C@H](NC(=O)COCC[NH3+])C1 ZINC000389699295 488106845 /nfs/dbraw/zinc/10/68/45/488106845.db2.gz GIEMXTRHNRJZMI-JTQLQIEISA-N 2 1 229.324 -0.438 20 0 BBADMP CCC[N@H+]1CC[C@@H](NC(=O)COCC[NH3+])C1 ZINC000389699296 488106681 /nfs/dbraw/zinc/10/66/81/488106681.db2.gz GIEMXTRHNRJZMI-SNVBAGLBSA-N 2 1 229.324 -0.438 20 0 BBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H](C[NH3+])OC)C1 ZINC000389723835 711088264 /nfs/dbraw/zinc/08/82/64/711088264.db2.gz KOCCYRZYGIOMKK-UWVGGRQHSA-N 2 1 229.324 -0.439 20 0 BBADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C[NH3+])OC)C1 ZINC000389723837 711088291 /nfs/dbraw/zinc/08/82/91/711088291.db2.gz KOCCYRZYGIOMKK-ZJUUUORDSA-N 2 1 229.324 -0.439 20 0 BBADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000389814555 488113089 /nfs/dbraw/zinc/11/30/89/488113089.db2.gz RLZOQRSDOMEHDG-GHMZBOCLSA-N 2 1 241.335 -0.425 20 0 BBADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000389814556 488113146 /nfs/dbraw/zinc/11/31/46/488113146.db2.gz RLZOQRSDOMEHDG-MNOVXSKESA-N 2 1 241.335 -0.425 20 0 BBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000389814557 488113280 /nfs/dbraw/zinc/11/32/80/488113280.db2.gz RLZOQRSDOMEHDG-QWRGUYRKSA-N 2 1 241.335 -0.425 20 0 BBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000389814558 488113167 /nfs/dbraw/zinc/11/31/67/488113167.db2.gz RLZOQRSDOMEHDG-WDEREUQCSA-N 2 1 241.335 -0.425 20 0 BBADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CCOC)C1 ZINC000389851961 711092423 /nfs/dbraw/zinc/09/24/23/711092423.db2.gz CBKPUDSPSIOXDA-GHMZBOCLSA-N 2 1 243.351 -0.049 20 0 BBADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCOC)C1 ZINC000389851962 711092768 /nfs/dbraw/zinc/09/27/68/711092768.db2.gz CBKPUDSPSIOXDA-MNOVXSKESA-N 2 1 243.351 -0.049 20 0 BBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCOC)C1 ZINC000389851963 711092785 /nfs/dbraw/zinc/09/27/85/711092785.db2.gz CBKPUDSPSIOXDA-QWRGUYRKSA-N 2 1 243.351 -0.049 20 0 BBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCOC)C1 ZINC000389851964 711091933 /nfs/dbraw/zinc/09/19/33/711091933.db2.gz CBKPUDSPSIOXDA-WDEREUQCSA-N 2 1 243.351 -0.049 20 0 BBADMP [NH3+]CCOCC[N@@H+](CCCO)C1CC1 ZINC000389857908 397997428 /nfs/dbraw/zinc/99/74/28/397997428.db2.gz BTBUOAQXWUPENB-UHFFFAOYSA-N 2 1 202.298 -0.192 20 0 BBADMP CCC[N@H+]1CC[C@@H](NC(=O)C[C@H](C[NH3+])OC)C1 ZINC000389862890 488120995 /nfs/dbraw/zinc/12/09/95/488120995.db2.gz GAJDRQYLWXUVME-GHMZBOCLSA-N 2 1 243.351 -0.049 20 0 BBADMP CCC[N@H+]1CC[C@@H](NC(=O)C[C@@H](C[NH3+])OC)C1 ZINC000389862892 488120866 /nfs/dbraw/zinc/12/08/66/488120866.db2.gz GAJDRQYLWXUVME-MNOVXSKESA-N 2 1 243.351 -0.049 20 0 BBADMP CCC[N@H+]1CC[C@H](NC(=O)C[C@@H](C[NH3+])OC)C1 ZINC000389862893 488121011 /nfs/dbraw/zinc/12/10/11/488121011.db2.gz GAJDRQYLWXUVME-QWRGUYRKSA-N 2 1 243.351 -0.049 20 0 BBADMP CCC[N@H+]1CC[C@H](NC(=O)C[C@H](C[NH3+])OC)C1 ZINC000389862896 488120881 /nfs/dbraw/zinc/12/08/81/488120881.db2.gz GAJDRQYLWXUVME-WDEREUQCSA-N 2 1 243.351 -0.049 20 0 BBADMP [NH3+]CCOCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000389876682 357058298 /nfs/dbraw/zinc/05/82/98/357058298.db2.gz MEFPTURJLJFSTK-JTQLQIEISA-N 2 1 201.314 -0.368 20 0 BBADMP [NH3+]CCOCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000389876684 357058160 /nfs/dbraw/zinc/05/81/60/357058160.db2.gz MEFPTURJLJFSTK-SNVBAGLBSA-N 2 1 201.314 -0.368 20 0 BBADMP CCC[N@H+]1CC[C@@H](NC(=O)C[NH2+]CCOC)C1 ZINC000389884600 487844683 /nfs/dbraw/zinc/84/46/83/487844683.db2.gz LHFIAZRGIRSIMQ-LLVKDONJSA-N 2 1 243.351 -0.177 20 0 BBADMP CCC[N@H+]1CC[C@H](NC(=O)C[NH2+]CCOC)C1 ZINC000389884708 488121863 /nfs/dbraw/zinc/12/18/63/488121863.db2.gz LHFIAZRGIRSIMQ-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCOCC[NH3+] ZINC000389893958 357061535 /nfs/dbraw/zinc/06/15/35/357061535.db2.gz XQFHUOBZUNDDOV-NXEZZACHSA-N 3 1 201.314 -0.369 20 0 BBADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCOCC[NH3+] ZINC000389893959 357060905 /nfs/dbraw/zinc/06/09/05/357060905.db2.gz XQFHUOBZUNDDOV-UWVGGRQHSA-N 3 1 201.314 -0.369 20 0 BBADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCOCC[NH3+] ZINC000389893960 357061471 /nfs/dbraw/zinc/06/14/71/357061471.db2.gz XQFHUOBZUNDDOV-VHSXEESVSA-N 3 1 201.314 -0.369 20 0 BBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCOCC[NH3+] ZINC000389893961 357060981 /nfs/dbraw/zinc/06/09/81/357060981.db2.gz XQFHUOBZUNDDOV-ZJUUUORDSA-N 3 1 201.314 -0.369 20 0 BBADMP C[C@@]1(C[NH3+])CCN(CCOCC[NH3+])C1 ZINC000389958475 357073282 /nfs/dbraw/zinc/07/32/82/357073282.db2.gz VDHIRDVJVVENAT-JTQLQIEISA-N 2 1 201.314 -0.368 20 0 BBADMP C[C@@]1(C[NH3+])CC[N@@H+](CCOCC[NH3+])C1 ZINC000389958475 357073280 /nfs/dbraw/zinc/07/32/80/357073280.db2.gz VDHIRDVJVVENAT-JTQLQIEISA-N 3 1 201.314 -0.368 20 0 BBADMP C[C@]1(C[NH3+])CCN(CCOCC[NH3+])C1 ZINC000389958476 357073070 /nfs/dbraw/zinc/07/30/70/357073070.db2.gz VDHIRDVJVVENAT-SNVBAGLBSA-N 2 1 201.314 -0.368 20 0 BBADMP C[C@]1(C[NH3+])CC[N@@H+](CCOCC[NH3+])C1 ZINC000389958476 357073068 /nfs/dbraw/zinc/07/30/68/357073068.db2.gz VDHIRDVJVVENAT-SNVBAGLBSA-N 3 1 201.314 -0.368 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000390373355 357091115 /nfs/dbraw/zinc/09/11/15/357091115.db2.gz WQWBYRKFTSSUTP-GHMZBOCLSA-N 3 1 213.325 -0.355 20 0 BBADMP [NH3+]CCOCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000390373355 357091112 /nfs/dbraw/zinc/09/11/12/357091112.db2.gz WQWBYRKFTSSUTP-GHMZBOCLSA-N 3 1 213.325 -0.355 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000390373357 357090901 /nfs/dbraw/zinc/09/09/01/357090901.db2.gz WQWBYRKFTSSUTP-MNOVXSKESA-N 3 1 213.325 -0.355 20 0 BBADMP [NH3+]CCOCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000390373357 357090900 /nfs/dbraw/zinc/09/09/00/357090900.db2.gz WQWBYRKFTSSUTP-MNOVXSKESA-N 3 1 213.325 -0.355 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000390373358 357091084 /nfs/dbraw/zinc/09/10/84/357091084.db2.gz WQWBYRKFTSSUTP-QWRGUYRKSA-N 3 1 213.325 -0.355 20 0 BBADMP [NH3+]CCOCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000390373358 357091083 /nfs/dbraw/zinc/09/10/83/357091083.db2.gz WQWBYRKFTSSUTP-QWRGUYRKSA-N 3 1 213.325 -0.355 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000390373359 357091286 /nfs/dbraw/zinc/09/12/86/357091286.db2.gz WQWBYRKFTSSUTP-WDEREUQCSA-N 3 1 213.325 -0.355 20 0 BBADMP [NH3+]CCOCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000390373359 357091284 /nfs/dbraw/zinc/09/12/84/357091284.db2.gz WQWBYRKFTSSUTP-WDEREUQCSA-N 3 1 213.325 -0.355 20 0 BBADMP NC(=O)CC[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000390456909 357093726 /nfs/dbraw/zinc/09/37/26/357093726.db2.gz AJOZYWGDAXKIAF-JTQLQIEISA-N 2 1 229.324 -0.702 20 0 BBADMP NC(=O)CC[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000390456911 357093784 /nfs/dbraw/zinc/09/37/84/357093784.db2.gz AJOZYWGDAXKIAF-SNVBAGLBSA-N 2 1 229.324 -0.702 20 0 BBADMP C[NH2+]C[C@H]1CCCN(CCOCC[NH3+])C1 ZINC000390564224 357105115 /nfs/dbraw/zinc/10/51/15/357105115.db2.gz SRQHSPAGTLYRNN-LLVKDONJSA-N 2 1 215.341 -0.107 20 0 BBADMP C[NH2+]C[C@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000390564224 357105113 /nfs/dbraw/zinc/10/51/13/357105113.db2.gz SRQHSPAGTLYRNN-LLVKDONJSA-N 3 1 215.341 -0.107 20 0 BBADMP C[NH2+]C[C@@H]1CCCN(CCOCC[NH3+])C1 ZINC000390564226 357105015 /nfs/dbraw/zinc/10/50/15/357105015.db2.gz SRQHSPAGTLYRNN-NSHDSACASA-N 2 1 215.341 -0.107 20 0 BBADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000390564226 357105012 /nfs/dbraw/zinc/10/50/12/357105012.db2.gz SRQHSPAGTLYRNN-NSHDSACASA-N 3 1 215.341 -0.107 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CN(C)[C@@H](C)CO ZINC000390566359 347394235 /nfs/dbraw/zinc/39/42/35/347394235.db2.gz LVYRVQQPMRNANJ-WDEREUQCSA-N 2 1 234.340 -0.762 20 0 BBADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCS(=O)(=O)N(C)C)C1 ZINC000390584718 346133508 /nfs/dbraw/zinc/13/35/08/346133508.db2.gz QJRJRHFEEQTZJA-NXEZZACHSA-N 2 1 249.380 -0.453 20 0 BBADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCS(=O)(=O)N(C)C)C1 ZINC000390584718 346133507 /nfs/dbraw/zinc/13/35/07/346133507.db2.gz QJRJRHFEEQTZJA-NXEZZACHSA-N 2 1 249.380 -0.453 20 0 BBADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCS(=O)(=O)N(C)C)C1 ZINC000390584719 346133453 /nfs/dbraw/zinc/13/34/53/346133453.db2.gz QJRJRHFEEQTZJA-UWVGGRQHSA-N 2 1 249.380 -0.453 20 0 BBADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CCS(=O)(=O)N(C)C)C1 ZINC000390584719 346133450 /nfs/dbraw/zinc/13/34/50/346133450.db2.gz QJRJRHFEEQTZJA-UWVGGRQHSA-N 2 1 249.380 -0.453 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCS(=O)(=O)N(C)C)C1 ZINC000390584720 346133538 /nfs/dbraw/zinc/13/35/38/346133538.db2.gz QJRJRHFEEQTZJA-VHSXEESVSA-N 2 1 249.380 -0.453 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCS(=O)(=O)N(C)C)C1 ZINC000390584720 346133536 /nfs/dbraw/zinc/13/35/36/346133536.db2.gz QJRJRHFEEQTZJA-VHSXEESVSA-N 2 1 249.380 -0.453 20 0 BBADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCS(=O)(=O)N(C)C)C1 ZINC000390584721 346133492 /nfs/dbraw/zinc/13/34/92/346133492.db2.gz QJRJRHFEEQTZJA-ZJUUUORDSA-N 2 1 249.380 -0.453 20 0 BBADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCS(=O)(=O)N(C)C)C1 ZINC000390584721 346133491 /nfs/dbraw/zinc/13/34/91/346133491.db2.gz QJRJRHFEEQTZJA-ZJUUUORDSA-N 2 1 249.380 -0.453 20 0 BBADMP C[C@@]1(C(=O)NCC(F)(F)C[NH3+])CC[NH2+]C1 ZINC000390597870 357111881 /nfs/dbraw/zinc/11/18/81/357111881.db2.gz ARQALUFWMXVFAX-MRVPVSSYSA-N 2 1 221.251 -0.304 20 0 BBADMP C[C@]1(C(=O)NCC(F)(F)C[NH3+])CC[NH2+]C1 ZINC000390597876 357111639 /nfs/dbraw/zinc/11/16/39/357111639.db2.gz ARQALUFWMXVFAX-QMMMGPOBSA-N 2 1 221.251 -0.304 20 0 BBADMP Cc1cc(NC[C@H](O)C[NH+](C)C)nc(C)[nH+]1 ZINC000390598500 711127618 /nfs/dbraw/zinc/12/76/18/711127618.db2.gz ATPMPLLKSWPQRD-JTQLQIEISA-N 2 1 224.308 -0.150 20 0 BBADMP Cc1cc(NC[C@@H](O)C[NH+](C)C)nc(C)[nH+]1 ZINC000390598501 711127985 /nfs/dbraw/zinc/12/79/85/711127985.db2.gz ATPMPLLKSWPQRD-SNVBAGLBSA-N 2 1 224.308 -0.150 20 0 BBADMP CC1(C)C[NH2+][C@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000390612062 398175204 /nfs/dbraw/zinc/17/52/04/398175204.db2.gz FKAOVJMDYFRBQJ-LURJTMIESA-N 2 1 221.251 -0.305 20 0 BBADMP CC1(C)C[NH2+][C@@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000390612069 398175281 /nfs/dbraw/zinc/17/52/81/398175281.db2.gz FKAOVJMDYFRBQJ-ZCFIWIBFSA-N 2 1 221.251 -0.305 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN(C)CCCO ZINC000390614669 357107601 /nfs/dbraw/zinc/10/76/01/357107601.db2.gz CLQPZLLKIDIXFB-LLVKDONJSA-N 2 1 234.340 -0.760 20 0 BBADMP COCC[N@H+](C)C[C@H](O)CN(C)CCCO ZINC000390614669 357107596 /nfs/dbraw/zinc/10/75/96/357107596.db2.gz CLQPZLLKIDIXFB-LLVKDONJSA-N 2 1 234.340 -0.760 20 0 BBADMP COCCN(C)C[C@H](O)C[N@@H+](C)CCCO ZINC000390614669 357107593 /nfs/dbraw/zinc/10/75/93/357107593.db2.gz CLQPZLLKIDIXFB-LLVKDONJSA-N 2 1 234.340 -0.760 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CN(C)CCCO ZINC000390614670 357107514 /nfs/dbraw/zinc/10/75/14/357107514.db2.gz CLQPZLLKIDIXFB-NSHDSACASA-N 2 1 234.340 -0.760 20 0 BBADMP COCC[N@H+](C)C[C@@H](O)CN(C)CCCO ZINC000390614670 357107513 /nfs/dbraw/zinc/10/75/13/357107513.db2.gz CLQPZLLKIDIXFB-NSHDSACASA-N 2 1 234.340 -0.760 20 0 BBADMP COCCN(C)C[C@@H](O)C[N@@H+](C)CCCO ZINC000390614670 357107512 /nfs/dbraw/zinc/10/75/12/357107512.db2.gz CLQPZLLKIDIXFB-NSHDSACASA-N 2 1 234.340 -0.760 20 0 BBADMP CN1CCC[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000390651424 488171581 /nfs/dbraw/zinc/17/15/81/488171581.db2.gz PGZALGNWBZKOTJ-AXFHLTTASA-N 2 1 223.320 -0.242 20 0 BBADMP CN1CCC[C@@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000390651430 487759824 /nfs/dbraw/zinc/75/98/24/487759824.db2.gz PGZALGNWBZKOTJ-OUAUKWLOSA-N 2 1 223.320 -0.242 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CN(C)C[C@@H](C)[NH3+] ZINC000390662421 711130804 /nfs/dbraw/zinc/13/08/04/711130804.db2.gz QOATUBBLGAHCAX-GHMZBOCLSA-N 2 1 233.356 -0.796 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN(C)C[C@@H](C)[NH3+] ZINC000390662425 711130466 /nfs/dbraw/zinc/13/04/66/711130466.db2.gz QOATUBBLGAHCAX-MNOVXSKESA-N 2 1 233.356 -0.796 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN(C)C[C@H](C)[NH3+] ZINC000390662426 711130963 /nfs/dbraw/zinc/13/09/63/711130963.db2.gz QOATUBBLGAHCAX-QWRGUYRKSA-N 2 1 233.356 -0.796 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CN(C)C[C@H](C)[NH3+] ZINC000390662428 711131109 /nfs/dbraw/zinc/13/11/09/711131109.db2.gz QOATUBBLGAHCAX-WDEREUQCSA-N 2 1 233.356 -0.796 20 0 BBADMP O=C([C@H]1CC[NH2+]1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000390767113 357115602 /nfs/dbraw/zinc/11/56/02/357115602.db2.gz RTKCNHWHHGNUJO-RNFRBKRXSA-N 2 1 219.235 -0.586 20 0 BBADMP O=C([C@H]1CC[NH2+]1)N1CC[NH2+]C[C@H]1C(F)F ZINC000390767114 357115580 /nfs/dbraw/zinc/11/55/80/357115580.db2.gz RTKCNHWHHGNUJO-RQJHMYQMSA-N 2 1 219.235 -0.586 20 0 BBADMP C[NH2+]CCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000390814173 357926181 /nfs/dbraw/zinc/92/61/81/357926181.db2.gz GEDGMQDWZFRMIO-UHFFFAOYSA-N 3 1 214.357 -0.567 20 0 BBADMP C[NH2+]CCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000390814173 357926175 /nfs/dbraw/zinc/92/61/75/357926175.db2.gz GEDGMQDWZFRMIO-UHFFFAOYSA-N 3 1 214.357 -0.567 20 0 BBADMP O=C(NCC[N@@H+]1CC=CCC1)[C@H]1CC[NH2+]1 ZINC000392804005 357234673 /nfs/dbraw/zinc/23/46/73/357234673.db2.gz AKZVGZDVISDMRE-SNVBAGLBSA-N 2 1 209.293 -0.274 20 0 BBADMP O=C(NCC[N@H+]1CC=CCC1)[C@H]1CC[NH2+]1 ZINC000392804005 357234670 /nfs/dbraw/zinc/23/46/70/357234670.db2.gz AKZVGZDVISDMRE-SNVBAGLBSA-N 2 1 209.293 -0.274 20 0 BBADMP O=C(NCC[N@@H+]1CC=CCC1)[C@H]1C[NH2+]CCO1 ZINC000392816861 398335420 /nfs/dbraw/zinc/33/54/20/398335420.db2.gz MNTUZENLUKHLJF-LLVKDONJSA-N 2 1 239.319 -0.647 20 0 BBADMP O=C(NCC[N@@H+]1CC=CCC1)[C@@H]1C[NH2+]CCO1 ZINC000392816862 398335432 /nfs/dbraw/zinc/33/54/32/398335432.db2.gz MNTUZENLUKHLJF-NSHDSACASA-N 2 1 239.319 -0.647 20 0 BBADMP [NH3+]CCOCC(=O)NCC[N@@H+]1CC=CCC1 ZINC000392832962 398335662 /nfs/dbraw/zinc/33/56/62/398335662.db2.gz GHIPIZAMMZAJLF-UHFFFAOYSA-N 2 1 227.308 -0.660 20 0 BBADMP C[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392843711 387294151 /nfs/dbraw/zinc/29/41/51/387294151.db2.gz AUXOPRVZUCLLRJ-JTQLQIEISA-N 2 1 211.309 -0.028 20 0 BBADMP C[NH2+][C@@H](C)C(=O)NCC[N@H+]1CC=CCC1 ZINC000392843711 387294150 /nfs/dbraw/zinc/29/41/50/387294150.db2.gz AUXOPRVZUCLLRJ-JTQLQIEISA-N 2 1 211.309 -0.028 20 0 BBADMP C[NH2+]CCC(=O)NCC[N@@H+]1CC=CCC1 ZINC000392848139 387293818 /nfs/dbraw/zinc/29/38/18/387293818.db2.gz DGOUXRMZXDWGCN-UHFFFAOYSA-N 2 1 211.309 -0.026 20 0 BBADMP COCC[NH2+]CC(=O)NCC[N@@H+]1CC=CCC1 ZINC000392861308 357260201 /nfs/dbraw/zinc/26/02/01/357260201.db2.gz KJQMXAIFXVETOJ-UHFFFAOYSA-N 2 1 241.335 -0.400 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392863228 357260040 /nfs/dbraw/zinc/26/00/40/357260040.db2.gz QNOICRJEAAGCKT-JTQLQIEISA-N 2 1 227.308 -0.662 20 0 BBADMP CO[C@H](C[NH3+])C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392863229 357259593 /nfs/dbraw/zinc/25/95/93/357259593.db2.gz QNOICRJEAAGCKT-SNVBAGLBSA-N 2 1 227.308 -0.662 20 0 BBADMP OCCOCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000392871525 711154084 /nfs/dbraw/zinc/15/40/84/711154084.db2.gz ZIUVSDLSPPHDCM-KKJSVHSVSA-N 2 1 226.320 -0.419 20 0 BBADMP OCCOCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000392871528 712846307 /nfs/dbraw/zinc/84/63/07/712846307.db2.gz ZIUVSDLSPPHDCM-NGDQXYMTSA-N 2 1 226.320 -0.419 20 0 BBADMP OCCOCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000392871530 712846399 /nfs/dbraw/zinc/84/63/99/712846399.db2.gz ZIUVSDLSPPHDCM-RNWYCLNJSA-N 2 1 226.320 -0.419 20 0 BBADMP C[C@@H](C[NH3+])C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392873712 357261167 /nfs/dbraw/zinc/26/11/67/357261167.db2.gz KYJMTMAEIGAAPB-JTQLQIEISA-N 2 1 211.309 -0.041 20 0 BBADMP C[C@H](C[NH3+])C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392873714 357260786 /nfs/dbraw/zinc/26/07/86/357260786.db2.gz KYJMTMAEIGAAPB-SNVBAGLBSA-N 2 1 211.309 -0.041 20 0 BBADMP CO[C@@H](C[NH3+])CC(=O)NCC[N@@H+]1CC=CCC1 ZINC000392906383 357263417 /nfs/dbraw/zinc/26/34/17/357263417.db2.gz UCISUVHGBYTHBB-LLVKDONJSA-N 2 1 241.335 -0.272 20 0 BBADMP CO[C@H](C[NH3+])CC(=O)NCC[N@@H+]1CC=CCC1 ZINC000392906386 357263008 /nfs/dbraw/zinc/26/30/08/357263008.db2.gz UCISUVHGBYTHBB-NSHDSACASA-N 2 1 241.335 -0.272 20 0 BBADMP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)[C@@H]1COCCO1 ZINC000392920775 711153923 /nfs/dbraw/zinc/15/39/23/711153923.db2.gz OAONFGDWNFWUDJ-ASHHDVGLSA-N 2 1 238.331 -0.012 20 0 BBADMP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@@H]1COCCO1 ZINC000392920776 711153175 /nfs/dbraw/zinc/15/31/75/711153175.db2.gz OAONFGDWNFWUDJ-JSAZDUPASA-N 2 1 238.331 -0.012 20 0 BBADMP C([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)[C@@H]1COCCO1 ZINC000392920778 711153257 /nfs/dbraw/zinc/15/32/57/711153257.db2.gz OAONFGDWNFWUDJ-NURVWSNCSA-N 2 1 238.331 -0.012 20 0 BBADMP Cc1nc(N)nc(NCC2=CC[N@@H+](C)CC2)n1 ZINC000392927247 411945364 /nfs/dbraw/zinc/94/53/64/411945364.db2.gz RETPIFLROROTBP-UHFFFAOYSA-N 2 1 234.307 -0.142 20 0 BBADMP C[C@@H](C[NH3+])CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000393207958 387872937 /nfs/dbraw/zinc/87/29/37/387872937.db2.gz HQRYDPNRQOKZNZ-YIZRAAEISA-N 2 1 215.297 -0.926 20 0 BBADMP C[NH2+]CCCN(C)C(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000393264850 387900326 /nfs/dbraw/zinc/90/03/26/387900326.db2.gz NPKSPKLZIYUJCU-ZJUUUORDSA-N 2 1 229.324 -0.569 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H](C)O ZINC000393675057 357292683 /nfs/dbraw/zinc/29/26/83/357292683.db2.gz USZOKVQCXFGKEZ-NXEZZACHSA-N 2 1 204.314 -0.388 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H](C)O ZINC000393675057 357292678 /nfs/dbraw/zinc/29/26/78/357292678.db2.gz USZOKVQCXFGKEZ-NXEZZACHSA-N 2 1 204.314 -0.388 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H](C)O ZINC000393675057 357292675 /nfs/dbraw/zinc/29/26/75/357292675.db2.gz USZOKVQCXFGKEZ-NXEZZACHSA-N 2 1 204.314 -0.388 20 0 BBADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@@H](C)O ZINC000393675057 357292671 /nfs/dbraw/zinc/29/26/71/357292671.db2.gz USZOKVQCXFGKEZ-NXEZZACHSA-N 2 1 204.314 -0.388 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H](C)O ZINC000393675060 487576599 /nfs/dbraw/zinc/57/65/99/487576599.db2.gz USZOKVQCXFGKEZ-UWVGGRQHSA-N 2 1 204.314 -0.388 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H](C)O ZINC000393675060 487576597 /nfs/dbraw/zinc/57/65/97/487576597.db2.gz USZOKVQCXFGKEZ-UWVGGRQHSA-N 2 1 204.314 -0.388 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H](C)O ZINC000393675060 487576595 /nfs/dbraw/zinc/57/65/95/487576595.db2.gz USZOKVQCXFGKEZ-UWVGGRQHSA-N 2 1 204.314 -0.388 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H](C)O ZINC000393675060 487576592 /nfs/dbraw/zinc/57/65/92/487576592.db2.gz USZOKVQCXFGKEZ-UWVGGRQHSA-N 2 1 204.314 -0.388 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H](C)O ZINC000393675062 487576792 /nfs/dbraw/zinc/57/67/92/487576792.db2.gz USZOKVQCXFGKEZ-VHSXEESVSA-N 2 1 204.314 -0.388 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H](C)O ZINC000393675062 487576790 /nfs/dbraw/zinc/57/67/90/487576790.db2.gz USZOKVQCXFGKEZ-VHSXEESVSA-N 2 1 204.314 -0.388 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H](C)O ZINC000393675062 487576789 /nfs/dbraw/zinc/57/67/89/487576789.db2.gz USZOKVQCXFGKEZ-VHSXEESVSA-N 2 1 204.314 -0.388 20 0 BBADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H](C)O ZINC000393675062 487576786 /nfs/dbraw/zinc/57/67/86/487576786.db2.gz USZOKVQCXFGKEZ-VHSXEESVSA-N 2 1 204.314 -0.388 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H](C)O ZINC000393675063 357292375 /nfs/dbraw/zinc/29/23/75/357292375.db2.gz USZOKVQCXFGKEZ-ZJUUUORDSA-N 2 1 204.314 -0.388 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H](C)O ZINC000393675063 357292374 /nfs/dbraw/zinc/29/23/74/357292374.db2.gz USZOKVQCXFGKEZ-ZJUUUORDSA-N 2 1 204.314 -0.388 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H](C)O ZINC000393675063 357292373 /nfs/dbraw/zinc/29/23/73/357292373.db2.gz USZOKVQCXFGKEZ-ZJUUUORDSA-N 2 1 204.314 -0.388 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H](C)O ZINC000393675063 357292370 /nfs/dbraw/zinc/29/23/70/357292370.db2.gz USZOKVQCXFGKEZ-ZJUUUORDSA-N 2 1 204.314 -0.388 20 0 BBADMP C[NH+]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000393740454 410757592 /nfs/dbraw/zinc/75/75/92/410757592.db2.gz BIWSHELMPYTUKR-MYJAWHEDSA-N 2 1 209.293 -0.774 20 0 BBADMP C[C@@H](C[NH3+])CNC(=O)c1csc(C[NH3+])n1 ZINC000393744306 357295396 /nfs/dbraw/zinc/29/53/96/357295396.db2.gz IDXKFTKOGHFOPJ-LURJTMIESA-N 2 1 228.321 -0.074 20 0 BBADMP C[C@H](C[NH3+])CNC(=O)c1csc(C[NH3+])n1 ZINC000393744307 357295637 /nfs/dbraw/zinc/29/56/37/357295637.db2.gz IDXKFTKOGHFOPJ-ZCFIWIBFSA-N 2 1 228.321 -0.074 20 0 BBADMP CCNC(=O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000393755477 711172486 /nfs/dbraw/zinc/17/24/86/711172486.db2.gz AMASOAXADCHZRJ-VHSXEESVSA-N 2 1 211.309 -0.336 20 0 BBADMP CCNC(=O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000393755477 711172485 /nfs/dbraw/zinc/17/24/85/711172485.db2.gz AMASOAXADCHZRJ-VHSXEESVSA-N 2 1 211.309 -0.336 20 0 BBADMP COC[C@@]1(C(=O)NCc2cnc[nH]2)CC[NH2+]C1 ZINC000393833181 410759490 /nfs/dbraw/zinc/75/94/90/410759490.db2.gz LRIMMEKYDPFFGN-LLVKDONJSA-N 2 1 238.291 -0.348 20 0 BBADMP COC[C@]1(C(=O)NCc2cnc[nH]2)CC[NH2+]C1 ZINC000393833184 410759847 /nfs/dbraw/zinc/75/98/47/410759847.db2.gz LRIMMEKYDPFFGN-NSHDSACASA-N 2 1 238.291 -0.348 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(N)=O)CC1 ZINC000393846284 259399585 /nfs/dbraw/zinc/39/95/85/259399585.db2.gz FMCGXLKVLZUGJA-LLVKDONJSA-N 2 1 243.351 -0.504 20 0 BBADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(N)=O)CC1 ZINC000393846284 259399583 /nfs/dbraw/zinc/39/95/83/259399583.db2.gz FMCGXLKVLZUGJA-LLVKDONJSA-N 2 1 243.351 -0.504 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(N)=O)CC1 ZINC000393846285 259399602 /nfs/dbraw/zinc/39/96/02/259399602.db2.gz FMCGXLKVLZUGJA-NSHDSACASA-N 2 1 243.351 -0.504 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(N)=O)CC1 ZINC000393846285 259399601 /nfs/dbraw/zinc/39/96/01/259399601.db2.gz FMCGXLKVLZUGJA-NSHDSACASA-N 2 1 243.351 -0.504 20 0 BBADMP C[N@@H+](C[C@H](O)C[NH2+]CC(C)(CO)CO)C1CC1 ZINC000393859793 357303485 /nfs/dbraw/zinc/30/34/85/357303485.db2.gz FRXGURNVRIVMNP-LLVKDONJSA-N 2 1 246.351 -0.978 20 0 BBADMP C[N@H+](C[C@H](O)C[NH2+]CC(C)(CO)CO)C1CC1 ZINC000393859793 357303482 /nfs/dbraw/zinc/30/34/82/357303482.db2.gz FRXGURNVRIVMNP-LLVKDONJSA-N 2 1 246.351 -0.978 20 0 BBADMP C[N@@H+](C[C@H](O)CNCC(C)(CO)CO)C1CC1 ZINC000393859793 357303478 /nfs/dbraw/zinc/30/34/78/357303478.db2.gz FRXGURNVRIVMNP-LLVKDONJSA-N 2 1 246.351 -0.978 20 0 BBADMP C[N@H+](C[C@H](O)CNCC(C)(CO)CO)C1CC1 ZINC000393859793 357303474 /nfs/dbraw/zinc/30/34/74/357303474.db2.gz FRXGURNVRIVMNP-LLVKDONJSA-N 2 1 246.351 -0.978 20 0 BBADMP C[N@@H+](C[C@@H](O)C[NH2+]CC(C)(CO)CO)C1CC1 ZINC000393859794 357303133 /nfs/dbraw/zinc/30/31/33/357303133.db2.gz FRXGURNVRIVMNP-NSHDSACASA-N 2 1 246.351 -0.978 20 0 BBADMP C[N@H+](C[C@@H](O)C[NH2+]CC(C)(CO)CO)C1CC1 ZINC000393859794 357303130 /nfs/dbraw/zinc/30/31/30/357303130.db2.gz FRXGURNVRIVMNP-NSHDSACASA-N 2 1 246.351 -0.978 20 0 BBADMP C[N@@H+](C[C@@H](O)CNCC(C)(CO)CO)C1CC1 ZINC000393859794 357303128 /nfs/dbraw/zinc/30/31/28/357303128.db2.gz FRXGURNVRIVMNP-NSHDSACASA-N 2 1 246.351 -0.978 20 0 BBADMP C[N@H+](C[C@@H](O)CNCC(C)(CO)CO)C1CC1 ZINC000393859794 357303124 /nfs/dbraw/zinc/30/31/24/357303124.db2.gz FRXGURNVRIVMNP-NSHDSACASA-N 2 1 246.351 -0.978 20 0 BBADMP CC(CO)(CO)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000393865569 353977480 /nfs/dbraw/zinc/97/74/80/353977480.db2.gz UXSMPUFEJJNJHK-LLVKDONJSA-N 2 1 246.351 -0.976 20 0 BBADMP CC(CO)(CO)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000393865570 353977580 /nfs/dbraw/zinc/97/75/80/353977580.db2.gz UXSMPUFEJJNJHK-NSHDSACASA-N 2 1 246.351 -0.976 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CN(CCO)C1CC1 ZINC000393869912 388444680 /nfs/dbraw/zinc/44/46/80/388444680.db2.gz XCPMCQWBMHFBGE-GFCCVEGCSA-N 2 1 246.351 -0.618 20 0 BBADMP COCC[N@H+](C)C[C@@H](O)CN(CCO)C1CC1 ZINC000393869912 388444678 /nfs/dbraw/zinc/44/46/78/388444678.db2.gz XCPMCQWBMHFBGE-GFCCVEGCSA-N 2 1 246.351 -0.618 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN(CCO)C1CC1 ZINC000393869914 388445151 /nfs/dbraw/zinc/44/51/51/388445151.db2.gz XCPMCQWBMHFBGE-LBPRGKRZSA-N 2 1 246.351 -0.618 20 0 BBADMP COCC[N@H+](C)C[C@H](O)CN(CCO)C1CC1 ZINC000393869914 388445149 /nfs/dbraw/zinc/44/51/49/388445149.db2.gz XCPMCQWBMHFBGE-LBPRGKRZSA-N 2 1 246.351 -0.618 20 0 BBADMP C[C@H](CC(N)=O)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000393953585 711179918 /nfs/dbraw/zinc/17/99/18/711179918.db2.gz SBYXXNWEIVVVCK-BYHQFCFISA-N 2 1 223.320 -0.164 20 0 BBADMP C[C@H](CC(N)=O)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000393953586 711180804 /nfs/dbraw/zinc/18/08/04/711180804.db2.gz SBYXXNWEIVVVCK-HIKXWFPXSA-N 2 1 223.320 -0.164 20 0 BBADMP C[C@H](CC(N)=O)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000393953587 711180620 /nfs/dbraw/zinc/18/06/20/711180620.db2.gz SBYXXNWEIVVVCK-XIQFPAHBSA-N 2 1 223.320 -0.164 20 0 BBADMP O[C@]1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CCOC1 ZINC000393959484 711180680 /nfs/dbraw/zinc/18/06/80/711180680.db2.gz MPFCLZYICOFGPS-NFXCPBFJSA-N 2 1 238.331 -0.276 20 0 BBADMP O[C@]1(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CCOC1 ZINC000393959488 711680971 /nfs/dbraw/zinc/68/09/71/711680971.db2.gz MPFCLZYICOFGPS-PJGZEUCASA-N 2 1 238.331 -0.276 20 0 BBADMP O[C@]1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CCOC1 ZINC000393959490 711180349 /nfs/dbraw/zinc/18/03/49/711180349.db2.gz MPFCLZYICOFGPS-QYKGAGETSA-N 2 1 238.331 -0.276 20 0 BBADMP C[C@@H]([NH3+])CC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394378642 487661361 /nfs/dbraw/zinc/66/13/61/487661361.db2.gz ALAATNBJGXJJQC-GHMZBOCLSA-N 2 1 240.351 -0.770 20 0 BBADMP C[C@@H]([NH3+])CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394378643 490480009 /nfs/dbraw/zinc/48/00/09/490480009.db2.gz ALAATNBJGXJJQC-MNOVXSKESA-N 2 1 240.351 -0.770 20 0 BBADMP C[C@H]([NH3+])CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394378644 358040406 /nfs/dbraw/zinc/04/04/06/358040406.db2.gz ALAATNBJGXJJQC-QWRGUYRKSA-N 2 1 240.351 -0.770 20 0 BBADMP C[C@H]([NH3+])CC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394378645 358040248 /nfs/dbraw/zinc/04/02/48/358040248.db2.gz ALAATNBJGXJJQC-WDEREUQCSA-N 2 1 240.351 -0.770 20 0 BBADMP CC(C)([NH3+])C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394379082 487661474 /nfs/dbraw/zinc/66/14/74/487661474.db2.gz BOOCTJXJOGUFPV-JTQLQIEISA-N 2 1 240.351 -0.770 20 0 BBADMP CC(C)([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394379085 487661557 /nfs/dbraw/zinc/66/15/57/487661557.db2.gz BOOCTJXJOGUFPV-SNVBAGLBSA-N 2 1 240.351 -0.770 20 0 BBADMP C[NH2+][C@@H](C)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394380450 487669282 /nfs/dbraw/zinc/66/92/82/487669282.db2.gz HPRZDTAJTVXNOW-QWRGUYRKSA-N 2 1 240.351 -0.900 20 0 BBADMP C[NH2+][C@@H](C)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394380452 487669538 /nfs/dbraw/zinc/66/95/38/487669538.db2.gz HPRZDTAJTVXNOW-WDEREUQCSA-N 2 1 240.351 -0.900 20 0 BBADMP [NH3+]CCCC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394381346 487669823 /nfs/dbraw/zinc/66/98/23/487669823.db2.gz LERQBOQAWJWVNY-LLVKDONJSA-N 2 1 240.351 -0.769 20 0 BBADMP [NH3+]CCCC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394381347 487669578 /nfs/dbraw/zinc/66/95/78/487669578.db2.gz LERQBOQAWJWVNY-NSHDSACASA-N 2 1 240.351 -0.769 20 0 BBADMP C[NH2+]CCC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394381979 487669404 /nfs/dbraw/zinc/66/94/04/487669404.db2.gz OLLHUJFIUPLHRE-LLVKDONJSA-N 2 1 240.351 -0.898 20 0 BBADMP C[NH2+]CCC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394381980 487669643 /nfs/dbraw/zinc/66/96/43/487669643.db2.gz OLLHUJFIUPLHRE-NSHDSACASA-N 2 1 240.351 -0.898 20 0 BBADMP C[C@H](C[NH3+])C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394382171 487669293 /nfs/dbraw/zinc/66/92/93/487669293.db2.gz PUYRXSDOFABUMD-GHMZBOCLSA-N 2 1 240.351 -0.913 20 0 BBADMP C[C@H](C[NH3+])C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394382172 487669392 /nfs/dbraw/zinc/66/93/92/487669392.db2.gz PUYRXSDOFABUMD-MNOVXSKESA-N 2 1 240.351 -0.913 20 0 BBADMP C[C@@H](C[NH3+])C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394382175 487669750 /nfs/dbraw/zinc/66/97/50/487669750.db2.gz PUYRXSDOFABUMD-QWRGUYRKSA-N 2 1 240.351 -0.913 20 0 BBADMP C[C@@H](C[NH3+])C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394382176 487669311 /nfs/dbraw/zinc/66/93/11/487669311.db2.gz PUYRXSDOFABUMD-WDEREUQCSA-N 2 1 240.351 -0.913 20 0 BBADMP CC[NH2+]CC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394382753 711189742 /nfs/dbraw/zinc/18/97/42/711189742.db2.gz SYVRNHSDLSFDJJ-LLVKDONJSA-N 2 1 240.351 -0.898 20 0 BBADMP CC[NH2+]CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394382754 711190406 /nfs/dbraw/zinc/19/04/06/711190406.db2.gz SYVRNHSDLSFDJJ-NSHDSACASA-N 2 1 240.351 -0.898 20 0 BBADMP CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394382784 487669431 /nfs/dbraw/zinc/66/94/31/487669431.db2.gz UKZWYJIIAQRANW-GHMZBOCLSA-N 2 1 240.351 -0.770 20 0 BBADMP CC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394382785 487669270 /nfs/dbraw/zinc/66/92/70/487669270.db2.gz UKZWYJIIAQRANW-MNOVXSKESA-N 2 1 240.351 -0.770 20 0 BBADMP CC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394382786 487669258 /nfs/dbraw/zinc/66/92/58/487669258.db2.gz UKZWYJIIAQRANW-QWRGUYRKSA-N 2 1 240.351 -0.770 20 0 BBADMP CC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394382787 487670402 /nfs/dbraw/zinc/67/04/02/487670402.db2.gz UKZWYJIIAQRANW-WDEREUQCSA-N 2 1 240.351 -0.770 20 0 BBADMP C[NH+](C[C@@H](O)CO)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394415193 710881211 /nfs/dbraw/zinc/88/12/11/710881211.db2.gz JEMBZOAGJHHJJV-AYLPWXGPSA-N 2 1 228.336 -0.103 20 0 BBADMP C[NH+](C[C@@H](O)CO)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394415193 710881207 /nfs/dbraw/zinc/88/12/07/710881207.db2.gz JEMBZOAGJHHJJV-AYLPWXGPSA-N 2 1 228.336 -0.103 20 0 BBADMP C[N@@H+](C[C@@H](O)CO)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394415193 710881203 /nfs/dbraw/zinc/88/12/03/710881203.db2.gz JEMBZOAGJHHJJV-AYLPWXGPSA-N 2 1 228.336 -0.103 20 0 BBADMP C[N@H+](C[C@@H](O)CO)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394415193 710881197 /nfs/dbraw/zinc/88/11/97/710881197.db2.gz JEMBZOAGJHHJJV-AYLPWXGPSA-N 2 1 228.336 -0.103 20 0 BBADMP C[NH+](C[C@H](O)CO)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394415202 710881252 /nfs/dbraw/zinc/88/12/52/710881252.db2.gz JEMBZOAGJHHJJV-MBYGNEARSA-N 2 1 228.336 -0.103 20 0 BBADMP C[NH+](C[C@H](O)CO)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394415202 710881246 /nfs/dbraw/zinc/88/12/46/710881246.db2.gz JEMBZOAGJHHJJV-MBYGNEARSA-N 2 1 228.336 -0.103 20 0 BBADMP C[N@@H+](C[C@H](O)CO)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394415202 710881242 /nfs/dbraw/zinc/88/12/42/710881242.db2.gz JEMBZOAGJHHJJV-MBYGNEARSA-N 2 1 228.336 -0.103 20 0 BBADMP C[N@H+](C[C@H](O)CO)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394415202 710881237 /nfs/dbraw/zinc/88/12/37/710881237.db2.gz JEMBZOAGJHHJJV-MBYGNEARSA-N 2 1 228.336 -0.103 20 0 BBADMP COC[C@](C)(O)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000394541705 711193727 /nfs/dbraw/zinc/19/37/27/711193727.db2.gz BDDIMLOHINXDFX-DVWMECQTSA-N 2 1 240.347 -0.030 20 0 BBADMP COC[C@](C)(O)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000394541707 711689094 /nfs/dbraw/zinc/68/90/94/711689094.db2.gz BDDIMLOHINXDFX-LVTVNPDKSA-N 2 1 240.347 -0.030 20 0 BBADMP COC[C@](C)(O)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000394541709 711194190 /nfs/dbraw/zinc/19/41/90/711194190.db2.gz BDDIMLOHINXDFX-MJYBNVITSA-N 2 1 240.347 -0.030 20 0 BBADMP Cc1cc(NC[C@H]2C[NH2+]CCN2C)nc(C)[nH+]1 ZINC000394737562 411319456 /nfs/dbraw/zinc/31/94/56/411319456.db2.gz KKXZAAPSZGMNHE-LLVKDONJSA-N 2 1 235.335 -0.169 20 0 BBADMP Cc1cc(NC[C@@H]2C[NH2+]CCN2C)nc(C)[nH+]1 ZINC000394737568 410819688 /nfs/dbraw/zinc/81/96/88/410819688.db2.gz KKXZAAPSZGMNHE-NSHDSACASA-N 2 1 235.335 -0.169 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000394818579 386477117 /nfs/dbraw/zinc/47/71/17/386477117.db2.gz BLLDTPIZWMCMDS-JTQLQIEISA-N 2 1 243.351 -0.179 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000394818582 386477802 /nfs/dbraw/zinc/47/78/02/386477802.db2.gz BLLDTPIZWMCMDS-SNVBAGLBSA-N 2 1 243.351 -0.179 20 0 BBADMP CO[C@@H]1C[N@@H+](CCn2cc[nH+]c2C)C[C@H]1O ZINC000395293066 487850315 /nfs/dbraw/zinc/85/03/15/487850315.db2.gz GGYABTGUDPOJRG-GHMZBOCLSA-N 2 1 225.292 -0.117 20 0 BBADMP CO[C@@H]1C[N@H+](CCn2cc[nH+]c2C)C[C@H]1O ZINC000395293066 487850311 /nfs/dbraw/zinc/85/03/11/487850311.db2.gz GGYABTGUDPOJRG-GHMZBOCLSA-N 2 1 225.292 -0.117 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CN(C)C1CC([NH3+])C1 ZINC000395329007 711209057 /nfs/dbraw/zinc/20/90/57/711209057.db2.gz FAACHPYJAMNZSA-HTAVTVPLSA-N 2 1 245.367 -0.653 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN(C)C1CC([NH3+])C1 ZINC000395329008 711208384 /nfs/dbraw/zinc/20/83/84/711208384.db2.gz FAACHPYJAMNZSA-MCIGGMRASA-N 2 1 245.367 -0.653 20 0 BBADMP O=C1NCC[C@H]1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000395844155 487877336 /nfs/dbraw/zinc/87/73/36/487877336.db2.gz JKEYJSXWTPIGKW-GARJFASQSA-N 2 1 223.320 -0.336 20 0 BBADMP O=C1NCC[C@@H]1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000395844157 487877367 /nfs/dbraw/zinc/87/73/67/487877367.db2.gz JKEYJSXWTPIGKW-MXWKQRLJSA-N 2 1 223.320 -0.336 20 0 BBADMP COC[C@H](O)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396571401 711354915 /nfs/dbraw/zinc/35/49/15/711354915.db2.gz LHODRTUDSRXSHF-AEJSXWLSSA-N 2 1 202.298 -0.276 20 0 BBADMP COC[C@H](O)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396571403 711355595 /nfs/dbraw/zinc/35/55/95/711355595.db2.gz LHODRTUDSRXSHF-BBBLOLIVSA-N 2 1 202.298 -0.276 20 0 BBADMP COC[C@H](O)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396571406 711355943 /nfs/dbraw/zinc/35/59/43/711355943.db2.gz LHODRTUDSRXSHF-IVZWLZJFSA-N 2 1 202.298 -0.276 20 0 BBADMP COC[C@H](O)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396571409 711354979 /nfs/dbraw/zinc/35/49/79/711354979.db2.gz LHODRTUDSRXSHF-OPRDCNLKSA-N 2 1 202.298 -0.276 20 0 BBADMP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1C[N@@H+](C)CCN1C ZINC000396592987 711359337 /nfs/dbraw/zinc/35/93/37/711359337.db2.gz KKCNBKQBWFCQCZ-AVGNSLFASA-N 2 1 240.395 -0.038 20 0 BBADMP C[C@@H]1[NH2+]CCC[C@H]1NC[C@H]1C[N@@H+](C)CCN1C ZINC000396592988 711359124 /nfs/dbraw/zinc/35/91/24/711359124.db2.gz KKCNBKQBWFCQCZ-RWMBFGLXSA-N 2 1 240.395 -0.038 20 0 BBADMP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1C[N@@H+](C)CCN1C ZINC000396592989 711359838 /nfs/dbraw/zinc/35/98/38/711359838.db2.gz KKCNBKQBWFCQCZ-XQQFMLRXSA-N 2 1 240.395 -0.038 20 0 BBADMP C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]1C[N@@H+](C)CCN1C ZINC000396592990 711358632 /nfs/dbraw/zinc/35/86/32/711358632.db2.gz KKCNBKQBWFCQCZ-YNEHKIRRSA-N 2 1 240.395 -0.038 20 0 BBADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@]1(O)CCOC1 ZINC000396719285 711367385 /nfs/dbraw/zinc/36/73/85/711367385.db2.gz VISXOCQZHFKYTI-AXFHLTTASA-N 2 1 214.309 -0.132 20 0 BBADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@]1(O)CCOC1 ZINC000396719289 711367189 /nfs/dbraw/zinc/36/71/89/711367189.db2.gz VISXOCQZHFKYTI-DCAQKATOSA-N 2 1 214.309 -0.132 20 0 BBADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@]1(O)CCOC1 ZINC000396719294 711366158 /nfs/dbraw/zinc/36/61/58/711366158.db2.gz VISXOCQZHFKYTI-GARJFASQSA-N 2 1 214.309 -0.132 20 0 BBADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@]1(O)CCOC1 ZINC000396719299 711366620 /nfs/dbraw/zinc/36/66/20/711366620.db2.gz VISXOCQZHFKYTI-HBNTYKKESA-N 2 1 214.309 -0.132 20 0 BBADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCNS(C)(=O)=O ZINC000396732648 711368188 /nfs/dbraw/zinc/36/81/88/711368188.db2.gz YEWXZWSOBBACOP-NXEZZACHSA-N 2 1 249.380 -0.344 20 0 BBADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCNS(C)(=O)=O ZINC000396732650 711368728 /nfs/dbraw/zinc/36/87/28/711368728.db2.gz YEWXZWSOBBACOP-UWVGGRQHSA-N 2 1 249.380 -0.344 20 0 BBADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCNS(C)(=O)=O ZINC000396732651 711369025 /nfs/dbraw/zinc/36/90/25/711369025.db2.gz YEWXZWSOBBACOP-VHSXEESVSA-N 2 1 249.380 -0.344 20 0 BBADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCNS(C)(=O)=O ZINC000396732653 711369398 /nfs/dbraw/zinc/36/93/98/711369398.db2.gz YEWXZWSOBBACOP-ZJUUUORDSA-N 2 1 249.380 -0.344 20 0 BBADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NC(N)=O)C[C@@H]1C[NH3+] ZINC000397284131 323162780 /nfs/dbraw/zinc/16/27/80/323162780.db2.gz SZDVOAUQCQWHDA-HLTSFMKQSA-N 2 1 242.323 -0.514 20 0 BBADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NC(N)=O)C[C@@H]1C[NH3+] ZINC000397284131 323162779 /nfs/dbraw/zinc/16/27/79/323162779.db2.gz SZDVOAUQCQWHDA-HLTSFMKQSA-N 2 1 242.323 -0.514 20 0 BBADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NC(N)=O)C[C@H]1C[NH3+] ZINC000397284134 323162771 /nfs/dbraw/zinc/16/27/71/323162771.db2.gz SZDVOAUQCQWHDA-HRDYMLBCSA-N 2 1 242.323 -0.514 20 0 BBADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NC(N)=O)C[C@H]1C[NH3+] ZINC000397284134 323162770 /nfs/dbraw/zinc/16/27/70/323162770.db2.gz SZDVOAUQCQWHDA-HRDYMLBCSA-N 2 1 242.323 -0.514 20 0 BBADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NC(N)=O)C[C@H]1C[NH3+] ZINC000397284137 323162768 /nfs/dbraw/zinc/16/27/68/323162768.db2.gz SZDVOAUQCQWHDA-IWSPIJDZSA-N 2 1 242.323 -0.514 20 0 BBADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NC(N)=O)C[C@H]1C[NH3+] ZINC000397284137 323162767 /nfs/dbraw/zinc/16/27/67/323162767.db2.gz SZDVOAUQCQWHDA-IWSPIJDZSA-N 2 1 242.323 -0.514 20 0 BBADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NC(N)=O)C[C@@H]1C[NH3+] ZINC000397284139 323162700 /nfs/dbraw/zinc/16/27/00/323162700.db2.gz SZDVOAUQCQWHDA-VGMNWLOBSA-N 2 1 242.323 -0.514 20 0 BBADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NC(N)=O)C[C@@H]1C[NH3+] ZINC000397284139 323162699 /nfs/dbraw/zinc/16/26/99/323162699.db2.gz SZDVOAUQCQWHDA-VGMNWLOBSA-N 2 1 242.323 -0.514 20 0 BBADMP [NH3+]C1(CC(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000398059283 488201434 /nfs/dbraw/zinc/20/14/34/488201434.db2.gz BKNHTLHVMDEWIY-UHFFFAOYSA-N 2 1 227.308 -0.996 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)CC1([NH3+])CC1 ZINC000398103042 487604446 /nfs/dbraw/zinc/60/44/46/487604446.db2.gz UOJQCHREJDILKE-UHFFFAOYSA-N 2 1 229.324 -0.438 20 0 BBADMP [NH3+]C1(CC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000398103446 488210304 /nfs/dbraw/zinc/21/03/04/488210304.db2.gz YMAFPTDXPQQMBA-UHFFFAOYSA-N 2 1 241.335 -0.294 20 0 BBADMP C[N@H+]1CC[C@H](CNC(=O)CC2([NH3+])CC2)C1 ZINC000398186161 488214271 /nfs/dbraw/zinc/21/42/71/488214271.db2.gz ZBTLNBQJACFTQZ-SECBINFHSA-N 2 1 211.309 -0.064 20 0 BBADMP C[N@H+]1CC[C@@H](CNC(=O)CC2([NH3+])CC2)C1 ZINC000398186164 488213959 /nfs/dbraw/zinc/21/39/59/488213959.db2.gz ZBTLNBQJACFTQZ-VIFPVBQESA-N 2 1 211.309 -0.064 20 0 BBADMP CNC(=O)CCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000398342243 357884480 /nfs/dbraw/zinc/88/44/80/357884480.db2.gz NNHCQRGEEUVJTE-LLVKDONJSA-N 2 1 243.351 -0.443 20 0 BBADMP CNC(=O)CCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000398342243 357884475 /nfs/dbraw/zinc/88/44/75/357884475.db2.gz NNHCQRGEEUVJTE-LLVKDONJSA-N 2 1 243.351 -0.443 20 0 BBADMP CNC(=O)CCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000398342244 357884539 /nfs/dbraw/zinc/88/45/39/357884539.db2.gz NNHCQRGEEUVJTE-NSHDSACASA-N 2 1 243.351 -0.443 20 0 BBADMP CNC(=O)CCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000398342244 357884534 /nfs/dbraw/zinc/88/45/34/357884534.db2.gz NNHCQRGEEUVJTE-NSHDSACASA-N 2 1 243.351 -0.443 20 0 BBADMP C[N@H+]1CCC[C@@H](NC(=O)C2(C)C[NH2+]C2)C1 ZINC000399145527 411019310 /nfs/dbraw/zinc/01/93/10/411019310.db2.gz DJAQEGNPTSCPNA-SECBINFHSA-N 2 1 211.309 -0.194 20 0 BBADMP C[N@H+]1CCC[C@H](NC(=O)C2(C)C[NH2+]C2)C1 ZINC000399145529 411018559 /nfs/dbraw/zinc/01/85/59/411018559.db2.gz DJAQEGNPTSCPNA-VIFPVBQESA-N 2 1 211.309 -0.194 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000399160698 398303805 /nfs/dbraw/zinc/30/38/05/398303805.db2.gz FCIDPHATIHABMG-LLVKDONJSA-N 2 1 243.351 -0.192 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399160703 398304025 /nfs/dbraw/zinc/30/40/25/398304025.db2.gz FCIDPHATIHABMG-NSHDSACASA-N 2 1 243.351 -0.192 20 0 BBADMP C[N@@H+](CCNC(=O)C1(C)C[NH2+]C1)C1CC1 ZINC000399192558 386449008 /nfs/dbraw/zinc/44/90/08/386449008.db2.gz ZERBECXOAOPMEQ-UHFFFAOYSA-N 2 1 211.309 -0.194 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)C1(C)C[NH2+]C1 ZINC000399214486 386458815 /nfs/dbraw/zinc/45/88/15/386458815.db2.gz SQBCCTMNPKJETP-UHFFFAOYSA-N 2 1 229.324 -0.710 20 0 BBADMP C[C@@H]1COCC[N@@H+](CCOCC[NH3+])C1 ZINC000399273762 711781981 /nfs/dbraw/zinc/78/19/81/711781981.db2.gz RDLVLLUFWKMLDD-JTQLQIEISA-N 2 1 202.298 -0.070 20 0 BBADMP C[C@H]1COCC[N@@H+](CCOCC[NH3+])C1 ZINC000399273764 711425953 /nfs/dbraw/zinc/42/59/53/711425953.db2.gz RDLVLLUFWKMLDD-SNVBAGLBSA-N 2 1 202.298 -0.070 20 0 BBADMP C[C@H]1COCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000399310131 711426771 /nfs/dbraw/zinc/42/67/71/711426771.db2.gz LTOWKWBUIVMDFS-GFCCVEGCSA-N 2 1 227.352 -0.140 20 0 BBADMP C[C@@H]1COCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000399310135 711427193 /nfs/dbraw/zinc/42/71/93/711427193.db2.gz LTOWKWBUIVMDFS-LBPRGKRZSA-N 2 1 227.352 -0.140 20 0 BBADMP CC1(C(=O)NCC[N@@H+]2CC=CCC2)C[NH2+]C1 ZINC000399320841 357903138 /nfs/dbraw/zinc/90/31/38/357903138.db2.gz IJWFFPMZVFXHKQ-UHFFFAOYSA-N 2 1 223.320 -0.026 20 0 BBADMP Cc1[nH+]ccn1CCNC(=O)C1(C)C[NH2+]C1 ZINC000399408372 357906390 /nfs/dbraw/zinc/90/63/90/357906390.db2.gz JHQPAQRAGYVDAK-UHFFFAOYSA-N 2 1 222.292 -0.083 20 0 BBADMP CC1(C(=O)NCCC[NH+]2CCOCC2)C[NH2+]C1 ZINC000399487987 356664585 /nfs/dbraw/zinc/66/45/85/356664585.db2.gz SDUDBIRPERCVNG-UHFFFAOYSA-N 2 1 241.335 -0.566 20 0 BBADMP CC1(C(=O)NCC[NH+]2CCSCC2)C[NH2+]C1 ZINC000399501330 323395386 /nfs/dbraw/zinc/39/53/86/323395386.db2.gz WOSBSRSOVVUOLP-UHFFFAOYSA-N 2 1 243.376 -0.239 20 0 BBADMP Cc1[nH+]ccn1CC[N@H+]1CCOC[C@H](O)C1 ZINC000399886988 487496308 /nfs/dbraw/zinc/49/63/08/487496308.db2.gz VXTREMLCFYLIMT-LLVKDONJSA-N 2 1 225.292 -0.115 20 0 BBADMP Cc1[nH+]ccn1CC[N@@H+]1CCOC[C@H](O)C1 ZINC000399886988 487496304 /nfs/dbraw/zinc/49/63/04/487496304.db2.gz VXTREMLCFYLIMT-LLVKDONJSA-N 2 1 225.292 -0.115 20 0 BBADMP Cc1[nH+]ccn1CC[N@H+]1CCOC[C@@H](O)C1 ZINC000399887077 487496490 /nfs/dbraw/zinc/49/64/90/487496490.db2.gz VXTREMLCFYLIMT-NSHDSACASA-N 2 1 225.292 -0.115 20 0 BBADMP Cc1[nH+]ccn1CC[N@@H+]1CCOC[C@@H](O)C1 ZINC000399887077 487496484 /nfs/dbraw/zinc/49/64/84/487496484.db2.gz VXTREMLCFYLIMT-NSHDSACASA-N 2 1 225.292 -0.115 20 0 BBADMP CC(C)([NH3+])C[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400299834 369346989 /nfs/dbraw/zinc/34/69/89/369346989.db2.gz RFJCBWSPVQYNRR-MRVPVSSYSA-N 2 1 235.353 -0.653 20 0 BBADMP CC(C)([NH3+])C[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000400299836 369346945 /nfs/dbraw/zinc/34/69/45/369346945.db2.gz RFJCBWSPVQYNRR-QMMMGPOBSA-N 2 1 235.353 -0.653 20 0 BBADMP C[C@H]([NH2+]C[C@@H]1CCC(=O)N1)[C@@H]1CCC[NH2+]1 ZINC000400501631 487981798 /nfs/dbraw/zinc/98/17/98/487981798.db2.gz GCPLFRKMOAKSGC-GUBZILKMSA-N 2 1 211.309 -0.005 20 0 BBADMP C[C@H]([NH2+]C[C@@H]1CCC(=O)N1)[C@H]1CCC[NH2+]1 ZINC000400501639 487981738 /nfs/dbraw/zinc/98/17/38/487981738.db2.gz GCPLFRKMOAKSGC-LPEHRKFASA-N 2 1 211.309 -0.005 20 0 BBADMP Cn1nnc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000401154725 411168364 /nfs/dbraw/zinc/16/83/64/411168364.db2.gz QPZLGKZRVFIJQZ-IVZWLZJFSA-N 2 1 236.323 -0.312 20 0 BBADMP Cn1nnc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000401154728 411178735 /nfs/dbraw/zinc/17/87/35/411178735.db2.gz QPZLGKZRVFIJQZ-KXUCPTDWSA-N 2 1 236.323 -0.312 20 0 BBADMP Cn1nnc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000401154731 411177735 /nfs/dbraw/zinc/17/77/35/411177735.db2.gz QPZLGKZRVFIJQZ-LPEHRKFASA-N 2 1 236.323 -0.312 20 0 BBADMP Cn1nnc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000401154733 411178627 /nfs/dbraw/zinc/17/86/27/411178627.db2.gz QPZLGKZRVFIJQZ-OPRDCNLKSA-N 2 1 236.323 -0.312 20 0 BBADMP Cn1cncc1C[N@@H+](C)CCOCC[NH3+] ZINC000401801700 384035164 /nfs/dbraw/zinc/03/51/64/384035164.db2.gz UUIBIULVGBVNRW-UHFFFAOYSA-N 2 1 212.297 -0.173 20 0 BBADMP Cn1cncc1C[N@H+](C)CCOCC[NH3+] ZINC000401801700 384035156 /nfs/dbraw/zinc/03/51/56/384035156.db2.gz UUIBIULVGBVNRW-UHFFFAOYSA-N 2 1 212.297 -0.173 20 0 BBADMP C[N@@H+](CCOCC[NH3+])CCc1cnccn1 ZINC000402596520 411270781 /nfs/dbraw/zinc/27/07/81/411270781.db2.gz ORVGESFNKXUCCC-UHFFFAOYSA-N 2 1 224.308 -0.074 20 0 BBADMP C[N@H+](CCc1cnccn1)CCN1CC[NH2+]CC1 ZINC000402897635 324187281 /nfs/dbraw/zinc/18/72/81/324187281.db2.gz FSQXVGIEOWQYEQ-UHFFFAOYSA-N 2 1 249.362 -0.144 20 0 BBADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000403016767 411325580 /nfs/dbraw/zinc/32/55/80/411325580.db2.gz VVMXRKAXMFTGBI-QXEWZRGKSA-N 2 1 211.309 -0.079 20 0 BBADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000403016767 411325578 /nfs/dbraw/zinc/32/55/78/411325578.db2.gz VVMXRKAXMFTGBI-QXEWZRGKSA-N 2 1 211.309 -0.079 20 0 BBADMP C[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)[C@H]1CC[NH3+] ZINC000404403199 359702812 /nfs/dbraw/zinc/70/28/12/359702812.db2.gz SKBNPSUOGIVAPA-BDAKNGLRSA-N 2 1 242.323 -0.369 20 0 BBADMP C[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)[C@H]1CC[NH3+] ZINC000404403199 359702810 /nfs/dbraw/zinc/70/28/10/359702810.db2.gz SKBNPSUOGIVAPA-BDAKNGLRSA-N 2 1 242.323 -0.369 20 0 BBADMP C[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)[C@@H]1CC[NH3+] ZINC000404403203 359703306 /nfs/dbraw/zinc/70/33/06/359703306.db2.gz SKBNPSUOGIVAPA-DTWKUNHWSA-N 2 1 242.323 -0.369 20 0 BBADMP C[C@H]1CCC[N@H+](CC(=O)NC(N)=O)[C@@H]1CC[NH3+] ZINC000404403203 359703299 /nfs/dbraw/zinc/70/32/99/359703299.db2.gz SKBNPSUOGIVAPA-DTWKUNHWSA-N 2 1 242.323 -0.369 20 0 BBADMP C[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)[C@H]1CC[NH3+] ZINC000404403207 359702764 /nfs/dbraw/zinc/70/27/64/359702764.db2.gz SKBNPSUOGIVAPA-IUCAKERBSA-N 2 1 242.323 -0.369 20 0 BBADMP C[C@H]1CCC[N@H+](CC(=O)NC(N)=O)[C@H]1CC[NH3+] ZINC000404403207 359702762 /nfs/dbraw/zinc/70/27/62/359702762.db2.gz SKBNPSUOGIVAPA-IUCAKERBSA-N 2 1 242.323 -0.369 20 0 BBADMP C[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)[C@@H]1CC[NH3+] ZINC000404403210 359703233 /nfs/dbraw/zinc/70/32/33/359703233.db2.gz SKBNPSUOGIVAPA-RKDXNWHRSA-N 2 1 242.323 -0.369 20 0 BBADMP C[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)[C@@H]1CC[NH3+] ZINC000404403210 359703230 /nfs/dbraw/zinc/70/32/30/359703230.db2.gz SKBNPSUOGIVAPA-RKDXNWHRSA-N 2 1 242.323 -0.369 20 0 BBADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000404762820 385053979 /nfs/dbraw/zinc/05/39/79/385053979.db2.gz DINGWOHIKXLODP-NXEZZACHSA-N 2 1 241.335 -0.439 20 0 BBADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000404762821 385056956 /nfs/dbraw/zinc/05/69/56/385056956.db2.gz DINGWOHIKXLODP-UWVGGRQHSA-N 2 1 241.335 -0.439 20 0 BBADMP CC1(C)[C@H]([NH2+]CC(=O)N2CCOCC2)C[C@@H]1[NH3+] ZINC000404762822 385054774 /nfs/dbraw/zinc/05/47/74/385054774.db2.gz DINGWOHIKXLODP-VHSXEESVSA-N 2 1 241.335 -0.439 20 0 BBADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000404762824 385055033 /nfs/dbraw/zinc/05/50/33/385055033.db2.gz DINGWOHIKXLODP-ZJUUUORDSA-N 2 1 241.335 -0.439 20 0 BBADMP CN1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C2(C)C)C1=O ZINC000404846736 385100152 /nfs/dbraw/zinc/10/01/52/385100152.db2.gz PCJNKGLJBBLXME-CIUDSAMLSA-N 2 1 211.309 -0.068 20 0 BBADMP CN1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)C1=O ZINC000404846738 385099044 /nfs/dbraw/zinc/09/90/44/385099044.db2.gz PCJNKGLJBBLXME-DJLDLDEBSA-N 2 1 211.309 -0.068 20 0 BBADMP CN1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)C1=O ZINC000404846741 385099095 /nfs/dbraw/zinc/09/90/95/385099095.db2.gz PCJNKGLJBBLXME-XHNCKOQMSA-N 2 1 211.309 -0.068 20 0 BBADMP CN1CC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)C1=O ZINC000404846742 385099809 /nfs/dbraw/zinc/09/98/09/385099809.db2.gz PCJNKGLJBBLXME-YIZRAAEISA-N 2 1 211.309 -0.068 20 0 BBADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NC1CC1 ZINC000404872461 385121644 /nfs/dbraw/zinc/12/16/44/385121644.db2.gz VCSUYIXVNREQNV-BDAKNGLRSA-N 2 1 211.309 -0.020 20 0 BBADMP CC1(C)[C@H]([NH2+]CC(=O)NC2CC2)C[C@@H]1[NH3+] ZINC000404872462 385120643 /nfs/dbraw/zinc/12/06/43/385120643.db2.gz VCSUYIXVNREQNV-DTWKUNHWSA-N 2 1 211.309 -0.020 20 0 BBADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NC1CC1 ZINC000404872463 385120271 /nfs/dbraw/zinc/12/02/71/385120271.db2.gz VCSUYIXVNREQNV-IUCAKERBSA-N 2 1 211.309 -0.020 20 0 BBADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC000404872466 388438778 /nfs/dbraw/zinc/43/87/78/388438778.db2.gz VCSUYIXVNREQNV-RKDXNWHRSA-N 2 1 211.309 -0.020 20 0 BBADMP O[C@@H]1C[C@H]2CN(C[C@@H]3CCC[NH2+]C3)CC[N@H+]2C1 ZINC000405278564 487479773 /nfs/dbraw/zinc/47/97/73/487479773.db2.gz UAEZXESPXRCYHO-FRRDWIJNSA-N 2 1 239.363 -0.263 20 0 BBADMP O[C@@H]1C[C@H]2CN(C[C@H]3CCC[NH2+]C3)CC[N@H+]2C1 ZINC000405278566 487479756 /nfs/dbraw/zinc/47/97/56/487479756.db2.gz UAEZXESPXRCYHO-RWMBFGLXSA-N 2 1 239.363 -0.263 20 0 BBADMP O[C@@H]1C[C@H]2CN(CC3CC[NH2+]CC3)CC[N@H+]2C1 ZINC000405278634 487480067 /nfs/dbraw/zinc/48/00/67/487480067.db2.gz UDSJLBIGQUKBKQ-QWHCGFSZSA-N 2 1 239.363 -0.263 20 0 BBADMP O[C@@H]1C[C@H]2CN(CC3CC[NH2+]CC3)CC[N@@H+]2C1 ZINC000405278634 487480061 /nfs/dbraw/zinc/48/00/61/487480061.db2.gz UDSJLBIGQUKBKQ-QWHCGFSZSA-N 2 1 239.363 -0.263 20 0 BBADMP O[C@@H]1C[C@H]2C[N@@H+](CC3CC[NH2+]CC3)CCN2C1 ZINC000405278634 487480055 /nfs/dbraw/zinc/48/00/55/487480055.db2.gz UDSJLBIGQUKBKQ-QWHCGFSZSA-N 2 1 239.363 -0.263 20 0 BBADMP C[NH2+]CCCN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405320384 487480999 /nfs/dbraw/zinc/48/09/99/487480999.db2.gz UKFYIAWZJGWQHM-WDEREUQCSA-N 2 1 213.325 -0.653 20 0 BBADMP C[NH+]1CCC[C@@H]1CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405321147 411425158 /nfs/dbraw/zinc/42/51/58/411425158.db2.gz RMDMOSGWPDXQRS-FRRDWIJNSA-N 2 1 239.363 -0.169 20 0 BBADMP C[NH+]1CCC[C@@H]1CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405321147 411425156 /nfs/dbraw/zinc/42/51/56/411425156.db2.gz RMDMOSGWPDXQRS-FRRDWIJNSA-N 2 1 239.363 -0.169 20 0 BBADMP C[N@H+]1CCC[C@@H]1CN1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000405321147 411425153 /nfs/dbraw/zinc/42/51/53/411425153.db2.gz RMDMOSGWPDXQRS-FRRDWIJNSA-N 2 1 239.363 -0.169 20 0 BBADMP CCO[C@@H]1C[N@@H+](CCOCCOC)C[C@H]1C[NH3+] ZINC000405482528 411432071 /nfs/dbraw/zinc/43/20/71/411432071.db2.gz XNHDLHFHCDUNDA-VXGBXAGGSA-N 2 1 246.351 -0.055 20 0 BBADMP CCO[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1C[NH3+] ZINC000405493448 411432413 /nfs/dbraw/zinc/43/24/13/411432413.db2.gz AHWKFTAUKXOVKK-GMTAPVOTSA-N 2 1 241.335 -0.487 20 0 BBADMP CCO[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1C[NH3+] ZINC000405493448 411432411 /nfs/dbraw/zinc/43/24/11/411432411.db2.gz AHWKFTAUKXOVKK-GMTAPVOTSA-N 2 1 241.335 -0.487 20 0 BBADMP CCO[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1C[NH3+] ZINC000405493450 411432144 /nfs/dbraw/zinc/43/21/44/411432144.db2.gz AHWKFTAUKXOVKK-OUAUKWLOSA-N 2 1 241.335 -0.487 20 0 BBADMP CCO[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1C[NH3+] ZINC000405493450 411432141 /nfs/dbraw/zinc/43/21/41/411432141.db2.gz AHWKFTAUKXOVKK-OUAUKWLOSA-N 2 1 241.335 -0.487 20 0 BBADMP CN(C)S(=O)(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000405493509 384388266 /nfs/dbraw/zinc/38/82/66/384388266.db2.gz PNUZHUBGIGLNOH-BDAKNGLRSA-N 2 1 249.380 -0.407 20 0 BBADMP CN(C)S(=O)(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000405493510 384388805 /nfs/dbraw/zinc/38/88/05/384388805.db2.gz PNUZHUBGIGLNOH-DTWKUNHWSA-N 2 1 249.380 -0.407 20 0 BBADMP CN(C)S(=O)(=O)CC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000405493511 384388842 /nfs/dbraw/zinc/38/88/42/384388842.db2.gz PNUZHUBGIGLNOH-IUCAKERBSA-N 2 1 249.380 -0.407 20 0 BBADMP CN(C)S(=O)(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000405493512 384388487 /nfs/dbraw/zinc/38/84/87/384388487.db2.gz PNUZHUBGIGLNOH-RKDXNWHRSA-N 2 1 249.380 -0.407 20 0 BBADMP CCO[C@@H]1C[N@@H+](CCC(=O)N(C)C)C[C@H]1C[NH3+] ZINC000405523251 411433265 /nfs/dbraw/zinc/43/32/65/411433265.db2.gz JUYLTPSNDPCATR-GHMZBOCLSA-N 2 1 243.351 -0.240 20 0 BBADMP CCO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1C[NH3+] ZINC000405523344 411433108 /nfs/dbraw/zinc/43/31/08/411433108.db2.gz JZSUEAPZNJCLEY-GHMZBOCLSA-N 2 1 239.323 -0.426 20 0 BBADMP CCO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1C[NH3+] ZINC000405523344 411433107 /nfs/dbraw/zinc/43/31/07/411433107.db2.gz JZSUEAPZNJCLEY-GHMZBOCLSA-N 2 1 239.323 -0.426 20 0 BBADMP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1C[NH3+] ZINC000405541353 411434378 /nfs/dbraw/zinc/43/43/78/411434378.db2.gz SDZYSEXUDQWBIT-GMTAPVOTSA-N 2 1 243.351 -0.241 20 0 BBADMP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1C[NH3+] ZINC000405541353 411434375 /nfs/dbraw/zinc/43/43/75/411434375.db2.gz SDZYSEXUDQWBIT-GMTAPVOTSA-N 2 1 243.351 -0.241 20 0 BBADMP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1C[NH3+] ZINC000405541354 411434394 /nfs/dbraw/zinc/43/43/94/411434394.db2.gz SDZYSEXUDQWBIT-HBNTYKKESA-N 2 1 243.351 -0.241 20 0 BBADMP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1C[NH3+] ZINC000405541354 411434392 /nfs/dbraw/zinc/43/43/92/411434392.db2.gz SDZYSEXUDQWBIT-HBNTYKKESA-N 2 1 243.351 -0.241 20 0 BBADMP CCO[C@@H]1C[N@@H+](CCOC)C[C@H]1C[NH3+] ZINC000405581249 491095844 /nfs/dbraw/zinc/09/58/44/491095844.db2.gz KGHFWPIHKPMRHS-NXEZZACHSA-N 2 1 202.298 -0.072 20 0 BBADMP CCO[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@H]1C[NH3+] ZINC000405845611 411443864 /nfs/dbraw/zinc/44/38/64/411443864.db2.gz HJJBOXNLOFRYHW-KXUCPTDWSA-N 2 1 229.324 -0.454 20 0 BBADMP CCO[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]1C[NH3+] ZINC000405845611 411443863 /nfs/dbraw/zinc/44/38/63/411443863.db2.gz HJJBOXNLOFRYHW-KXUCPTDWSA-N 2 1 229.324 -0.454 20 0 BBADMP CCO[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@H]1C[NH3+] ZINC000405845615 411443714 /nfs/dbraw/zinc/44/37/14/411443714.db2.gz HJJBOXNLOFRYHW-OPRDCNLKSA-N 2 1 229.324 -0.454 20 0 BBADMP CCO[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)C[C@H]1C[NH3+] ZINC000405845615 411443710 /nfs/dbraw/zinc/44/37/10/411443710.db2.gz HJJBOXNLOFRYHW-OPRDCNLKSA-N 2 1 229.324 -0.454 20 0 BBADMP OCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000408099389 385422749 /nfs/dbraw/zinc/42/27/49/385422749.db2.gz LBWMRXPNWZGNPZ-UHFFFAOYSA-N 2 1 244.335 -0.862 20 0 BBADMP CN(Cc1ncc[nH]1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000408272090 345005042 /nfs/dbraw/zinc/00/50/42/345005042.db2.gz XBRPZOSQQZXMIF-SECBINFHSA-N 2 1 238.291 -0.301 20 0 BBADMP CN(Cc1ncc[nH]1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000408272090 345005041 /nfs/dbraw/zinc/00/50/41/345005041.db2.gz XBRPZOSQQZXMIF-SECBINFHSA-N 2 1 238.291 -0.301 20 0 BBADMP CN(Cc1ncc[nH]1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000408272091 345005072 /nfs/dbraw/zinc/00/50/72/345005072.db2.gz XBRPZOSQQZXMIF-VIFPVBQESA-N 2 1 238.291 -0.301 20 0 BBADMP CN(Cc1ncc[nH]1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000408272091 345005071 /nfs/dbraw/zinc/00/50/71/345005071.db2.gz XBRPZOSQQZXMIF-VIFPVBQESA-N 2 1 238.291 -0.301 20 0 BBADMP CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCC[NH3+] ZINC000414680191 386162563 /nfs/dbraw/zinc/16/25/63/386162563.db2.gz SWLZGLHIAJBIBC-JTQLQIEISA-N 2 1 249.380 -0.261 20 0 BBADMP CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCC[NH3+] ZINC000414680191 386162561 /nfs/dbraw/zinc/16/25/61/386162561.db2.gz SWLZGLHIAJBIBC-JTQLQIEISA-N 2 1 249.380 -0.261 20 0 BBADMP CS(=O)(=O)NC[C@H]1CCCC[N@H+]1CCC[NH3+] ZINC000414680195 386162614 /nfs/dbraw/zinc/16/26/14/386162614.db2.gz SWLZGLHIAJBIBC-SNVBAGLBSA-N 2 1 249.380 -0.261 20 0 BBADMP CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCC[NH3+] ZINC000414680195 386162610 /nfs/dbraw/zinc/16/26/10/386162610.db2.gz SWLZGLHIAJBIBC-SNVBAGLBSA-N 2 1 249.380 -0.261 20 0 BBADMP C[C@H](CN1CCOCC1)[N@@H+](C)CCC[NH3+] ZINC000414737214 386307183 /nfs/dbraw/zinc/30/71/83/386307183.db2.gz AFDDHUKNEGCVQV-LLVKDONJSA-N 2 1 215.341 -0.012 20 0 BBADMP C[C@@H](CN1CCOCC1)[N@@H+](C)CCC[NH3+] ZINC000414737215 386308091 /nfs/dbraw/zinc/30/80/91/386308091.db2.gz AFDDHUKNEGCVQV-NSHDSACASA-N 2 1 215.341 -0.012 20 0 BBADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CC(=O)N(C)C1=O ZINC000414743720 487821222 /nfs/dbraw/zinc/82/12/22/487821222.db2.gz NPNSSDPUGFAVLA-SECBINFHSA-N 2 1 227.308 -0.196 20 0 BBADMP CCC[N@H+](CCC[NH3+])[C@@H]1CC(=O)N(C)C1=O ZINC000414743720 487821220 /nfs/dbraw/zinc/82/12/20/487821220.db2.gz NPNSSDPUGFAVLA-SECBINFHSA-N 2 1 227.308 -0.196 20 0 BBADMP CCC[N@@H+](CCC[NH3+])[C@H]1CC(=O)N(C)C1=O ZINC000414743721 487821338 /nfs/dbraw/zinc/82/13/38/487821338.db2.gz NPNSSDPUGFAVLA-VIFPVBQESA-N 2 1 227.308 -0.196 20 0 BBADMP CCC[N@H+](CCC[NH3+])[C@H]1CC(=O)N(C)C1=O ZINC000414743721 487821336 /nfs/dbraw/zinc/82/13/36/487821336.db2.gz NPNSSDPUGFAVLA-VIFPVBQESA-N 2 1 227.308 -0.196 20 0 BBADMP COC(=O)[C@]12C[N@@H+](CCC[NH3+])C[C@H]1COCC2 ZINC000414753810 644870768 /nfs/dbraw/zinc/87/07/68/644870768.db2.gz FESJYIMBODMWSE-CMPLNLGQSA-N 2 1 242.319 -0.153 20 0 BBADMP CC[C@H](COC)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414982614 386075548 /nfs/dbraw/zinc/07/55/48/386075548.db2.gz ZIOSLAXYDHBUHE-GHMZBOCLSA-N 2 1 215.341 -0.095 20 0 BBADMP CC[C@H](COC)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414982615 386076876 /nfs/dbraw/zinc/07/68/76/386076876.db2.gz ZIOSLAXYDHBUHE-MNOVXSKESA-N 2 1 215.341 -0.095 20 0 BBADMP CC[C@@H](COC)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414982616 386076121 /nfs/dbraw/zinc/07/61/21/386076121.db2.gz ZIOSLAXYDHBUHE-QWRGUYRKSA-N 2 1 215.341 -0.095 20 0 BBADMP CC[C@@H](COC)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414982617 386076604 /nfs/dbraw/zinc/07/66/04/386076604.db2.gz ZIOSLAXYDHBUHE-WDEREUQCSA-N 2 1 215.341 -0.095 20 0 BBADMP C[C@H](C[NH3+])CNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000417276294 386468756 /nfs/dbraw/zinc/46/87/56/386468756.db2.gz DKBWUUJDLQEFDH-NXEZZACHSA-N 2 1 228.340 -0.025 20 0 BBADMP C[C@@H](C[NH3+])CNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000417276295 386469001 /nfs/dbraw/zinc/46/90/01/386469001.db2.gz DKBWUUJDLQEFDH-UWVGGRQHSA-N 2 1 228.340 -0.025 20 0 BBADMP C[C@@H](C[NH3+])CNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000417276296 386468949 /nfs/dbraw/zinc/46/89/49/386468949.db2.gz DKBWUUJDLQEFDH-VHSXEESVSA-N 2 1 228.340 -0.025 20 0 BBADMP C[C@H](C[NH3+])CNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000417276297 386468792 /nfs/dbraw/zinc/46/87/92/386468792.db2.gz DKBWUUJDLQEFDH-ZJUUUORDSA-N 2 1 228.340 -0.025 20 0 BBADMP C[NH2+]CCCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000417277014 386471150 /nfs/dbraw/zinc/47/11/50/386471150.db2.gz FTXYMEZFJJAZOJ-JTQLQIEISA-N 2 1 228.340 -0.011 20 0 BBADMP C[NH2+]CCCNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000417277015 386471191 /nfs/dbraw/zinc/47/11/91/386471191.db2.gz FTXYMEZFJJAZOJ-SNVBAGLBSA-N 2 1 228.340 -0.011 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH2+]CC1 ZINC000417287115 386476175 /nfs/dbraw/zinc/47/61/75/386476175.db2.gz OAMXYZHZCDVISP-JTQLQIEISA-N 2 1 226.324 -0.305 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH2+]CC1 ZINC000417287120 386474921 /nfs/dbraw/zinc/47/49/21/386474921.db2.gz OAMXYZHZCDVISP-SNVBAGLBSA-N 2 1 226.324 -0.305 20 0 BBADMP CC[NH2+]CCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000417288442 386474750 /nfs/dbraw/zinc/47/47/50/386474750.db2.gz RGDDKMAHWOQSMN-JTQLQIEISA-N 2 1 228.340 -0.011 20 0 BBADMP CC[NH2+]CCNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000417288443 386475297 /nfs/dbraw/zinc/47/52/97/386475297.db2.gz RGDDKMAHWOQSMN-SNVBAGLBSA-N 2 1 228.340 -0.011 20 0 BBADMP CC[C@H]([NH3+])CNC(=O)NCC[N@@H+](C)CCOC ZINC000417438436 387120589 /nfs/dbraw/zinc/12/05/89/387120589.db2.gz JKOWPNPOXQMPCF-JTQLQIEISA-N 2 1 246.355 -0.399 20 0 BBADMP CC[C@@H]([NH3+])CNC(=O)NCC[N@@H+](C)CCOC ZINC000417438437 387120686 /nfs/dbraw/zinc/12/06/86/387120686.db2.gz JKOWPNPOXQMPCF-SNVBAGLBSA-N 2 1 246.355 -0.399 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000417439983 387124987 /nfs/dbraw/zinc/12/49/87/387124987.db2.gz NGPISELUTYLOAN-NXEZZACHSA-N 2 1 246.355 -0.401 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000417439985 387124295 /nfs/dbraw/zinc/12/42/95/387124295.db2.gz NGPISELUTYLOAN-UWVGGRQHSA-N 2 1 246.355 -0.401 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000417439987 387124420 /nfs/dbraw/zinc/12/44/20/387124420.db2.gz NGPISELUTYLOAN-VHSXEESVSA-N 2 1 246.355 -0.401 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000417439988 387124449 /nfs/dbraw/zinc/12/44/49/387124449.db2.gz NGPISELUTYLOAN-ZJUUUORDSA-N 2 1 246.355 -0.401 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)NC[C@@H](C)C[NH3+] ZINC000417442496 385926785 /nfs/dbraw/zinc/92/67/85/385926785.db2.gz UVJDSCGDIZBXIN-JTQLQIEISA-N 2 1 246.355 -0.541 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)NC[C@H](C)C[NH3+] ZINC000417442498 385927698 /nfs/dbraw/zinc/92/76/98/385927698.db2.gz UVJDSCGDIZBXIN-SNVBAGLBSA-N 2 1 246.355 -0.541 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)NCC(C)(C)[NH3+] ZINC000417443052 385930104 /nfs/dbraw/zinc/93/01/04/385930104.db2.gz WUXXVLGPTDCMPT-UHFFFAOYSA-N 2 1 246.355 -0.399 20 0 BBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC[NH3+] ZINC000417444503 385935530 /nfs/dbraw/zinc/93/55/30/385935530.db2.gz CXCHRDMFFKKPLR-SECBINFHSA-N 2 1 216.329 -0.025 20 0 BBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCC[NH3+] ZINC000417444505 385935034 /nfs/dbraw/zinc/93/50/34/385935034.db2.gz CXCHRDMFFKKPLR-VIFPVBQESA-N 2 1 216.329 -0.025 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)NCC[C@H](C)[NH3+] ZINC000417445288 385938271 /nfs/dbraw/zinc/93/82/71/385938271.db2.gz GMYXKPLIWNMOMQ-JTQLQIEISA-N 2 1 246.355 -0.399 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)N1CC[NH2+]CC1 ZINC000417445461 385937204 /nfs/dbraw/zinc/93/72/04/385937204.db2.gz HBQTUDGLTJQVMV-UHFFFAOYSA-N 2 1 244.339 -0.821 20 0 BBADMP CC[NH2+]CCNC(=O)NCC[N@@H+](C)CCOC ZINC000417446057 385955592 /nfs/dbraw/zinc/95/55/92/385955592.db2.gz JKHJJURECPBELB-UHFFFAOYSA-N 2 1 246.355 -0.527 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)NC(C)(C)C[NH3+] ZINC000417448040 385962884 /nfs/dbraw/zinc/96/28/84/385962884.db2.gz SPQNJJBBRZYBFI-UHFFFAOYSA-N 2 1 246.355 -0.399 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)N[C@@H](C)CC[NH3+] ZINC000417450008 385976802 /nfs/dbraw/zinc/97/68/02/385976802.db2.gz ZIBODMRJEXUEIV-JTQLQIEISA-N 2 1 246.355 -0.399 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)N[C@H](C)CC[NH3+] ZINC000417450009 385976442 /nfs/dbraw/zinc/97/64/42/385976442.db2.gz ZIBODMRJEXUEIV-SNVBAGLBSA-N 2 1 246.355 -0.399 20 0 BBADMP CC[N@@H+](CCNC(=O)NCC[NH3+])C(C)C ZINC000417459212 386010571 /nfs/dbraw/zinc/01/05/71/386010571.db2.gz IUBCMKBOIJRWKS-UHFFFAOYSA-N 2 1 216.329 -0.025 20 0 BBADMP CC[N@@H+](CCNC(=O)NCC[NH2+]C)C1CC1 ZINC000417478352 386114516 /nfs/dbraw/zinc/11/45/16/386114516.db2.gz DHQNTIIGSUOQJY-UHFFFAOYSA-N 2 1 228.340 -0.011 20 0 BBADMP CC[N@@H+](CCNC(=O)NCC[NH3+])C1CC1 ZINC000417487384 386140484 /nfs/dbraw/zinc/14/04/84/386140484.db2.gz NPBQWHSRXOUKAQ-UHFFFAOYSA-N 2 1 214.313 -0.271 20 0 BBADMP C[NH2+]CCNC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000417551831 386354589 /nfs/dbraw/zinc/35/45/89/386354589.db2.gz OWSLEAFAVVVGFX-SECBINFHSA-N 2 1 228.340 -0.012 20 0 BBADMP C[NH2+]CCNC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000417551832 386356186 /nfs/dbraw/zinc/35/61/86/386356186.db2.gz OWSLEAFAVVVGFX-VIFPVBQESA-N 2 1 228.340 -0.012 20 0 BBADMP [NH3+]CCCNC(=O)NCC[NH+]1CCSCC1 ZINC000417613331 386449579 /nfs/dbraw/zinc/44/95/79/386449579.db2.gz SRCNZFZORUHALF-UHFFFAOYSA-N 2 1 246.380 -0.317 20 0 BBADMP C[C@H](C[NH3+])NC(=O)NCC[NH+]1CCSCC1 ZINC000417615858 398244364 /nfs/dbraw/zinc/24/43/64/398244364.db2.gz XXEWIAZXWVTRNX-SECBINFHSA-N 2 1 246.380 -0.318 20 0 BBADMP C[C@@H](C[NH3+])NC(=O)NCC[NH+]1CCSCC1 ZINC000417615859 398244453 /nfs/dbraw/zinc/24/44/53/398244453.db2.gz XXEWIAZXWVTRNX-VIFPVBQESA-N 2 1 246.380 -0.318 20 0 BBADMP CCCC[N@@H+](C)CCNC(=O)NCC[NH3+] ZINC000417616733 386445467 /nfs/dbraw/zinc/44/54/67/386445467.db2.gz ZFCOQALZGVEFPL-UHFFFAOYSA-N 2 1 216.329 -0.024 20 0 BBADMP C[NH2+]CCNC(=O)NCC[NH+]1CCSCC1 ZINC000417617146 386444887 /nfs/dbraw/zinc/44/48/87/386444887.db2.gz ZTBAQGGSYRVUNC-UHFFFAOYSA-N 2 1 246.380 -0.446 20 0 BBADMP C[NH2+]CCCNC(=O)NCC[N@@H+](C)C1CC1 ZINC000417623852 386472645 /nfs/dbraw/zinc/47/26/45/386472645.db2.gz JNEHCWFKBBIDAV-UHFFFAOYSA-N 2 1 228.340 -0.011 20 0 BBADMP CC[NH2+]CCNC(=O)NCC[N@@H+](C)C1CC1 ZINC000417625809 386463297 /nfs/dbraw/zinc/46/32/97/386463297.db2.gz MWZFZUIWNHMNHJ-UHFFFAOYSA-N 2 1 228.340 -0.011 20 0 BBADMP C[NH2+]CCN(C)C(=O)NCC[N@@H+](C)C1CC1 ZINC000417627447 487989699 /nfs/dbraw/zinc/98/96/99/487989699.db2.gz PKURSLMUYGZDFP-UHFFFAOYSA-N 2 1 228.340 -0.059 20 0 BBADMP C[C@H](C[NH3+])CNC(=O)NCC[N@@H+](C)C1CC1 ZINC000417634026 191909855 /nfs/dbraw/zinc/90/98/55/191909855.db2.gz YQGINQOESOGJBB-SECBINFHSA-N 2 1 228.340 -0.025 20 0 BBADMP C[C@@H](C[NH3+])CNC(=O)NCC[N@@H+](C)C1CC1 ZINC000417634028 386478417 /nfs/dbraw/zinc/47/84/17/386478417.db2.gz YQGINQOESOGJBB-VIFPVBQESA-N 2 1 228.340 -0.025 20 0 BBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH2+]CC1 ZINC000417691010 386559092 /nfs/dbraw/zinc/55/90/92/386559092.db2.gz WHRNZSHVHZJHDU-JTQLQIEISA-N 2 1 238.335 -0.162 20 0 BBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH2+]CC1 ZINC000417691011 386558829 /nfs/dbraw/zinc/55/88/29/386558829.db2.gz WHRNZSHVHZJHDU-SNVBAGLBSA-N 2 1 238.335 -0.162 20 0 BBADMP COCCC[N@@H+](C)CCNC(=O)N[C@@H](C)C[NH3+] ZINC000417753628 488013461 /nfs/dbraw/zinc/01/34/61/488013461.db2.gz OXMVINQBQUUPKH-JTQLQIEISA-N 2 1 246.355 -0.399 20 0 BBADMP COCCC[N@@H+](C)CCNC(=O)N[C@H](C)C[NH3+] ZINC000417753629 488012928 /nfs/dbraw/zinc/01/29/28/488012928.db2.gz OXMVINQBQUUPKH-SNVBAGLBSA-N 2 1 246.355 -0.399 20 0 BBADMP CCC[N@@H+](CC)CCNC(=O)NCC[NH3+] ZINC000417809846 386787919 /nfs/dbraw/zinc/78/79/19/386787919.db2.gz HRXRJEUYZNDRMA-UHFFFAOYSA-N 2 1 216.329 -0.024 20 0 BBADMP C[NH2+]CCNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000417877357 386832073 /nfs/dbraw/zinc/83/20/73/386832073.db2.gz PRIBLOCKTUFKEN-GXSJLCMTSA-N 2 1 240.351 -0.012 20 0 BBADMP C[NH2+]CCNC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000417877358 386831650 /nfs/dbraw/zinc/83/16/50/386831650.db2.gz PRIBLOCKTUFKEN-KOLCDFICSA-N 2 1 240.351 -0.012 20 0 BBADMP C[NH2+]CCNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000417877359 386831800 /nfs/dbraw/zinc/83/18/00/386831800.db2.gz PRIBLOCKTUFKEN-MWLCHTKSSA-N 2 1 240.351 -0.012 20 0 BBADMP C[NH2+]CCNC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000417877360 386832052 /nfs/dbraw/zinc/83/20/52/386832052.db2.gz PRIBLOCKTUFKEN-ONGXEEELSA-N 2 1 240.351 -0.012 20 0 BBADMP C[NH2+]CCNC(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000417999518 386812530 /nfs/dbraw/zinc/81/25/30/386812530.db2.gz IJKZJXYCKOPXOY-NXEZZACHSA-N 2 1 228.340 -0.012 20 0 BBADMP C[NH2+]CCNC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000417999520 386813721 /nfs/dbraw/zinc/81/37/21/386813721.db2.gz IJKZJXYCKOPXOY-UWVGGRQHSA-N 2 1 228.340 -0.012 20 0 BBADMP C[NH2+]CCNC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000417999522 191950679 /nfs/dbraw/zinc/95/06/79/191950679.db2.gz IJKZJXYCKOPXOY-VHSXEESVSA-N 2 1 228.340 -0.012 20 0 BBADMP C[NH2+]CCNC(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000417999524 386813466 /nfs/dbraw/zinc/81/34/66/386813466.db2.gz IJKZJXYCKOPXOY-ZJUUUORDSA-N 2 1 228.340 -0.012 20 0 BBADMP C[C@@H]1[C@@H](NC(=O)NCC[NH3+])CCC[N@H+]1C ZINC000418013561 386918832 /nfs/dbraw/zinc/91/88/32/386918832.db2.gz ZKCZYPIGIYSBDD-BDAKNGLRSA-N 2 1 214.313 -0.273 20 0 BBADMP C[C@H]1[C@H](NC(=O)NCC[NH3+])CCC[N@H+]1C ZINC000418013564 386919997 /nfs/dbraw/zinc/91/99/97/386919997.db2.gz ZKCZYPIGIYSBDD-DTWKUNHWSA-N 2 1 214.313 -0.273 20 0 BBADMP C[C@H]1[C@@H](NC(=O)NCC[NH3+])CCC[N@H+]1C ZINC000418013565 386920350 /nfs/dbraw/zinc/92/03/50/386920350.db2.gz ZKCZYPIGIYSBDD-IUCAKERBSA-N 2 1 214.313 -0.273 20 0 BBADMP C[C@@H]1[C@H](NC(=O)NCC[NH3+])CCC[N@H+]1C ZINC000418013566 386920125 /nfs/dbraw/zinc/92/01/25/386920125.db2.gz ZKCZYPIGIYSBDD-RKDXNWHRSA-N 2 1 214.313 -0.273 20 0 BBADMP CC1=CC[N@@H+](CCNC(=O)NCC[NH3+])CC1 ZINC000418027599 387037497 /nfs/dbraw/zinc/03/74/97/387037497.db2.gz PMCGWVVXMBJKFJ-UHFFFAOYSA-N 2 1 226.324 -0.104 20 0 BBADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC[NH3+] ZINC000418195520 387214535 /nfs/dbraw/zinc/21/45/35/387214535.db2.gz GEZULAIJCYPEIV-VIFPVBQESA-N 2 1 216.329 -0.027 20 0 BBADMP C[C@@H](C[NH+](C)C)NC(=O)NCC(F)(F)C[NH3+] ZINC000418206181 387220345 /nfs/dbraw/zinc/22/03/45/387220345.db2.gz OGTZVKXFTJDJAH-ZETCQYMHSA-N 2 1 238.282 -0.170 20 0 BBADMP C[C@@H](CNC(=O)NCC(F)(F)C[NH3+])[NH+](C)C ZINC000418250571 387233973 /nfs/dbraw/zinc/23/39/73/387233973.db2.gz HKPNBLZZOAAOAR-ZETCQYMHSA-N 2 1 238.282 -0.170 20 0 BBADMP CC[NH+]1CCN(C(=O)NCCC[NH2+]C)CC1 ZINC000418278909 192012459 /nfs/dbraw/zinc/01/24/59/192012459.db2.gz NETDNNJTSBNZDF-UHFFFAOYSA-N 2 1 228.340 -0.057 20 0 BBADMP CC[NH2+]CCNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000418315040 192022157 /nfs/dbraw/zinc/02/21/57/192022157.db2.gz GEDGMTHVSULFQY-WDEREUQCSA-N 2 1 240.351 -0.059 20 0 BBADMP CC[NH+]1CCN(C(=O)NCCC[NH3+])CC1 ZINC000418315355 192022682 /nfs/dbraw/zinc/02/26/82/192022682.db2.gz UWKDHXASQUGFHQ-UHFFFAOYSA-N 2 1 214.313 -0.318 20 0 BBADMP CC[NH2+]CCNC(=O)NCC(F)(F)C[NH3+] ZINC000418315408 192022677 /nfs/dbraw/zinc/02/26/77/192022677.db2.gz HLXSYIJCRJOEEL-UHFFFAOYSA-N 2 1 224.255 -0.511 20 0 BBADMP CC[NH+]1CCN(C(=O)NCC[NH2+]C)CC1 ZINC000418316003 357268713 /nfs/dbraw/zinc/26/87/13/357268713.db2.gz JFHDPAIMWRHXSO-UHFFFAOYSA-N 2 1 214.313 -0.447 20 0 BBADMP C[NH2+]CCNC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000418318868 192023508 /nfs/dbraw/zinc/02/35/08/192023508.db2.gz CGECMHSNXZOPHS-UHFFFAOYSA-N 2 1 228.340 -0.059 20 0 BBADMP C[NH2+]CCNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000418323210 387829300 /nfs/dbraw/zinc/82/93/00/387829300.db2.gz FQMVALCCZLCYEH-UHFFFAOYSA-N 2 1 226.324 -0.305 20 0 BBADMP CC[NH2+]CCNC(=O)N1CC[NH+](C)CC1 ZINC000418324624 387831052 /nfs/dbraw/zinc/83/10/52/387831052.db2.gz KEXHGKROXWUQMF-UHFFFAOYSA-N 2 1 214.313 -0.447 20 0 BBADMP CC[NH2+]CCNC(=O)N1CC[NH+](CC)CC1 ZINC000418329626 192025361 /nfs/dbraw/zinc/02/53/61/192025361.db2.gz UUOZXEDSGACJOR-UHFFFAOYSA-N 2 1 228.340 -0.057 20 0 BBADMP CC[NH2+]CCNC(=O)NCC[N@@H+](CC)CCO ZINC000418331584 192025525 /nfs/dbraw/zinc/02/55/25/192025525.db2.gz XQYDRUOUERKMKR-UHFFFAOYSA-N 2 1 246.355 -0.791 20 0 BBADMP CC[N@H+]1CCCN(C(=O)NCC[NH2+]C)CC1 ZINC000418333046 192025483 /nfs/dbraw/zinc/02/54/83/192025483.db2.gz RJLLESOXDHSNOW-UHFFFAOYSA-N 2 1 228.340 -0.057 20 0 BBADMP C[NH2+]CCNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000418338753 192026280 /nfs/dbraw/zinc/02/62/80/192026280.db2.gz ZZEUTRKKZVCWBU-UHFFFAOYSA-N 2 1 226.324 -0.233 20 0 BBADMP [NH3+]CCCNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000418355057 206012172 /nfs/dbraw/zinc/01/21/72/206012172.db2.gz OVLDZXADMAMIMX-UHFFFAOYSA-N 2 1 226.324 -0.104 20 0 BBADMP C[NH2+]C[C@H](C)CNC(=O)N1CC[NH+](C)CC1 ZINC000418365768 192028892 /nfs/dbraw/zinc/02/88/92/192028892.db2.gz FILODZZLCGJBOB-JTQLQIEISA-N 2 1 228.340 -0.201 20 0 BBADMP C[NH2+]C[C@@H](C)CNC(=O)N1CC[NH+](C)CC1 ZINC000418365769 192028951 /nfs/dbraw/zinc/02/89/51/192028951.db2.gz FILODZZLCGJBOB-SNVBAGLBSA-N 2 1 228.340 -0.201 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418379782 206016306 /nfs/dbraw/zinc/01/63/06/206016306.db2.gz WIHAJWFMOBKBPT-SSDOTTSWSA-N 2 1 236.266 -0.368 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418379792 206015556 /nfs/dbraw/zinc/01/55/56/206015556.db2.gz WIHAJWFMOBKBPT-ZETCQYMHSA-N 2 1 236.266 -0.368 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418388298 192032063 /nfs/dbraw/zinc/03/20/63/192032063.db2.gz USYSVQCBTBKXBS-SSDOTTSWSA-N 2 1 236.266 -0.368 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418388300 192032090 /nfs/dbraw/zinc/03/20/90/192032090.db2.gz USYSVQCBTBKXBS-ZETCQYMHSA-N 2 1 236.266 -0.368 20 0 BBADMP CC(C)[C@H]([NH3+])CNC(=O)NCC(F)(F)C[NH3+] ZINC000418400866 323391586 /nfs/dbraw/zinc/39/15/86/323391586.db2.gz HMTLHULKWWUITN-SSDOTTSWSA-N 2 1 238.282 -0.137 20 0 BBADMP CC(C)[C@@H]([NH3+])CNC(=O)NCC(F)(F)C[NH3+] ZINC000418400867 323391597 /nfs/dbraw/zinc/39/15/97/323391597.db2.gz HMTLHULKWWUITN-ZETCQYMHSA-N 2 1 238.282 -0.137 20 0 BBADMP C[NH2+]C[C@@H](C)CNC(=O)NCC(F)(F)C[NH3+] ZINC000418402855 192033505 /nfs/dbraw/zinc/03/35/05/192033505.db2.gz ZMYJYHVICOOTTA-SSDOTTSWSA-N 2 1 238.282 -0.265 20 0 BBADMP C[NH2+]C[C@H](C)CNC(=O)NCC(F)(F)C[NH3+] ZINC000418402856 192033790 /nfs/dbraw/zinc/03/37/90/192033790.db2.gz ZMYJYHVICOOTTA-ZETCQYMHSA-N 2 1 238.282 -0.265 20 0 BBADMP [NH3+]C[C@@H](NC(=O)NCC(F)(F)C[NH3+])C1CC1 ZINC000418413736 192034681 /nfs/dbraw/zinc/03/46/81/192034681.db2.gz ZCPVAUKJOKPAOB-SSDOTTSWSA-N 2 1 236.266 -0.383 20 0 BBADMP [NH3+]C[C@H](NC(=O)NCC(F)(F)C[NH3+])C1CC1 ZINC000418413737 192035171 /nfs/dbraw/zinc/03/51/71/192035171.db2.gz ZCPVAUKJOKPAOB-ZETCQYMHSA-N 2 1 236.266 -0.383 20 0 BBADMP CC(C)([NH3+])CNC(=O)NCC(F)(F)C[NH3+] ZINC000418414472 192034784 /nfs/dbraw/zinc/03/47/84/192034784.db2.gz LQDIWUDQJUKKDN-UHFFFAOYSA-N 2 1 224.255 -0.383 20 0 BBADMP CC[NH+]1CCN(C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000418474694 192039035 /nfs/dbraw/zinc/03/90/35/192039035.db2.gz PYKIWJHYNSENDW-JTQLQIEISA-N 2 1 228.340 -0.072 20 0 BBADMP CC[NH+]1CCN(C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000418474696 192038935 /nfs/dbraw/zinc/03/89/35/192038935.db2.gz PYKIWJHYNSENDW-SNVBAGLBSA-N 2 1 228.340 -0.072 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418479379 192039874 /nfs/dbraw/zinc/03/98/74/192039874.db2.gz ALKJNXFJRXVZJB-SSDOTTSWSA-N 2 1 236.266 -0.383 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000418479380 192039701 /nfs/dbraw/zinc/03/97/01/192039701.db2.gz ALKJNXFJRXVZJB-ZETCQYMHSA-N 2 1 236.266 -0.383 20 0 BBADMP C[C@@H](C[NH3+])CNC(=O)NCC(F)(F)C[NH3+] ZINC000418481782 192040271 /nfs/dbraw/zinc/04/02/71/192040271.db2.gz DRSYLHKFZLWFRF-LURJTMIESA-N 2 1 224.255 -0.526 20 0 BBADMP C[C@H](C[NH3+])CNC(=O)NCC(F)(F)C[NH3+] ZINC000418481783 192040616 /nfs/dbraw/zinc/04/06/16/192040616.db2.gz DRSYLHKFZLWFRF-ZCFIWIBFSA-N 2 1 224.255 -0.526 20 0 BBADMP CCC[NH2+]CCNC(=O)N1CC[NH+](C)CC1 ZINC000418489538 192041605 /nfs/dbraw/zinc/04/16/05/192041605.db2.gz NMYRWYFMFXZYDN-UHFFFAOYSA-N 2 1 228.340 -0.057 20 0 BBADMP CCC[NH2+]CCNC(=O)NCC(F)(F)C[NH3+] ZINC000418492256 192041661 /nfs/dbraw/zinc/04/16/61/192041661.db2.gz URLMPZIDZQTETC-UHFFFAOYSA-N 2 1 238.282 -0.121 20 0 BBADMP C[C@H]([NH3+])CCNC(=O)NCC(F)(F)C[NH3+] ZINC000418507015 192044702 /nfs/dbraw/zinc/04/47/02/192044702.db2.gz AUZFVIADGLRDFR-LURJTMIESA-N 2 1 224.255 -0.383 20 0 BBADMP CC[NH2+][C@H](C)CNC(=O)NCC(F)(F)C[NH3+] ZINC000418508676 192044973 /nfs/dbraw/zinc/04/49/73/192044973.db2.gz FAFVPFVONVAEPT-SSDOTTSWSA-N 2 1 238.282 -0.122 20 0 BBADMP CC[C@H]([NH3+])CNC(=O)NCC(F)(F)C[NH3+] ZINC000418511211 192045374 /nfs/dbraw/zinc/04/53/74/192045374.db2.gz JFGQSHWVSFNYRZ-LURJTMIESA-N 2 1 224.255 -0.383 20 0 BBADMP CC[C@@H]([NH3+])CNC(=O)NCC(F)(F)C[NH3+] ZINC000418511212 192045828 /nfs/dbraw/zinc/04/58/28/192045828.db2.gz JFGQSHWVSFNYRZ-ZCFIWIBFSA-N 2 1 224.255 -0.383 20 0 BBADMP CC(C)(C[NH3+])NC(=O)NCC(F)(F)C[NH3+] ZINC000418512951 192045409 /nfs/dbraw/zinc/04/54/09/192045409.db2.gz LSMQNBADLLSHOX-UHFFFAOYSA-N 2 1 224.255 -0.383 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418514042 192045847 /nfs/dbraw/zinc/04/58/47/192045847.db2.gz NUBGJNROJXOADQ-ZMONIFLSSA-N 2 1 234.250 -0.903 20 0 BBADMP C[C@@H](NC(=O)NCC(F)(F)C[NH3+])[C@H](C)[NH3+] ZINC000418518245 192046408 /nfs/dbraw/zinc/04/64/08/192046408.db2.gz XAKMYSVENLVTRB-NTSWFWBYSA-N 2 1 224.255 -0.385 20 0 BBADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC(F)(F)C[NH3+] ZINC000418518253 192046306 /nfs/dbraw/zinc/04/63/06/192046306.db2.gz XAKMYSVENLVTRB-PHDIDXHHSA-N 2 1 224.255 -0.385 20 0 BBADMP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC(F)(F)C[NH3+] ZINC000418518255 192046077 /nfs/dbraw/zinc/04/60/77/192046077.db2.gz XAKMYSVENLVTRB-RITPCOANSA-N 2 1 224.255 -0.385 20 0 BBADMP C[C@H]([NH3+])[C@H](C)NC(=O)NCC(F)(F)C[NH3+] ZINC000418518256 192046142 /nfs/dbraw/zinc/04/61/42/192046142.db2.gz XAKMYSVENLVTRB-WDSKDSINSA-N 2 1 224.255 -0.385 20 0 BBADMP NCC(F)(F)CNC(=O)NCC(F)(F)C[NH3+] ZINC000418518380 192046485 /nfs/dbraw/zinc/04/64/85/192046485.db2.gz XJIYJXMMAFQWGA-UHFFFAOYSA-N 2 1 246.208 -0.526 20 0 BBADMP C[NH+](C)CCNC(=O)NCC(F)(F)C[NH3+] ZINC000418521385 192047050 /nfs/dbraw/zinc/04/70/50/192047050.db2.gz GEWFJZGNFXYWQO-UHFFFAOYSA-N 2 1 224.255 -0.559 20 0 BBADMP C[C@H](C[NH3+])NC(=O)NCC[N@@H+]1CC=CCC1 ZINC000418524712 192047971 /nfs/dbraw/zinc/04/79/71/192047971.db2.gz NNXLQLLVQIDAOO-SNVBAGLBSA-N 2 1 226.324 -0.105 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)NCC1([NH3+])CCC1 ZINC000418530803 192048407 /nfs/dbraw/zinc/04/84/07/192048407.db2.gz VSCJWHZEAALAJV-UHFFFAOYSA-N 2 1 236.266 -0.239 20 0 BBADMP C[C@@H](CC[NH3+])NC(=O)NCC(F)(F)C[NH3+] ZINC000418531028 192048199 /nfs/dbraw/zinc/04/81/99/192048199.db2.gz RHIIZOUAGLDOGE-LURJTMIESA-N 2 1 224.255 -0.383 20 0 BBADMP C[C@H](CC[NH3+])NC(=O)NCC(F)(F)C[NH3+] ZINC000418531033 192048183 /nfs/dbraw/zinc/04/81/83/192048183.db2.gz RHIIZOUAGLDOGE-ZCFIWIBFSA-N 2 1 224.255 -0.383 20 0 BBADMP CN(CC[NH+](C)C)C(=O)NCC(F)(F)C[NH3+] ZINC000418536225 192049171 /nfs/dbraw/zinc/04/91/71/192049171.db2.gz FXYSEBMXCCWTIY-UHFFFAOYSA-N 2 1 238.282 -0.217 20 0 BBADMP C[C@@H](C[NH3+])NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000418578184 192052770 /nfs/dbraw/zinc/05/27/70/192052770.db2.gz ZXPXSBIJCIJATD-VIFPVBQESA-N 2 1 226.324 -0.177 20 0 BBADMP CC[NH2+][C@H](C)CNC(=O)N1CC[NH+](C)CC1 ZINC000418604218 192054488 /nfs/dbraw/zinc/05/44/88/192054488.db2.gz QGZAYUHPKDGAHD-SNVBAGLBSA-N 2 1 228.340 -0.059 20 0 BBADMP C[C@@H](C[NH3+])NC(=O)NCC[N@@H+]1CC=CCC1 ZINC000418618649 192057089 /nfs/dbraw/zinc/05/70/89/192057089.db2.gz NNXLQLLVQIDAOO-JTQLQIEISA-N 2 1 226.324 -0.105 20 0 BBADMP CC[C@H]([NH3+])CNC(=O)NCC[N@@H+](CC)CCO ZINC000418727624 192065323 /nfs/dbraw/zinc/06/53/23/192065323.db2.gz MNHYUTPKAPYKBS-JTQLQIEISA-N 2 1 246.355 -0.663 20 0 BBADMP CC[C@@H]([NH3+])CNC(=O)NCC[N@@H+](CC)CCO ZINC000418727625 192065650 /nfs/dbraw/zinc/06/56/50/192065650.db2.gz MNHYUTPKAPYKBS-SNVBAGLBSA-N 2 1 246.355 -0.663 20 0 BBADMP C[C@H](C[NH3+])N(C)CC[N@H+]1CCO[C@H](C)C1 ZINC000420295111 192202762 /nfs/dbraw/zinc/20/27/62/192202762.db2.gz UVFGDSSSTLAHAY-GHMZBOCLSA-N 2 1 215.341 -0.014 20 0 BBADMP C[C@H](C[NH3+])N(C)CC[N@@H+]1CCO[C@H](C)C1 ZINC000420295111 192202760 /nfs/dbraw/zinc/20/27/60/192202760.db2.gz UVFGDSSSTLAHAY-GHMZBOCLSA-N 2 1 215.341 -0.014 20 0 BBADMP C[C@H](C[NH3+])N(C)CC[N@H+]1CCO[C@@H](C)C1 ZINC000420295112 192202901 /nfs/dbraw/zinc/20/29/01/192202901.db2.gz UVFGDSSSTLAHAY-MNOVXSKESA-N 2 1 215.341 -0.014 20 0 BBADMP C[C@H](C[NH3+])N(C)CC[N@@H+]1CCO[C@@H](C)C1 ZINC000420295112 192202900 /nfs/dbraw/zinc/20/29/00/192202900.db2.gz UVFGDSSSTLAHAY-MNOVXSKESA-N 2 1 215.341 -0.014 20 0 BBADMP C[C@@H](C[NH3+])N(C)CC[N@H+]1CCO[C@@H](C)C1 ZINC000420295113 192203504 /nfs/dbraw/zinc/20/35/04/192203504.db2.gz UVFGDSSSTLAHAY-QWRGUYRKSA-N 2 1 215.341 -0.014 20 0 BBADMP C[C@@H](C[NH3+])N(C)CC[N@@H+]1CCO[C@@H](C)C1 ZINC000420295113 192203502 /nfs/dbraw/zinc/20/35/02/192203502.db2.gz UVFGDSSSTLAHAY-QWRGUYRKSA-N 2 1 215.341 -0.014 20 0 BBADMP C[C@@H](C[NH3+])N(C)CC[N@H+]1CCO[C@H](C)C1 ZINC000420295114 192203558 /nfs/dbraw/zinc/20/35/58/192203558.db2.gz UVFGDSSSTLAHAY-WDEREUQCSA-N 2 1 215.341 -0.014 20 0 BBADMP C[C@@H](C[NH3+])N(C)CC[N@@H+]1CCO[C@H](C)C1 ZINC000420295114 192203555 /nfs/dbraw/zinc/20/35/55/192203555.db2.gz UVFGDSSSTLAHAY-WDEREUQCSA-N 2 1 215.341 -0.014 20 0 BBADMP CN(CCN1CC[NH2+]CC1)CC(C)(C)C[NH3+] ZINC000420295412 192203274 /nfs/dbraw/zinc/20/32/74/192203274.db2.gz VMSZMDGIIQMBOG-UHFFFAOYSA-N 2 1 228.384 -0.192 20 0 BBADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(C)(C)C[NH3+] ZINC000420295412 192203272 /nfs/dbraw/zinc/20/32/72/192203272.db2.gz VMSZMDGIIQMBOG-UHFFFAOYSA-N 3 1 228.384 -0.192 20 0 BBADMP CCCC[N@@H+](CCO)CCN1CC[NH2+]CC1 ZINC000420300505 192207287 /nfs/dbraw/zinc/20/72/87/192207287.db2.gz HUSSHWFXPPOSNN-UHFFFAOYSA-N 2 1 229.368 -0.014 20 0 BBADMP CC[N@@H+](CCCO)CCN1CC[NH2+]CC1 ZINC000420304901 192209065 /nfs/dbraw/zinc/20/90/65/192209065.db2.gz OXAZPJKMWJODCH-UHFFFAOYSA-N 2 1 215.341 -0.404 20 0 BBADMP C[C@H]1C[N@@H+](CCN(C)C2C[NH2+]C2)CCO1 ZINC000420318192 192214666 /nfs/dbraw/zinc/21/46/66/192214666.db2.gz PTXBTZROIBYZIY-JTQLQIEISA-N 2 1 213.325 -0.389 20 0 BBADMP C[C@H]1C[N@H+](CCN(C)C2C[NH2+]C2)CCO1 ZINC000420318192 192214664 /nfs/dbraw/zinc/21/46/64/192214664.db2.gz PTXBTZROIBYZIY-JTQLQIEISA-N 2 1 213.325 -0.389 20 0 BBADMP C[C@@H]1C[N@@H+](CCN(C)C2C[NH2+]C2)CCO1 ZINC000420318193 192214918 /nfs/dbraw/zinc/21/49/18/192214918.db2.gz PTXBTZROIBYZIY-SNVBAGLBSA-N 2 1 213.325 -0.389 20 0 BBADMP C[C@@H]1C[N@H+](CCN(C)C2C[NH2+]C2)CCO1 ZINC000420318193 192214915 /nfs/dbraw/zinc/21/49/15/192214915.db2.gz PTXBTZROIBYZIY-SNVBAGLBSA-N 2 1 213.325 -0.389 20 0 BBADMP CN(CCC(=O)N1CC[NH+](C)CC1)C1C[NH2+]C1 ZINC000420319194 192195410 /nfs/dbraw/zinc/19/54/10/192195410.db2.gz RILALCSQOHPXRH-UHFFFAOYSA-N 2 1 240.351 -0.946 20 0 BBADMP CN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C1C[NH2+]C1 ZINC000420320502 192195099 /nfs/dbraw/zinc/19/50/99/192195099.db2.gz TUAJAKBBDSKTEF-TXEJJXNPSA-N 2 1 225.336 -0.247 20 0 BBADMP CN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1C[NH2+]C1 ZINC000420320502 192195097 /nfs/dbraw/zinc/19/50/97/192195097.db2.gz TUAJAKBBDSKTEF-TXEJJXNPSA-N 2 1 225.336 -0.247 20 0 BBADMP CCS(=O)(=O)NCCC[N@@H+](C)C1CC([NH3+])C1 ZINC000420328634 192229867 /nfs/dbraw/zinc/22/98/67/192229867.db2.gz HYGVASROIIVWIM-UHFFFAOYSA-N 2 1 249.380 -0.263 20 0 BBADMP C[N@@H+](CCC(=O)N1CCOCC1)C1CC([NH3+])C1 ZINC000420329299 192230293 /nfs/dbraw/zinc/23/02/93/192230293.db2.gz JECQJOGGOJKOBX-UHFFFAOYSA-N 2 1 241.335 -0.343 20 0 BBADMP CN(C)S(=O)(=O)CCC[N@@H+](C)C1CC([NH3+])C1 ZINC000420329614 192228802 /nfs/dbraw/zinc/22/88/02/192228802.db2.gz KEBKXROSRZCHNV-UHFFFAOYSA-N 2 1 249.380 -0.311 20 0 BBADMP CN(C)S(=O)(=O)CCC[N@H+](C)C1CC([NH3+])C1 ZINC000420329614 192228801 /nfs/dbraw/zinc/22/88/01/192228801.db2.gz KEBKXROSRZCHNV-UHFFFAOYSA-N 2 1 249.380 -0.311 20 0 BBADMP C[NH2+]CCN(C)[C@H](C)C[NH+]1CCOCC1 ZINC000420336822 192214150 /nfs/dbraw/zinc/21/41/50/192214150.db2.gz LKRFBXAFFKIKLG-LLVKDONJSA-N 2 1 215.341 -0.142 20 0 BBADMP C[NH2+]CCN(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000420336823 192214155 /nfs/dbraw/zinc/21/41/55/192214155.db2.gz LKRFBXAFFKIKLG-NSHDSACASA-N 2 1 215.341 -0.142 20 0 BBADMP C[NH2+]CCN(C)CCC[NH+]1CCOCC1 ZINC000420337853 192216530 /nfs/dbraw/zinc/21/65/30/192216530.db2.gz NDXXSFSKGRXXKM-UHFFFAOYSA-N 2 1 215.341 -0.140 20 0 BBADMP C[N@@H+](CCC(=O)N1CCNCC1)C1CC([NH3+])C1 ZINC000420340805 192215952 /nfs/dbraw/zinc/21/59/52/192215952.db2.gz ULRZMPUSCNHZBT-UHFFFAOYSA-N 2 1 240.351 -0.770 20 0 BBADMP C[N@H+](CCC(=O)N1CCNCC1)C1CC([NH3+])C1 ZINC000420340805 192215950 /nfs/dbraw/zinc/21/59/50/192215950.db2.gz ULRZMPUSCNHZBT-UHFFFAOYSA-N 2 1 240.351 -0.770 20 0 BBADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C1CC([NH3+])C1 ZINC000420340805 192215948 /nfs/dbraw/zinc/21/59/48/192215948.db2.gz ULRZMPUSCNHZBT-UHFFFAOYSA-N 3 1 240.351 -0.770 20 0 BBADMP C[NH2+]CCN(C)CC[N@H+]1CCO[C@H](C)C1 ZINC000420343315 192215557 /nfs/dbraw/zinc/21/55/57/192215557.db2.gz ZGKZELYEURKXRI-LLVKDONJSA-N 2 1 215.341 -0.142 20 0 BBADMP C[NH2+]CCN(C)CC[N@@H+]1CCO[C@H](C)C1 ZINC000420343315 192215554 /nfs/dbraw/zinc/21/55/54/192215554.db2.gz ZGKZELYEURKXRI-LLVKDONJSA-N 2 1 215.341 -0.142 20 0 BBADMP C[NH2+]CCN(C)CC[N@H+]1CCO[C@@H](C)C1 ZINC000420343316 192216576 /nfs/dbraw/zinc/21/65/76/192216576.db2.gz ZGKZELYEURKXRI-NSHDSACASA-N 2 1 215.341 -0.142 20 0 BBADMP C[NH2+]CCN(C)CC[N@@H+]1CCO[C@@H](C)C1 ZINC000420343316 192216575 /nfs/dbraw/zinc/21/65/75/192216575.db2.gz ZGKZELYEURKXRI-NSHDSACASA-N 2 1 215.341 -0.142 20 0 BBADMP CN(CCN1CC[NH2+]CC1)C1CC([NH3+])C1 ZINC000420345464 192215460 /nfs/dbraw/zinc/21/54/60/192215460.db2.gz ZNFRVMWOSMCMRM-UHFFFAOYSA-N 2 1 212.341 -0.687 20 0 BBADMP C[N@@H+](CCN1CC[NH2+]CC1)C1CC([NH3+])C1 ZINC000420345464 192215458 /nfs/dbraw/zinc/21/54/58/192215458.db2.gz ZNFRVMWOSMCMRM-UHFFFAOYSA-N 3 1 212.341 -0.687 20 0 BBADMP COC(=O)[C@H](C)C[N@@H+](C)CCOCC[NH3+] ZINC000420353394 192217903 /nfs/dbraw/zinc/21/79/03/192217903.db2.gz BQQDMGVWZBSGHM-SECBINFHSA-N 2 1 218.297 -0.297 20 0 BBADMP COC(=O)[C@@H](C)C[N@@H+](C)CCOCC[NH3+] ZINC000420353398 192218313 /nfs/dbraw/zinc/21/83/13/192218313.db2.gz BQQDMGVWZBSGHM-VIFPVBQESA-N 2 1 218.297 -0.297 20 0 BBADMP COC(=O)[C@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000420353680 192218138 /nfs/dbraw/zinc/21/81/38/192218138.db2.gz BUBXIBWSGVDDKR-JTQLQIEISA-N 2 1 230.308 -0.153 20 0 BBADMP COC(=O)[C@@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000420353681 192217548 /nfs/dbraw/zinc/21/75/48/192217548.db2.gz BUBXIBWSGVDDKR-SNVBAGLBSA-N 2 1 230.308 -0.153 20 0 BBADMP CC(C)C[C@@H]1C(=O)NCC[N@@H+]1CCOCC[NH3+] ZINC000420361850 192222887 /nfs/dbraw/zinc/22/28/87/192222887.db2.gz NOTOFGMKLIMHFX-LLVKDONJSA-N 2 1 243.351 -0.192 20 0 BBADMP CC(C)C[C@@H]1C(=O)NCC[N@H+]1CCOCC[NH3+] ZINC000420361850 192222885 /nfs/dbraw/zinc/22/28/85/192222885.db2.gz NOTOFGMKLIMHFX-LLVKDONJSA-N 2 1 243.351 -0.192 20 0 BBADMP CC(C)C[C@H]1C(=O)NCC[N@@H+]1CCOCC[NH3+] ZINC000420361852 192222604 /nfs/dbraw/zinc/22/26/04/192222604.db2.gz NOTOFGMKLIMHFX-NSHDSACASA-N 2 1 243.351 -0.192 20 0 BBADMP CC(C)C[C@H]1C(=O)NCC[N@H+]1CCOCC[NH3+] ZINC000420361852 192222602 /nfs/dbraw/zinc/22/26/02/192222602.db2.gz NOTOFGMKLIMHFX-NSHDSACASA-N 2 1 243.351 -0.192 20 0 BBADMP COC(=O)[C@@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000420362350 192221766 /nfs/dbraw/zinc/22/17/66/192221766.db2.gz NZRTYZMQFVUUAS-JTQLQIEISA-N 2 1 230.308 -0.011 20 0 BBADMP COC(=O)[C@@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000420362350 192221764 /nfs/dbraw/zinc/22/17/64/192221764.db2.gz NZRTYZMQFVUUAS-JTQLQIEISA-N 2 1 230.308 -0.011 20 0 BBADMP COC(=O)[C@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000420362351 192221460 /nfs/dbraw/zinc/22/14/60/192221460.db2.gz NZRTYZMQFVUUAS-SNVBAGLBSA-N 2 1 230.308 -0.011 20 0 BBADMP COC(=O)[C@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000420362351 192221458 /nfs/dbraw/zinc/22/14/58/192221458.db2.gz NZRTYZMQFVUUAS-SNVBAGLBSA-N 2 1 230.308 -0.011 20 0 BBADMP CCC[C@H]1C(=O)NCC[N@@H+]1CCOCC[NH3+] ZINC000420363618 192223507 /nfs/dbraw/zinc/22/35/07/192223507.db2.gz PNXKWBGQJCLFKB-JTQLQIEISA-N 2 1 229.324 -0.438 20 0 BBADMP CCC[C@H]1C(=O)NCC[N@H+]1CCOCC[NH3+] ZINC000420363618 192223505 /nfs/dbraw/zinc/22/35/05/192223505.db2.gz PNXKWBGQJCLFKB-JTQLQIEISA-N 2 1 229.324 -0.438 20 0 BBADMP CCC[C@@H]1C(=O)NCC[N@@H+]1CCOCC[NH3+] ZINC000420363627 192224602 /nfs/dbraw/zinc/22/46/02/192224602.db2.gz PNXKWBGQJCLFKB-SNVBAGLBSA-N 2 1 229.324 -0.438 20 0 BBADMP CCC[C@@H]1C(=O)NCC[N@H+]1CCOCC[NH3+] ZINC000420363627 192224600 /nfs/dbraw/zinc/22/46/00/192224600.db2.gz PNXKWBGQJCLFKB-SNVBAGLBSA-N 2 1 229.324 -0.438 20 0 BBADMP CCOC(=O)[C@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000420365333 192223267 /nfs/dbraw/zinc/22/32/67/192223267.db2.gz RWCACFHCQXQPAR-SNVBAGLBSA-N 2 1 230.308 -0.011 20 0 BBADMP CCOC(=O)[C@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000420365333 192223265 /nfs/dbraw/zinc/22/32/65/192223265.db2.gz RWCACFHCQXQPAR-SNVBAGLBSA-N 2 1 230.308 -0.011 20 0 BBADMP COC(=O)C[C@@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000420368936 192226277 /nfs/dbraw/zinc/22/62/77/192226277.db2.gz XACFQOCIYZAYBQ-JTQLQIEISA-N 2 1 230.308 -0.011 20 0 BBADMP COC(=O)C[C@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000420368937 192226055 /nfs/dbraw/zinc/22/60/55/192226055.db2.gz XACFQOCIYZAYBQ-SNVBAGLBSA-N 2 1 230.308 -0.011 20 0 BBADMP CCC[C@]1(C)C(=O)NCC[N@@H+]1CCOCC[NH3+] ZINC000420370099 192228575 /nfs/dbraw/zinc/22/85/75/192228575.db2.gz YLTUMPPFMYLAPW-GFCCVEGCSA-N 2 1 243.351 -0.048 20 0 BBADMP CCC[C@]1(C)C(=O)NCC[N@H+]1CCOCC[NH3+] ZINC000420370099 192228572 /nfs/dbraw/zinc/22/85/72/192228572.db2.gz YLTUMPPFMYLAPW-GFCCVEGCSA-N 2 1 243.351 -0.048 20 0 BBADMP CCC[C@@]1(C)C(=O)NCC[N@@H+]1CCOCC[NH3+] ZINC000420370100 192227607 /nfs/dbraw/zinc/22/76/07/192227607.db2.gz YLTUMPPFMYLAPW-LBPRGKRZSA-N 2 1 243.351 -0.048 20 0 BBADMP CCC[C@@]1(C)C(=O)NCC[N@H+]1CCOCC[NH3+] ZINC000420370100 192227604 /nfs/dbraw/zinc/22/76/04/192227604.db2.gz YLTUMPPFMYLAPW-LBPRGKRZSA-N 2 1 243.351 -0.048 20 0 BBADMP CC[NH+]1CCN(C(=O)[C@@H](C)N(C)CC[NH3+])CC1 ZINC000420370728 192226759 /nfs/dbraw/zinc/22/67/59/192226759.db2.gz CUKBLSAKKBRGEI-LLVKDONJSA-N 2 1 242.367 -0.571 20 0 BBADMP CC[NH+]1CCN(C(=O)[C@H](C)N(C)CC[NH3+])CC1 ZINC000420370737 192226924 /nfs/dbraw/zinc/22/69/24/192226924.db2.gz CUKBLSAKKBRGEI-NSHDSACASA-N 2 1 242.367 -0.571 20 0 BBADMP CCCN1CCC[N@@H+](CCOCC[NH3+])CC1=O ZINC000420372120 192230211 /nfs/dbraw/zinc/23/02/11/192230211.db2.gz LBPSUXHSLSVXLY-UHFFFAOYSA-N 2 1 243.351 -0.094 20 0 BBADMP CCCN1CCC[N@H+](CCOCC[NH3+])CC1=O ZINC000420372120 192230209 /nfs/dbraw/zinc/23/02/09/192230209.db2.gz LBPSUXHSLSVXLY-UHFFFAOYSA-N 2 1 243.351 -0.094 20 0 BBADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000420372250 192230074 /nfs/dbraw/zinc/23/00/74/192230074.db2.gz QDTIDIACZDRESE-AGIUHOORSA-N 3 1 240.395 -0.132 20 0 BBADMP C[C@@H]1CCN[C@@H](C)[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000420372250 192230072 /nfs/dbraw/zinc/23/00/72/192230072.db2.gz QDTIDIACZDRESE-AGIUHOORSA-N 2 1 240.395 -0.132 20 0 BBADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000420372251 192229184 /nfs/dbraw/zinc/22/91/84/192229184.db2.gz QDTIDIACZDRESE-FRRDWIJNSA-N 3 1 240.395 -0.132 20 0 BBADMP C[C@@H]1CCN[C@@H](C)[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000420372251 192229182 /nfs/dbraw/zinc/22/91/82/192229182.db2.gz QDTIDIACZDRESE-FRRDWIJNSA-N 2 1 240.395 -0.132 20 0 BBADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000420372252 192230302 /nfs/dbraw/zinc/23/03/02/192230302.db2.gz QDTIDIACZDRESE-JHJVBQTASA-N 3 1 240.395 -0.132 20 0 BBADMP C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000420372252 192230299 /nfs/dbraw/zinc/23/02/99/192230299.db2.gz QDTIDIACZDRESE-JHJVBQTASA-N 2 1 240.395 -0.132 20 0 BBADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000420372253 192229009 /nfs/dbraw/zinc/22/90/09/192229009.db2.gz QDTIDIACZDRESE-UPJWGTAASA-N 3 1 240.395 -0.132 20 0 BBADMP C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000420372253 192229006 /nfs/dbraw/zinc/22/90/06/192229006.db2.gz QDTIDIACZDRESE-UPJWGTAASA-N 2 1 240.395 -0.132 20 0 BBADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCOCC[NH3+] ZINC000420374407 192231774 /nfs/dbraw/zinc/23/17/74/192231774.db2.gz RXFSKCNCRBABIS-GMTAPVOTSA-N 3 1 215.341 -0.062 20 0 BBADMP C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]CCOCC[NH3+] ZINC000420374407 192231771 /nfs/dbraw/zinc/23/17/71/192231771.db2.gz RXFSKCNCRBABIS-GMTAPVOTSA-N 2 1 215.341 -0.062 20 0 BBADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCOCC[NH3+] ZINC000420374408 192232019 /nfs/dbraw/zinc/23/20/19/192232019.db2.gz RXFSKCNCRBABIS-MXWKQRLJSA-N 3 1 215.341 -0.062 20 0 BBADMP C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]CCOCC[NH3+] ZINC000420374408 192232017 /nfs/dbraw/zinc/23/20/17/192232017.db2.gz RXFSKCNCRBABIS-MXWKQRLJSA-N 2 1 215.341 -0.062 20 0 BBADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCOCC[NH3+] ZINC000420374409 192232458 /nfs/dbraw/zinc/23/24/58/192232458.db2.gz RXFSKCNCRBABIS-OUAUKWLOSA-N 3 1 215.341 -0.062 20 0 BBADMP C[C@@H]1CCN[C@@H](C)[C@@H]1[NH2+]CCOCC[NH3+] ZINC000420374409 192232455 /nfs/dbraw/zinc/23/24/55/192232455.db2.gz RXFSKCNCRBABIS-OUAUKWLOSA-N 2 1 215.341 -0.062 20 0 BBADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCOCC[NH3+] ZINC000420374410 192232313 /nfs/dbraw/zinc/23/23/13/192232313.db2.gz RXFSKCNCRBABIS-VWYCJHECSA-N 3 1 215.341 -0.062 20 0 BBADMP C[C@@H]1CCN[C@@H](C)[C@H]1[NH2+]CCOCC[NH3+] ZINC000420374410 192232312 /nfs/dbraw/zinc/23/23/12/192232312.db2.gz RXFSKCNCRBABIS-VWYCJHECSA-N 2 1 215.341 -0.062 20 0 BBADMP C[C@H]1C[N@@H+](CCN(C)CC[NH3+])CCO1 ZINC000420381316 192234027 /nfs/dbraw/zinc/23/40/27/192234027.db2.gz ORUWVXGIIIRZDW-JTQLQIEISA-N 2 1 201.314 -0.402 20 0 BBADMP C[C@H]1C[N@H+](CCN(C)CC[NH3+])CCO1 ZINC000420381316 192234025 /nfs/dbraw/zinc/23/40/25/192234025.db2.gz ORUWVXGIIIRZDW-JTQLQIEISA-N 2 1 201.314 -0.402 20 0 BBADMP C[C@@H]1C[N@@H+](CCN(C)CC[NH3+])CCO1 ZINC000420381317 192235079 /nfs/dbraw/zinc/23/50/79/192235079.db2.gz ORUWVXGIIIRZDW-SNVBAGLBSA-N 2 1 201.314 -0.402 20 0 BBADMP C[C@@H]1C[N@H+](CCN(C)CC[NH3+])CCO1 ZINC000420381317 192235076 /nfs/dbraw/zinc/23/50/76/192235076.db2.gz ORUWVXGIIIRZDW-SNVBAGLBSA-N 2 1 201.314 -0.402 20 0 BBADMP CN(CC[NH3+])CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000420384053 192234753 /nfs/dbraw/zinc/23/47/53/192234753.db2.gz RDXBPFVZCBEIGZ-PHIMTYICSA-N 2 1 213.325 -0.260 20 0 BBADMP CN(CC[NH3+])CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000420384053 192234751 /nfs/dbraw/zinc/23/47/51/192234751.db2.gz RDXBPFVZCBEIGZ-PHIMTYICSA-N 2 1 213.325 -0.260 20 0 BBADMP C[C@@H](C[NH+]1CCOCC1)N(C)CC[NH3+] ZINC000420385575 192235816 /nfs/dbraw/zinc/23/58/16/192235816.db2.gz TWUWUGALHLWLAU-JTQLQIEISA-N 2 1 201.314 -0.402 20 0 BBADMP C[C@H](C[NH+]1CCOCC1)N(C)CC[NH3+] ZINC000420385576 192234972 /nfs/dbraw/zinc/23/49/72/192234972.db2.gz TWUWUGALHLWLAU-SNVBAGLBSA-N 2 1 201.314 -0.402 20 0 BBADMP C[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000420391789 192236616 /nfs/dbraw/zinc/23/66/16/192236616.db2.gz AZTAOVQYDVVVCP-NXEZZACHSA-N 2 1 249.380 -0.548 20 0 BBADMP C[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000420391789 192236615 /nfs/dbraw/zinc/23/66/15/192236615.db2.gz AZTAOVQYDVVVCP-NXEZZACHSA-N 2 1 249.380 -0.548 20 0 BBADMP C[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@@H]1C[NH3+] ZINC000420391791 192237059 /nfs/dbraw/zinc/23/70/59/192237059.db2.gz AZTAOVQYDVVVCP-UWVGGRQHSA-N 2 1 249.380 -0.548 20 0 BBADMP C[C@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@@H]1C[NH3+] ZINC000420391791 192237058 /nfs/dbraw/zinc/23/70/58/192237058.db2.gz AZTAOVQYDVVVCP-UWVGGRQHSA-N 2 1 249.380 -0.548 20 0 BBADMP C[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000420391793 192236844 /nfs/dbraw/zinc/23/68/44/192236844.db2.gz AZTAOVQYDVVVCP-VHSXEESVSA-N 2 1 249.380 -0.548 20 0 BBADMP C[C@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000420391793 192236842 /nfs/dbraw/zinc/23/68/42/192236842.db2.gz AZTAOVQYDVVVCP-VHSXEESVSA-N 2 1 249.380 -0.548 20 0 BBADMP C[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@@H]1C[NH3+] ZINC000420391794 192237322 /nfs/dbraw/zinc/23/73/22/192237322.db2.gz AZTAOVQYDVVVCP-ZJUUUORDSA-N 2 1 249.380 -0.548 20 0 BBADMP C[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@@H]1C[NH3+] ZINC000420391794 192237320 /nfs/dbraw/zinc/23/73/20/192237320.db2.gz AZTAOVQYDVVVCP-ZJUUUORDSA-N 2 1 249.380 -0.548 20 0 BBADMP C[C@@H]1CC[N@@H+](CCOCC[NH3+])C[C@H]1C[NH3+] ZINC000420409210 192239900 /nfs/dbraw/zinc/23/99/00/192239900.db2.gz QIKCXPBUTDBAPJ-GHMZBOCLSA-N 3 1 215.341 -0.122 20 0 BBADMP C[C@@H]1CC[N@@H+](CCOCC[NH3+])C[C@@H]1C[NH3+] ZINC000420409213 388000273 /nfs/dbraw/zinc/00/02/73/388000273.db2.gz QIKCXPBUTDBAPJ-MNOVXSKESA-N 3 1 215.341 -0.122 20 0 BBADMP C[C@H]1CC[N@@H+](CCOCC[NH3+])C[C@@H]1C[NH3+] ZINC000420409216 192239034 /nfs/dbraw/zinc/23/90/34/192239034.db2.gz QIKCXPBUTDBAPJ-QWRGUYRKSA-N 3 1 215.341 -0.122 20 0 BBADMP C[C@H]1CC[N@@H+](CCOCC[NH3+])C[C@H]1C[NH3+] ZINC000420409218 387998922 /nfs/dbraw/zinc/99/89/22/387998922.db2.gz QIKCXPBUTDBAPJ-WDEREUQCSA-N 3 1 215.341 -0.122 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000422534509 387594894 /nfs/dbraw/zinc/59/48/94/387594894.db2.gz AWJMBFCJYAHMCU-SSDOTTSWSA-N 2 1 221.251 -0.176 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000422534510 387595327 /nfs/dbraw/zinc/59/53/27/387595327.db2.gz AWJMBFCJYAHMCU-ZETCQYMHSA-N 2 1 221.251 -0.176 20 0 BBADMP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCC[NH+](C)C ZINC000422747506 387650447 /nfs/dbraw/zinc/65/04/47/387650447.db2.gz QFKRNLDQYBSKOP-GHMZBOCLSA-N 2 1 243.351 -0.179 20 0 BBADMP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCC[NH+](C)C ZINC000422747507 387650844 /nfs/dbraw/zinc/65/08/44/387650844.db2.gz QFKRNLDQYBSKOP-MNOVXSKESA-N 2 1 243.351 -0.179 20 0 BBADMP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCC[NH+](C)C ZINC000422747508 387650557 /nfs/dbraw/zinc/65/05/57/387650557.db2.gz QFKRNLDQYBSKOP-QWRGUYRKSA-N 2 1 243.351 -0.179 20 0 BBADMP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCC[NH+](C)C ZINC000422747509 387651691 /nfs/dbraw/zinc/65/16/91/387651691.db2.gz QFKRNLDQYBSKOP-WDEREUQCSA-N 2 1 243.351 -0.179 20 0 BBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H](C)[NH3+])C1 ZINC000422782840 387681331 /nfs/dbraw/zinc/68/13/31/387681331.db2.gz NJSMMJJHRTUVFM-GHMZBOCLSA-N 2 1 243.351 -0.051 20 0 BBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[C@@H](C)[NH3+])C1 ZINC000422782841 387680744 /nfs/dbraw/zinc/68/07/44/387680744.db2.gz NJSMMJJHRTUVFM-MNOVXSKESA-N 2 1 243.351 -0.051 20 0 BBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[C@H](C)[NH3+])C1 ZINC000422782842 387681345 /nfs/dbraw/zinc/68/13/45/387681345.db2.gz NJSMMJJHRTUVFM-QWRGUYRKSA-N 2 1 243.351 -0.051 20 0 BBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[C@H](C)[NH3+])C1 ZINC000422782843 192466101 /nfs/dbraw/zinc/46/61/01/192466101.db2.gz NJSMMJJHRTUVFM-WDEREUQCSA-N 2 1 243.351 -0.051 20 0 BBADMP CC[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000422788776 387732846 /nfs/dbraw/zinc/73/28/46/387732846.db2.gz RLWNBEALYHJXMD-LLVKDONJSA-N 2 1 243.351 -0.179 20 0 BBADMP CC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000422788777 387732712 /nfs/dbraw/zinc/73/27/12/387732712.db2.gz RLWNBEALYHJXMD-NSHDSACASA-N 2 1 243.351 -0.179 20 0 BBADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC(C)(C)C[NH3+])C1 ZINC000422798906 387698228 /nfs/dbraw/zinc/69/82/28/387698228.db2.gz UEIDHNVJXYCFJG-JTQLQIEISA-N 2 1 243.351 -0.051 20 0 BBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)NC(C)(C)C[NH3+])C1 ZINC000422798906 387698224 /nfs/dbraw/zinc/69/82/24/387698224.db2.gz UEIDHNVJXYCFJG-JTQLQIEISA-N 2 1 243.351 -0.051 20 0 BBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC(C)(C)C[NH3+])C1 ZINC000422798907 387700215 /nfs/dbraw/zinc/70/02/15/387700215.db2.gz UEIDHNVJXYCFJG-SNVBAGLBSA-N 2 1 243.351 -0.051 20 0 BBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC(C)(C)C[NH3+])C1 ZINC000422798907 387700207 /nfs/dbraw/zinc/70/02/07/387700207.db2.gz UEIDHNVJXYCFJG-SNVBAGLBSA-N 2 1 243.351 -0.051 20 0 BBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000422837934 387729863 /nfs/dbraw/zinc/72/98/63/387729863.db2.gz VUEVJMGUTRYCSY-GHMZBOCLSA-N 2 1 243.351 -0.099 20 0 BBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000422837934 387729859 /nfs/dbraw/zinc/72/98/59/387729859.db2.gz VUEVJMGUTRYCSY-GHMZBOCLSA-N 2 1 243.351 -0.099 20 0 BBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000422837935 387729134 /nfs/dbraw/zinc/72/91/34/387729134.db2.gz VUEVJMGUTRYCSY-MNOVXSKESA-N 2 1 243.351 -0.099 20 0 BBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000422837935 387729130 /nfs/dbraw/zinc/72/91/30/387729130.db2.gz VUEVJMGUTRYCSY-MNOVXSKESA-N 2 1 243.351 -0.099 20 0 BBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000422837936 387728771 /nfs/dbraw/zinc/72/87/71/387728771.db2.gz VUEVJMGUTRYCSY-QWRGUYRKSA-N 2 1 243.351 -0.099 20 0 BBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000422837936 387728766 /nfs/dbraw/zinc/72/87/66/387728766.db2.gz VUEVJMGUTRYCSY-QWRGUYRKSA-N 2 1 243.351 -0.099 20 0 BBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000422837937 387729739 /nfs/dbraw/zinc/72/97/39/387729739.db2.gz VUEVJMGUTRYCSY-WDEREUQCSA-N 2 1 243.351 -0.099 20 0 BBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000422837937 387729736 /nfs/dbraw/zinc/72/97/36/387729736.db2.gz VUEVJMGUTRYCSY-WDEREUQCSA-N 2 1 243.351 -0.099 20 0 BBADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC(C)(C)[NH3+])C1 ZINC000422874245 387751935 /nfs/dbraw/zinc/75/19/35/387751935.db2.gz CKRCAUKOALMWSD-JTQLQIEISA-N 2 1 243.351 -0.051 20 0 BBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC(C)(C)[NH3+])C1 ZINC000422874246 387752736 /nfs/dbraw/zinc/75/27/36/387752736.db2.gz CKRCAUKOALMWSD-SNVBAGLBSA-N 2 1 243.351 -0.051 20 0 BBADMP C[C@@H]1CC[NH2+]C[C@H]1NCCCN1CC[NH2+]CC1 ZINC000423193560 411238270 /nfs/dbraw/zinc/23/82/70/411238270.db2.gz WYQQZALNYRIEBP-CHWSQXEVSA-N 2 1 240.395 -0.131 20 0 BBADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423193560 411238269 /nfs/dbraw/zinc/23/82/69/411238269.db2.gz WYQQZALNYRIEBP-CHWSQXEVSA-N 3 1 240.395 -0.131 20 0 BBADMP C[C@@H]1CC[NH2+]C[C@@H]1NCCCN1CC[NH2+]CC1 ZINC000423193561 411238212 /nfs/dbraw/zinc/23/82/12/411238212.db2.gz WYQQZALNYRIEBP-OLZOCXBDSA-N 2 1 240.395 -0.131 20 0 BBADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423193561 411238208 /nfs/dbraw/zinc/23/82/08/411238208.db2.gz WYQQZALNYRIEBP-OLZOCXBDSA-N 3 1 240.395 -0.131 20 0 BBADMP C[C@H]1CC[NH2+]C[C@H]1NCCCN1CC[NH2+]CC1 ZINC000423193562 411237930 /nfs/dbraw/zinc/23/79/30/411237930.db2.gz WYQQZALNYRIEBP-QWHCGFSZSA-N 2 1 240.395 -0.131 20 0 BBADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423193562 411237925 /nfs/dbraw/zinc/23/79/25/411237925.db2.gz WYQQZALNYRIEBP-QWHCGFSZSA-N 3 1 240.395 -0.131 20 0 BBADMP C[C@H]1CC[NH2+]C[C@@H]1NCCCN1CC[NH2+]CC1 ZINC000423193563 411238293 /nfs/dbraw/zinc/23/82/93/411238293.db2.gz WYQQZALNYRIEBP-STQMWFEESA-N 2 1 240.395 -0.131 20 0 BBADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423193563 411238290 /nfs/dbraw/zinc/23/82/90/411238290.db2.gz WYQQZALNYRIEBP-STQMWFEESA-N 3 1 240.395 -0.131 20 0 BBADMP C[C@@H]1CCNC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423200159 387986197 /nfs/dbraw/zinc/98/61/97/387986197.db2.gz DQAUDXMEHRAWST-NEPJUHHUSA-N 2 1 226.368 -0.521 20 0 BBADMP C[C@H]1CCNC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423200160 387986598 /nfs/dbraw/zinc/98/65/98/387986598.db2.gz DQAUDXMEHRAWST-NWDGAFQWSA-N 2 1 226.368 -0.521 20 0 BBADMP C[C@H]1CCNC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423200161 387986785 /nfs/dbraw/zinc/98/67/85/387986785.db2.gz DQAUDXMEHRAWST-RYUDHWBXSA-N 2 1 226.368 -0.521 20 0 BBADMP C[C@@H]1CCNC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423200162 387986633 /nfs/dbraw/zinc/98/66/33/387986633.db2.gz DQAUDXMEHRAWST-VXGBXAGGSA-N 2 1 226.368 -0.521 20 0 BBADMP CC[NH2+]CCN[C@@H]1CC[N@@H+](CCOC)C1 ZINC000423237712 388021578 /nfs/dbraw/zinc/02/15/78/388021578.db2.gz DPFHFBXOXXYQEU-LLVKDONJSA-N 2 1 215.341 -0.094 20 0 BBADMP CC[NH2+]CCN[C@H]1CC[N@@H+](CCOC)C1 ZINC000423237714 388020488 /nfs/dbraw/zinc/02/04/88/388020488.db2.gz DPFHFBXOXXYQEU-NSHDSACASA-N 2 1 215.341 -0.094 20 0 BBADMP COCC[NH2+]CCN[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000423331079 387174683 /nfs/dbraw/zinc/17/46/83/387174683.db2.gz MKFUGRDZCZLKKP-GHMZBOCLSA-N 2 1 215.341 -0.238 20 0 BBADMP COCC[NH2+]CCN[C@H]1C[N@@H+](C)C[C@H]1C ZINC000423331085 192712274 /nfs/dbraw/zinc/71/22/74/192712274.db2.gz MKFUGRDZCZLKKP-MNOVXSKESA-N 2 1 215.341 -0.238 20 0 BBADMP COCC[NH2+]CCN[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000423331087 387176213 /nfs/dbraw/zinc/17/62/13/387176213.db2.gz MKFUGRDZCZLKKP-QWRGUYRKSA-N 2 1 215.341 -0.238 20 0 BBADMP COCC[NH2+]CCN[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000423331089 387176602 /nfs/dbraw/zinc/17/66/02/387176602.db2.gz MKFUGRDZCZLKKP-WDEREUQCSA-N 2 1 215.341 -0.238 20 0 BBADMP [NH3+]CC(F)(F)CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423331191 387175039 /nfs/dbraw/zinc/17/50/39/387175039.db2.gz CNFLDKBKXSURFT-NXEZZACHSA-N 2 1 249.305 -0.063 20 0 BBADMP [NH3+]CC(F)(F)CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423331202 387175286 /nfs/dbraw/zinc/17/52/86/387175286.db2.gz CNFLDKBKXSURFT-UWVGGRQHSA-N 2 1 249.305 -0.063 20 0 BBADMP [NH3+]CC(F)(F)CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423331203 387175493 /nfs/dbraw/zinc/17/54/93/387175493.db2.gz CNFLDKBKXSURFT-VHSXEESVSA-N 2 1 249.305 -0.063 20 0 BBADMP [NH3+]CC(F)(F)CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423331204 387176008 /nfs/dbraw/zinc/17/60/08/387176008.db2.gz CNFLDKBKXSURFT-ZJUUUORDSA-N 2 1 249.305 -0.063 20 0 BBADMP COCC[N@@H+](C)CCCNC(=O)C1(C)C[NH2+]C1 ZINC000423339343 387187792 /nfs/dbraw/zinc/18/77/92/387187792.db2.gz WKTGOVGAPIFKET-UHFFFAOYSA-N 2 1 243.351 -0.320 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)C2(C)C[NH2+]C2)C1 ZINC000423388536 387272710 /nfs/dbraw/zinc/27/27/10/387272710.db2.gz UCTVLFLFUQDWPJ-JTQLQIEISA-N 2 1 241.335 -0.567 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC(=O)C2(C)C[NH2+]C2)C1 ZINC000423388537 387272976 /nfs/dbraw/zinc/27/29/76/387272976.db2.gz UCTVLFLFUQDWPJ-SNVBAGLBSA-N 2 1 241.335 -0.567 20 0 BBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423406230 387244535 /nfs/dbraw/zinc/24/45/35/387244535.db2.gz KHEQUJLMKNNVJE-FOGDFJRCSA-N 2 1 223.320 -0.099 20 0 BBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423406230 387244531 /nfs/dbraw/zinc/24/45/31/387244531.db2.gz KHEQUJLMKNNVJE-FOGDFJRCSA-N 2 1 223.320 -0.099 20 0 BBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423406233 387242386 /nfs/dbraw/zinc/24/23/86/387242386.db2.gz KHEQUJLMKNNVJE-UMNHJUIQSA-N 2 1 223.320 -0.099 20 0 BBADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423406233 387242383 /nfs/dbraw/zinc/24/23/83/387242383.db2.gz KHEQUJLMKNNVJE-UMNHJUIQSA-N 2 1 223.320 -0.099 20 0 BBADMP COCCC[N@@H+](C)CCNC(=O)C1(C)C[NH2+]C1 ZINC000423429288 387253882 /nfs/dbraw/zinc/25/38/82/387253882.db2.gz SHRGNIDYGCGOPG-UHFFFAOYSA-N 2 1 243.351 -0.320 20 0 BBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)C[NH3+])C1 ZINC000423468330 387315867 /nfs/dbraw/zinc/31/58/67/387315867.db2.gz YGVNZODFWVBODT-GHMZBOCLSA-N 2 1 243.351 -0.193 20 0 BBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)C[NH3+])C1 ZINC000423468334 387314535 /nfs/dbraw/zinc/31/45/35/387314535.db2.gz YGVNZODFWVBODT-MNOVXSKESA-N 2 1 243.351 -0.193 20 0 BBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000423468336 387314309 /nfs/dbraw/zinc/31/43/09/387314309.db2.gz YGVNZODFWVBODT-QWRGUYRKSA-N 2 1 243.351 -0.193 20 0 BBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000423468339 387314888 /nfs/dbraw/zinc/31/48/88/387314888.db2.gz YGVNZODFWVBODT-WDEREUQCSA-N 2 1 243.351 -0.193 20 0 BBADMP CC[N@@H+]1C[C@H](NC[C@@H]2C[NH2+]CCN2C)[C@@H](C)C1 ZINC000423484678 387332130 /nfs/dbraw/zinc/33/21/30/387332130.db2.gz AHQIVPMZULXHNX-AVGNSLFASA-N 2 1 240.395 -0.180 20 0 BBADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@@H]2C[NH2+]CCN2C)C1 ZINC000423484682 387331280 /nfs/dbraw/zinc/33/12/80/387331280.db2.gz AHQIVPMZULXHNX-RWMBFGLXSA-N 2 1 240.395 -0.180 20 0 BBADMP CC[N@@H+]1C[C@H](NC[C@H]2C[NH2+]CCN2C)[C@@H](C)C1 ZINC000423484684 387331834 /nfs/dbraw/zinc/33/18/34/387331834.db2.gz AHQIVPMZULXHNX-XQQFMLRXSA-N 2 1 240.395 -0.180 20 0 BBADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@H]2C[NH2+]CCN2C)C1 ZINC000423484687 387330779 /nfs/dbraw/zinc/33/07/79/387330779.db2.gz AHQIVPMZULXHNX-YNEHKIRRSA-N 2 1 240.395 -0.180 20 0 BBADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@H]2C[NH2+]CCO2)C1 ZINC000423526276 387356579 /nfs/dbraw/zinc/35/65/79/387356579.db2.gz QDHHYVCTGMMWPL-QJPTWQEYSA-N 2 1 227.352 -0.095 20 0 BBADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@@H]2C[NH2+]CCO2)C1 ZINC000423526285 387356399 /nfs/dbraw/zinc/35/63/99/387356399.db2.gz QDHHYVCTGMMWPL-SDDRHHMPSA-N 2 1 227.352 -0.095 20 0 BBADMP CC[N@@H+]1C[C@H](NC[C@@H]2C[NH2+]CCO2)[C@@H](C)C1 ZINC000423526287 387355989 /nfs/dbraw/zinc/35/59/89/387355989.db2.gz QDHHYVCTGMMWPL-SRVKXCTJSA-N 2 1 227.352 -0.095 20 0 BBADMP CC[N@@H+]1C[C@H](NC[C@H]2C[NH2+]CCO2)[C@@H](C)C1 ZINC000423526289 387355414 /nfs/dbraw/zinc/35/54/14/387355414.db2.gz QDHHYVCTGMMWPL-TUAOUCFPSA-N 2 1 227.352 -0.095 20 0 BBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CC[NH3+])C1 ZINC000423529211 387358984 /nfs/dbraw/zinc/35/89/84/387358984.db2.gz OESLAZUYNYTQDE-GHMZBOCLSA-N 2 1 243.351 -0.051 20 0 BBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CC[NH3+])C1 ZINC000423529211 387358978 /nfs/dbraw/zinc/35/89/78/387358978.db2.gz OESLAZUYNYTQDE-GHMZBOCLSA-N 2 1 243.351 -0.051 20 0 BBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CC[NH3+])C1 ZINC000423529212 387358720 /nfs/dbraw/zinc/35/87/20/387358720.db2.gz OESLAZUYNYTQDE-MNOVXSKESA-N 2 1 243.351 -0.051 20 0 BBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H](C)CC[NH3+])C1 ZINC000423529212 387358719 /nfs/dbraw/zinc/35/87/19/387358719.db2.gz OESLAZUYNYTQDE-MNOVXSKESA-N 2 1 243.351 -0.051 20 0 BBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000423529213 387358897 /nfs/dbraw/zinc/35/88/97/387358897.db2.gz OESLAZUYNYTQDE-QWRGUYRKSA-N 2 1 243.351 -0.051 20 0 BBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000423529213 387358893 /nfs/dbraw/zinc/35/88/93/387358893.db2.gz OESLAZUYNYTQDE-QWRGUYRKSA-N 2 1 243.351 -0.051 20 0 BBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000423529495 387359522 /nfs/dbraw/zinc/35/95/22/387359522.db2.gz OESLAZUYNYTQDE-WDEREUQCSA-N 2 1 243.351 -0.051 20 0 BBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000423529495 387359517 /nfs/dbraw/zinc/35/95/17/387359517.db2.gz OESLAZUYNYTQDE-WDEREUQCSA-N 2 1 243.351 -0.051 20 0 BBADMP CC1(C(=O)NCC(F)(F)C[NH3+])C[NH2+]C1 ZINC000423538708 387364752 /nfs/dbraw/zinc/36/47/52/387364752.db2.gz GYONNFFODYQVNJ-UHFFFAOYSA-N 2 1 207.224 -0.694 20 0 BBADMP C[NH2+][C@H](C)CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000423624278 387387429 /nfs/dbraw/zinc/38/74/29/387387429.db2.gz CUJQHJXKRPCEST-GHMZBOCLSA-N 2 1 243.351 -0.180 20 0 BBADMP C[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000423624281 387386396 /nfs/dbraw/zinc/38/63/96/387386396.db2.gz CUJQHJXKRPCEST-MNOVXSKESA-N 2 1 243.351 -0.180 20 0 BBADMP C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000423624284 387387843 /nfs/dbraw/zinc/38/78/43/387387843.db2.gz CUJQHJXKRPCEST-QWRGUYRKSA-N 2 1 243.351 -0.180 20 0 BBADMP C[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000423624287 387388255 /nfs/dbraw/zinc/38/82/55/387388255.db2.gz CUJQHJXKRPCEST-WDEREUQCSA-N 2 1 243.351 -0.180 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)C1 ZINC000423649816 387392191 /nfs/dbraw/zinc/39/21/91/387392191.db2.gz PWVCEFIUARDMOD-AXFHLTTASA-N 2 1 241.335 -0.345 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)C1 ZINC000423649816 387392184 /nfs/dbraw/zinc/39/21/84/387392184.db2.gz PWVCEFIUARDMOD-AXFHLTTASA-N 2 1 241.335 -0.345 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH3+])[C@@H]2C)C1 ZINC000423649818 387391282 /nfs/dbraw/zinc/39/12/82/387391282.db2.gz PWVCEFIUARDMOD-DCAQKATOSA-N 2 1 241.335 -0.345 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH3+])[C@@H]2C)C1 ZINC000423649818 387391277 /nfs/dbraw/zinc/39/12/77/387391277.db2.gz PWVCEFIUARDMOD-DCAQKATOSA-N 2 1 241.335 -0.345 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH3+])[C@H]2C)C1 ZINC000423649820 387392029 /nfs/dbraw/zinc/39/20/29/387392029.db2.gz PWVCEFIUARDMOD-MXWKQRLJSA-N 2 1 241.335 -0.345 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH3+])[C@H]2C)C1 ZINC000423649820 387392022 /nfs/dbraw/zinc/39/20/22/387392022.db2.gz PWVCEFIUARDMOD-MXWKQRLJSA-N 2 1 241.335 -0.345 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH3+])[C@H]2C)C1 ZINC000423649822 387390826 /nfs/dbraw/zinc/39/08/26/387390826.db2.gz PWVCEFIUARDMOD-VWYCJHECSA-N 2 1 241.335 -0.345 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH3+])[C@H]2C)C1 ZINC000423649822 387390821 /nfs/dbraw/zinc/39/08/21/387390821.db2.gz PWVCEFIUARDMOD-VWYCJHECSA-N 2 1 241.335 -0.345 20 0 BBADMP CC[C@@H]([NH3+])CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000423675441 387395190 /nfs/dbraw/zinc/39/51/90/387395190.db2.gz HYRUWNBEOMFLCT-GHMZBOCLSA-N 2 1 243.351 -0.051 20 0 BBADMP CC[C@@H]([NH3+])CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000423675448 387395334 /nfs/dbraw/zinc/39/53/34/387395334.db2.gz HYRUWNBEOMFLCT-MNOVXSKESA-N 2 1 243.351 -0.051 20 0 BBADMP CC[C@H]([NH3+])CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000423675450 387395058 /nfs/dbraw/zinc/39/50/58/387395058.db2.gz HYRUWNBEOMFLCT-QWRGUYRKSA-N 2 1 243.351 -0.051 20 0 BBADMP CC[C@H]([NH3+])CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000423675451 387395048 /nfs/dbraw/zinc/39/50/48/387395048.db2.gz HYRUWNBEOMFLCT-WDEREUQCSA-N 2 1 243.351 -0.051 20 0 BBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H](C)[C@H](C)[NH3+])C1 ZINC000423677789 387395311 /nfs/dbraw/zinc/39/53/11/387395311.db2.gz KDMKAQKYYYLDEW-AXFHLTTASA-N 2 1 243.351 -0.053 20 0 BBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H](C)[C@H](C)[NH3+])C1 ZINC000423677789 387395308 /nfs/dbraw/zinc/39/53/08/387395308.db2.gz KDMKAQKYYYLDEW-AXFHLTTASA-N 2 1 243.351 -0.053 20 0 BBADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)[C@H](C)[NH3+])C1 ZINC000423677791 387395352 /nfs/dbraw/zinc/39/53/52/387395352.db2.gz KDMKAQKYYYLDEW-DCAQKATOSA-N 2 1 243.351 -0.053 20 0 BBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H](C)[C@H](C)[NH3+])C1 ZINC000423677791 387395348 /nfs/dbraw/zinc/39/53/48/387395348.db2.gz KDMKAQKYYYLDEW-DCAQKATOSA-N 2 1 243.351 -0.053 20 0 BBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)[C@H](C)[NH3+])C1 ZINC000423677792 192821910 /nfs/dbraw/zinc/82/19/10/192821910.db2.gz KDMKAQKYYYLDEW-GARJFASQSA-N 2 1 243.351 -0.053 20 0 BBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)[C@H](C)[NH3+])C1 ZINC000423677792 192821908 /nfs/dbraw/zinc/82/19/08/192821908.db2.gz KDMKAQKYYYLDEW-GARJFASQSA-N 2 1 243.351 -0.053 20 0 BBADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)[C@H](C)[NH3+])C1 ZINC000423677793 387394991 /nfs/dbraw/zinc/39/49/91/387394991.db2.gz KDMKAQKYYYLDEW-HBNTYKKESA-N 2 1 243.351 -0.053 20 0 BBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H](C)[C@H](C)[NH3+])C1 ZINC000423677793 387394988 /nfs/dbraw/zinc/39/49/88/387394988.db2.gz KDMKAQKYYYLDEW-HBNTYKKESA-N 2 1 243.351 -0.053 20 0 BBADMP C[C@H]([NH3+])C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423756173 387412015 /nfs/dbraw/zinc/41/20/15/387412015.db2.gz BAJKRAVDPNVNRG-AXFHLTTASA-N 2 1 243.351 -0.099 20 0 BBADMP C[C@H]([NH3+])C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423756173 387412012 /nfs/dbraw/zinc/41/20/12/387412012.db2.gz BAJKRAVDPNVNRG-AXFHLTTASA-N 2 1 243.351 -0.099 20 0 BBADMP C[C@@H]([NH3+])C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423756174 387412043 /nfs/dbraw/zinc/41/20/43/387412043.db2.gz BAJKRAVDPNVNRG-OUAUKWLOSA-N 2 1 243.351 -0.099 20 0 BBADMP C[C@@H]([NH3+])C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423756174 387412039 /nfs/dbraw/zinc/41/20/39/387412039.db2.gz BAJKRAVDPNVNRG-OUAUKWLOSA-N 2 1 243.351 -0.099 20 0 BBADMP C[C@@H]1C[N@H+](CCN(C)C(=O)CC[NH3+])C[C@H](C)O1 ZINC000423760760 387413409 /nfs/dbraw/zinc/41/34/09/387413409.db2.gz KKKFUPOSJTZJLC-PHIMTYICSA-N 2 1 243.351 -0.097 20 0 BBADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)CC[NH3+])C[C@H](C)O1 ZINC000423760760 387413405 /nfs/dbraw/zinc/41/34/05/387413405.db2.gz KKKFUPOSJTZJLC-PHIMTYICSA-N 2 1 243.351 -0.097 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000423778304 387422427 /nfs/dbraw/zinc/42/24/27/387422427.db2.gz SQLRFLJWOHDKRY-GHMZBOCLSA-N 2 1 243.351 -0.241 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000423778306 387423188 /nfs/dbraw/zinc/42/31/88/387423188.db2.gz SQLRFLJWOHDKRY-MNOVXSKESA-N 2 1 243.351 -0.241 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000423778307 387422253 /nfs/dbraw/zinc/42/22/53/387422253.db2.gz SQLRFLJWOHDKRY-QWRGUYRKSA-N 2 1 243.351 -0.241 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000423778309 387421628 /nfs/dbraw/zinc/42/16/28/387421628.db2.gz SQLRFLJWOHDKRY-WDEREUQCSA-N 2 1 243.351 -0.241 20 0 BBADMP COCC[NH2+]CC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423837035 387435371 /nfs/dbraw/zinc/43/53/71/387435371.db2.gz ANEQZSYXXUJPIP-UHFFFAOYSA-N 2 1 243.351 -0.225 20 0 BBADMP CN(CC[N@@H+](C)C1CC1)C(=O)COC1C[NH2+]C1 ZINC000423843151 387435490 /nfs/dbraw/zinc/43/54/90/387435490.db2.gz HVSGBDBRITVGII-UHFFFAOYSA-N 2 1 241.335 -0.473 20 0 BBADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1COCC[NH2+]1 ZINC000423847988 387434244 /nfs/dbraw/zinc/43/42/44/387434244.db2.gz NSYSBGDCGAYBGP-LLVKDONJSA-N 2 1 241.335 -0.473 20 0 BBADMP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1COCC[NH2+]1 ZINC000423847988 387434237 /nfs/dbraw/zinc/43/42/37/387434237.db2.gz NSYSBGDCGAYBGP-LLVKDONJSA-N 2 1 241.335 -0.473 20 0 BBADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1COCC[NH2+]1 ZINC000423847990 387435582 /nfs/dbraw/zinc/43/55/82/387435582.db2.gz NSYSBGDCGAYBGP-NSHDSACASA-N 2 1 241.335 -0.473 20 0 BBADMP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1COCC[NH2+]1 ZINC000423847990 387435580 /nfs/dbraw/zinc/43/55/80/387435580.db2.gz NSYSBGDCGAYBGP-NSHDSACASA-N 2 1 241.335 -0.473 20 0 BBADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1CC[NH2+]1 ZINC000423855050 387438321 /nfs/dbraw/zinc/43/83/21/387438321.db2.gz WLUNJVHIMCHXOG-SNVBAGLBSA-N 2 1 211.309 -0.099 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H](C)[C@H]([NH3+])C2)C1 ZINC000423978100 387462905 /nfs/dbraw/zinc/46/29/05/387462905.db2.gz NXWBJGYRINGDMA-AXFHLTTASA-N 2 1 241.335 -0.487 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H](C)[C@H]([NH3+])C2)C1 ZINC000423978100 387462904 /nfs/dbraw/zinc/46/29/04/387462904.db2.gz NXWBJGYRINGDMA-AXFHLTTASA-N 2 1 241.335 -0.487 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000423978111 387462885 /nfs/dbraw/zinc/46/28/85/387462885.db2.gz NXWBJGYRINGDMA-DCAQKATOSA-N 2 1 241.335 -0.487 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000423978111 387462880 /nfs/dbraw/zinc/46/28/80/387462880.db2.gz NXWBJGYRINGDMA-DCAQKATOSA-N 2 1 241.335 -0.487 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000423978114 387462872 /nfs/dbraw/zinc/46/28/72/387462872.db2.gz NXWBJGYRINGDMA-MXWKQRLJSA-N 2 1 241.335 -0.487 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000423978114 387462869 /nfs/dbraw/zinc/46/28/69/387462869.db2.gz NXWBJGYRINGDMA-MXWKQRLJSA-N 2 1 241.335 -0.487 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)C1 ZINC000423978117 387461670 /nfs/dbraw/zinc/46/16/70/387461670.db2.gz NXWBJGYRINGDMA-VWYCJHECSA-N 2 1 241.335 -0.487 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)C1 ZINC000423978117 387461666 /nfs/dbraw/zinc/46/16/66/387461666.db2.gz NXWBJGYRINGDMA-VWYCJHECSA-N 2 1 241.335 -0.487 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH3+])[C@@H]2C)C1 ZINC000423979690 387462403 /nfs/dbraw/zinc/46/24/03/387462403.db2.gz PWVCEFIUARDMOD-GARJFASQSA-N 2 1 241.335 -0.345 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH3+])[C@@H]2C)C1 ZINC000423979690 387462398 /nfs/dbraw/zinc/46/23/98/387462398.db2.gz PWVCEFIUARDMOD-GARJFASQSA-N 2 1 241.335 -0.345 20 0 BBADMP CC(C)[N@H+]1CCO[C@H](C(=O)N(C)CC[NH3+])C1 ZINC000423993244 387461804 /nfs/dbraw/zinc/46/18/04/387461804.db2.gz AMJGLUMMHWGMSS-JTQLQIEISA-N 2 1 229.324 -0.487 20 0 BBADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH3+])C1 ZINC000423993245 387462976 /nfs/dbraw/zinc/46/29/76/387462976.db2.gz AMJGLUMMHWGMSS-SNVBAGLBSA-N 2 1 229.324 -0.487 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CCC[NH2+]C)C1 ZINC000424025662 387467986 /nfs/dbraw/zinc/46/79/86/387467986.db2.gz ZSDKARVYMUIBBE-LLVKDONJSA-N 2 1 243.351 -0.225 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCC[NH2+]C)C1 ZINC000424025662 387467982 /nfs/dbraw/zinc/46/79/82/387467982.db2.gz ZSDKARVYMUIBBE-LLVKDONJSA-N 2 1 243.351 -0.225 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CCC[NH2+]C)C1 ZINC000424025664 192854980 /nfs/dbraw/zinc/85/49/80/192854980.db2.gz ZSDKARVYMUIBBE-NSHDSACASA-N 2 1 243.351 -0.225 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CCC[NH2+]C)C1 ZINC000424025664 192854979 /nfs/dbraw/zinc/85/49/79/192854979.db2.gz ZSDKARVYMUIBBE-NSHDSACASA-N 2 1 243.351 -0.225 20 0 BBADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424042229 387469031 /nfs/dbraw/zinc/46/90/31/387469031.db2.gz AWRVNABTQRQZKE-WDEREUQCSA-N 2 1 241.335 -0.473 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424045221 387470924 /nfs/dbraw/zinc/47/09/24/387470924.db2.gz MMNAUIUNVUVVED-WDEREUQCSA-N 2 1 241.335 -0.474 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NC(C)(C)CC[NH3+])C1 ZINC000424045666 387470977 /nfs/dbraw/zinc/47/09/77/387470977.db2.gz ITRUHHORYHNDRZ-JTQLQIEISA-N 2 1 243.351 -0.049 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NC(C)(C)CC[NH3+])C1 ZINC000424045666 387470974 /nfs/dbraw/zinc/47/09/74/387470974.db2.gz ITRUHHORYHNDRZ-JTQLQIEISA-N 2 1 243.351 -0.049 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NC(C)(C)CC[NH3+])C1 ZINC000424045668 387470967 /nfs/dbraw/zinc/47/09/67/387470967.db2.gz ITRUHHORYHNDRZ-SNVBAGLBSA-N 2 1 243.351 -0.049 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC(C)(C)CC[NH3+])C1 ZINC000424045668 387470963 /nfs/dbraw/zinc/47/09/63/387470963.db2.gz ITRUHHORYHNDRZ-SNVBAGLBSA-N 2 1 243.351 -0.049 20 0 BBADMP COCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424127635 387603916 /nfs/dbraw/zinc/60/39/16/387603916.db2.gz BFRNPMZKCAIBLE-ZJUUUORDSA-N 2 1 227.308 -0.876 20 0 BBADMP [NH3+][C@@H]1C[C@@H]1C(=O)NCC[NH+]1CCSCC1 ZINC000424128561 387604467 /nfs/dbraw/zinc/60/44/67/387604467.db2.gz FQPPKJDHTPFYPF-DTWKUNHWSA-N 2 1 229.349 -0.501 20 0 BBADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424134876 387647970 /nfs/dbraw/zinc/64/79/70/387647970.db2.gz OFMNQTQDICADCU-ZJUUUORDSA-N 2 1 229.324 -0.582 20 0 BBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@H]1C ZINC000424136365 387660388 /nfs/dbraw/zinc/66/03/88/387660388.db2.gz ALPTZESPRGSADF-DBIOUOCHSA-N 2 1 241.335 -0.753 20 0 BBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@H]1C ZINC000424136365 387660383 /nfs/dbraw/zinc/66/03/83/387660383.db2.gz ALPTZESPRGSADF-DBIOUOCHSA-N 2 1 241.335 -0.753 20 0 BBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@@H]1C ZINC000424136367 387660803 /nfs/dbraw/zinc/66/08/03/387660803.db2.gz ALPTZESPRGSADF-MMWGEVLESA-N 2 1 241.335 -0.753 20 0 BBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@@H]1C ZINC000424136367 387660797 /nfs/dbraw/zinc/66/07/97/387660797.db2.gz ALPTZESPRGSADF-MMWGEVLESA-N 2 1 241.335 -0.753 20 0 BBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@H]1C ZINC000424136368 387659943 /nfs/dbraw/zinc/65/99/43/387659943.db2.gz ALPTZESPRGSADF-YTWAJWBKSA-N 2 1 241.335 -0.753 20 0 BBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@H]1C ZINC000424136368 387659940 /nfs/dbraw/zinc/65/99/40/387659940.db2.gz ALPTZESPRGSADF-YTWAJWBKSA-N 2 1 241.335 -0.753 20 0 BBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@@H]1C ZINC000424136370 200864710 /nfs/dbraw/zinc/86/47/10/200864710.db2.gz ALPTZESPRGSADF-ZDCRXTMVSA-N 2 1 241.335 -0.753 20 0 BBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@@H]1C ZINC000424136370 200864707 /nfs/dbraw/zinc/86/47/07/200864707.db2.gz ALPTZESPRGSADF-ZDCRXTMVSA-N 2 1 241.335 -0.753 20 0 BBADMP COCC[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@@H]1C ZINC000424136950 387662775 /nfs/dbraw/zinc/66/27/75/387662775.db2.gz BJLRVYUZMMGOOW-AXFHLTTASA-N 2 1 241.335 -0.487 20 0 BBADMP COCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@@H]1C ZINC000424136950 387662772 /nfs/dbraw/zinc/66/27/72/387662772.db2.gz BJLRVYUZMMGOOW-AXFHLTTASA-N 2 1 241.335 -0.487 20 0 BBADMP COCC[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@H]1C ZINC000424136952 387662548 /nfs/dbraw/zinc/66/25/48/387662548.db2.gz BJLRVYUZMMGOOW-MXWKQRLJSA-N 2 1 241.335 -0.487 20 0 BBADMP COCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@H]1C ZINC000424136952 387662543 /nfs/dbraw/zinc/66/25/43/387662543.db2.gz BJLRVYUZMMGOOW-MXWKQRLJSA-N 2 1 241.335 -0.487 20 0 BBADMP CCOCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424138356 387671698 /nfs/dbraw/zinc/67/16/98/387671698.db2.gz UGGDRJORHBYDNE-MNOVXSKESA-N 2 1 241.335 -0.486 20 0 BBADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424138542 387672508 /nfs/dbraw/zinc/67/25/08/387672508.db2.gz DEXCHPKUWBAZIR-ZJUUUORDSA-N 2 1 229.324 -0.582 20 0 BBADMP CN1CC[NH+](CCCNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424140234 387690238 /nfs/dbraw/zinc/69/02/38/387690238.db2.gz FBJGVFKIGDIUFN-MNOVXSKESA-N 2 1 240.351 -0.913 20 0 BBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424140862 387700795 /nfs/dbraw/zinc/70/07/95/387700795.db2.gz FUORHPYVIBWTQQ-CDEVMZEPSA-N 2 1 223.320 -0.068 20 0 BBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424140863 387699943 /nfs/dbraw/zinc/69/99/43/387699943.db2.gz FUORHPYVIBWTQQ-CZULRBLNSA-N 2 1 223.320 -0.068 20 0 BBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424140864 387700626 /nfs/dbraw/zinc/70/06/26/387700626.db2.gz FUORHPYVIBWTQQ-SNXWAXQRSA-N 2 1 223.320 -0.068 20 0 BBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424140865 387700903 /nfs/dbraw/zinc/70/09/03/387700903.db2.gz FUORHPYVIBWTQQ-VFRUTBLMSA-N 2 1 223.320 -0.068 20 0 BBADMP C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])CC[N@H+]1C ZINC000424143460 387753278 /nfs/dbraw/zinc/75/32/78/387753278.db2.gz JUWOFDLLZNGSIN-JLIMGVALSA-N 2 1 211.309 -0.068 20 0 BBADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])CC[N@H+]1C ZINC000424143461 387753366 /nfs/dbraw/zinc/75/33/66/387753366.db2.gz JUWOFDLLZNGSIN-KYXWUPHJSA-N 2 1 211.309 -0.068 20 0 BBADMP C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])CC[N@H+]1C ZINC000424143462 387752624 /nfs/dbraw/zinc/75/26/24/387752624.db2.gz JUWOFDLLZNGSIN-QEYWKRMJSA-N 2 1 211.309 -0.068 20 0 BBADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])CC[N@H+]1C ZINC000424143463 387752904 /nfs/dbraw/zinc/75/29/04/387752904.db2.gz JUWOFDLLZNGSIN-RGOKHQFPSA-N 2 1 211.309 -0.068 20 0 BBADMP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2C[C@@H]2[NH3+])n1C ZINC000424143950 387755207 /nfs/dbraw/zinc/75/52/07/387755207.db2.gz KJOXVUKDADCORI-BDAKNGLRSA-N 2 1 237.307 -0.551 20 0 BBADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424145710 387769024 /nfs/dbraw/zinc/76/90/24/387769024.db2.gz OHKCEMREEPTYKR-AXFHLTTASA-N 2 1 241.335 -0.439 20 0 BBADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424145712 387770074 /nfs/dbraw/zinc/77/00/74/387770074.db2.gz OHKCEMREEPTYKR-MXWKQRLJSA-N 2 1 241.335 -0.439 20 0 BBADMP CC[N@@H+](CCNC(=O)[C@@H]1C[C@@H]1[NH3+])C1CC1 ZINC000424155629 387820218 /nfs/dbraw/zinc/82/02/18/387820218.db2.gz NEOFLFWZFJNQAL-ZJUUUORDSA-N 2 1 211.309 -0.066 20 0 BBADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424156202 387822778 /nfs/dbraw/zinc/82/27/78/387822778.db2.gz OBBAOKZVCJZRSG-BDAKNGLRSA-N 2 1 208.265 -0.345 20 0 BBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424158143 387833501 /nfs/dbraw/zinc/83/35/01/387833501.db2.gz QPRXBPPJSPXHQM-AXFHLTTASA-N 2 1 241.335 -0.439 20 0 BBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424158145 387833332 /nfs/dbraw/zinc/83/33/32/387833332.db2.gz QPRXBPPJSPXHQM-MXWKQRLJSA-N 2 1 241.335 -0.439 20 0 BBADMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000424159552 387839459 /nfs/dbraw/zinc/83/94/59/387839459.db2.gz ACSVSOYHJUYYBJ-KOLCDFICSA-N 2 1 245.298 -0.865 20 0 BBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000424159557 387838993 /nfs/dbraw/zinc/83/89/93/387838993.db2.gz ACSVSOYHJUYYBJ-MWLCHTKSSA-N 2 1 245.298 -0.865 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424161820 387844647 /nfs/dbraw/zinc/84/46/47/387844647.db2.gz WDNFZSAQEFSXJW-AEJSXWLSSA-N 2 1 227.308 -0.830 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424161822 387843964 /nfs/dbraw/zinc/84/39/64/387843964.db2.gz WDNFZSAQEFSXJW-BBBLOLIVSA-N 2 1 227.308 -0.830 20 0 BBADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424163356 387845906 /nfs/dbraw/zinc/84/59/06/387845906.db2.gz DKSONNXEQBEKKP-KXUCPTDWSA-N 2 1 249.318 -0.760 20 0 BBADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424163357 387845733 /nfs/dbraw/zinc/84/57/33/387845733.db2.gz DKSONNXEQBEKKP-UTLUCORTSA-N 2 1 249.318 -0.760 20 0 BBADMP C[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[N@@H+](C)C1CC1 ZINC000424164261 387847807 /nfs/dbraw/zinc/84/78/07/387847807.db2.gz ZBFBNYNUERHWMW-QNSHHTMESA-N 2 1 211.309 -0.068 20 0 BBADMP C[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[N@@H+](C)C1CC1 ZINC000424164262 387848707 /nfs/dbraw/zinc/84/87/07/387848707.db2.gz ZBFBNYNUERHWMW-SFGNSQDASA-N 2 1 211.309 -0.068 20 0 BBADMP C[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])C[NH+]1CCOCC1 ZINC000424164521 387848965 /nfs/dbraw/zinc/84/89/65/387848965.db2.gz ZMXVXYGDJTWCDM-AXFHLTTASA-N 2 1 241.335 -0.582 20 0 BBADMP C[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])C[NH+]1CCOCC1 ZINC000424164522 387848055 /nfs/dbraw/zinc/84/80/55/387848055.db2.gz ZMXVXYGDJTWCDM-MXWKQRLJSA-N 2 1 241.335 -0.582 20 0 BBADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424164575 387849033 /nfs/dbraw/zinc/84/90/33/387849033.db2.gz CLZITCQICDJVCS-ZJUUUORDSA-N 2 1 211.309 -0.114 20 0 BBADMP CC[C@@H]([NH3+])CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000424168129 387856783 /nfs/dbraw/zinc/85/67/83/387856783.db2.gz IBJVIPQVYCBZOU-HLTSFMKQSA-N 2 1 215.297 -0.783 20 0 BBADMP CC[C@H]([NH3+])CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000424168130 200873191 /nfs/dbraw/zinc/87/31/91/200873191.db2.gz IBJVIPQVYCBZOU-VGMNWLOBSA-N 2 1 215.297 -0.783 20 0 BBADMP [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000424172053 487571430 /nfs/dbraw/zinc/57/14/30/487571430.db2.gz LDLYRJYPOLYGTF-AXFHLTTASA-N 2 1 241.335 -0.392 20 0 BBADMP [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000424172054 487571424 /nfs/dbraw/zinc/57/14/24/487571424.db2.gz LDLYRJYPOLYGTF-GMTAPVOTSA-N 2 1 241.335 -0.392 20 0 BBADMP [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000424172057 200874620 /nfs/dbraw/zinc/87/46/20/200874620.db2.gz LDLYRJYPOLYGTF-HBNTYKKESA-N 2 1 241.335 -0.392 20 0 BBADMP [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000424172059 387865465 /nfs/dbraw/zinc/86/54/65/387865465.db2.gz LDLYRJYPOLYGTF-MXWKQRLJSA-N 2 1 241.335 -0.392 20 0 BBADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000424172272 387865286 /nfs/dbraw/zinc/86/52/86/387865286.db2.gz LLKOSQOYDBRPCG-BGZDPUMWSA-N 2 1 215.297 -0.785 20 0 BBADMP C[C@@H](NC(=O)[C@H]1[NH2+]CCO[C@@H]1C)[C@H](C)[NH3+] ZINC000424172273 387865409 /nfs/dbraw/zinc/86/54/09/387865409.db2.gz LLKOSQOYDBRPCG-KDXUFGMBSA-N 2 1 215.297 -0.785 20 0 BBADMP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000424172274 387863953 /nfs/dbraw/zinc/86/39/53/387863953.db2.gz LLKOSQOYDBRPCG-MAUMQABQSA-N 2 1 215.297 -0.785 20 0 BBADMP C[C@@H]([NH3+])[C@H](C)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000424172275 200873199 /nfs/dbraw/zinc/87/31/99/200873199.db2.gz LLKOSQOYDBRPCG-XAVMHZPKSA-N 2 1 215.297 -0.785 20 0 BBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])[C@@H]2C1 ZINC000424174038 387873908 /nfs/dbraw/zinc/87/39/08/387873908.db2.gz NWXNWWMQYCNBDG-CHWFTXMASA-N 2 1 223.320 -0.114 20 0 BBADMP C[N@H+]1CC[C@H]2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])[C@H]2C1 ZINC000424174175 387866255 /nfs/dbraw/zinc/86/62/55/387866255.db2.gz NWXNWWMQYCNBDG-VLEAKVRGSA-N 2 1 223.320 -0.114 20 0 BBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])[C@H]2C1 ZINC000424174184 387866434 /nfs/dbraw/zinc/86/64/34/387866434.db2.gz NWXNWWMQYCNBDG-ZNSHCXBVSA-N 2 1 223.320 -0.114 20 0 BBADMP C[N@H+]1CC[C@H]2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])[C@@H]2C1 ZINC000424174193 387867488 /nfs/dbraw/zinc/86/74/88/387867488.db2.gz NWXNWWMQYCNBDG-ZRUFSTJUSA-N 2 1 223.320 -0.114 20 0 BBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424176163 387884739 /nfs/dbraw/zinc/88/47/39/387884739.db2.gz ONFKKKITUCXPRF-KHQFGBGNSA-N 2 1 215.272 -0.506 20 0 BBADMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424176191 387884543 /nfs/dbraw/zinc/88/45/43/387884543.db2.gz ONFKKKITUCXPRF-WEDXCCLWSA-N 2 1 215.272 -0.506 20 0 BBADMP [NH3+]CC[C@H](NC(=O)[C@@H]1COCC[NH2+]1)C(F)F ZINC000424180908 387892445 /nfs/dbraw/zinc/89/24/45/387892445.db2.gz WSMROHXVQGRQFA-BQBZGAKWSA-N 2 1 237.250 -0.927 20 0 BBADMP [NH3+]CC[C@H](NC(=O)[C@H]1COCC[NH2+]1)C(F)F ZINC000424180909 387893523 /nfs/dbraw/zinc/89/35/23/387893523.db2.gz WSMROHXVQGRQFA-NKWVEPMBSA-N 2 1 237.250 -0.927 20 0 BBADMP [NH3+]CC[C@@H](NC(=O)[C@H]1COCC[NH2+]1)C(F)F ZINC000424180910 387893654 /nfs/dbraw/zinc/89/36/54/387893654.db2.gz WSMROHXVQGRQFA-RNFRBKRXSA-N 2 1 237.250 -0.927 20 0 BBADMP [NH3+]CC[C@@H](NC(=O)[C@@H]1COCC[NH2+]1)C(F)F ZINC000424180911 387892271 /nfs/dbraw/zinc/89/22/71/387892271.db2.gz WSMROHXVQGRQFA-RQJHMYQMSA-N 2 1 237.250 -0.927 20 0 BBADMP C[C@@H](CCC[NH3+])NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000424181499 387895703 /nfs/dbraw/zinc/89/57/03/387895703.db2.gz XRCGCLJMDAQZFY-AEJSXWLSSA-N 2 1 229.324 -0.393 20 0 BBADMP C[C@H](CCC[NH3+])NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000424181500 387894952 /nfs/dbraw/zinc/89/49/52/387894952.db2.gz XRCGCLJMDAQZFY-BBBLOLIVSA-N 2 1 229.324 -0.393 20 0 BBADMP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000424182546 387897822 /nfs/dbraw/zinc/89/78/22/387897822.db2.gz ZRCMYYWLBQNRRS-QJPTWQEYSA-N 2 1 246.314 -0.098 20 0 BBADMP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000424182549 387897056 /nfs/dbraw/zinc/89/70/56/387897056.db2.gz ZRCMYYWLBQNRRS-TUAOUCFPSA-N 2 1 246.314 -0.098 20 0 BBADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000424188742 387911135 /nfs/dbraw/zinc/91/11/35/387911135.db2.gz CESZTYUOEAHDIV-JXUBOQSCSA-N 2 1 227.308 -0.689 20 0 BBADMP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[C@@H]1[NH3+] ZINC000424188846 387911848 /nfs/dbraw/zinc/91/18/48/387911848.db2.gz COGLPROSJGIGJI-IMSYWVGJSA-N 2 1 227.308 -0.831 20 0 BBADMP C[C@H]1CN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[C@H]1[NH3+] ZINC000424188847 387911159 /nfs/dbraw/zinc/91/11/59/387911159.db2.gz COGLPROSJGIGJI-JLIMGVALSA-N 2 1 227.308 -0.831 20 0 BBADMP C[C@H]1CN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[C@@H]1[NH3+] ZINC000424188849 387911771 /nfs/dbraw/zinc/91/17/71/387911771.db2.gz COGLPROSJGIGJI-JXUBOQSCSA-N 2 1 227.308 -0.831 20 0 BBADMP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[C@H]1[NH3+] ZINC000424188851 387910776 /nfs/dbraw/zinc/91/07/76/387910776.db2.gz COGLPROSJGIGJI-KYXWUPHJSA-N 2 1 227.308 -0.831 20 0 BBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000424190139 387912747 /nfs/dbraw/zinc/91/27/47/387912747.db2.gz LWXJVHHJFLFTBH-DBIOUOCHSA-N 2 1 241.335 -0.393 20 0 BBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000424190141 387913321 /nfs/dbraw/zinc/91/33/21/387913321.db2.gz LWXJVHHJFLFTBH-RCWTZXSCSA-N 2 1 241.335 -0.393 20 0 BBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000424190143 387913090 /nfs/dbraw/zinc/91/30/90/387913090.db2.gz LWXJVHHJFLFTBH-YTWAJWBKSA-N 2 1 241.335 -0.393 20 0 BBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000424190146 387913413 /nfs/dbraw/zinc/91/34/13/387913413.db2.gz LWXJVHHJFLFTBH-ZNSHCXBVSA-N 2 1 241.335 -0.393 20 0 BBADMP [NH3+]C[C@@H](NC(=O)[C@H]1COCC[NH2+]1)C1CCCC1 ZINC000424192661 206035227 /nfs/dbraw/zinc/03/52/27/206035227.db2.gz JOAQWMDQGSDAJH-GHMZBOCLSA-N 2 1 241.335 -0.392 20 0 BBADMP [NH3+]C[C@@H](NC(=O)[C@@H]1COCC[NH2+]1)C1CCCC1 ZINC000424192662 206035599 /nfs/dbraw/zinc/03/55/99/206035599.db2.gz JOAQWMDQGSDAJH-MNOVXSKESA-N 2 1 241.335 -0.392 20 0 BBADMP [NH3+]C[C@H](NC(=O)[C@@H]1COCC[NH2+]1)C1CCCC1 ZINC000424192664 206034877 /nfs/dbraw/zinc/03/48/77/206034877.db2.gz JOAQWMDQGSDAJH-QWRGUYRKSA-N 2 1 241.335 -0.392 20 0 BBADMP [NH3+]C[C@H](NC(=O)[C@H]1COCC[NH2+]1)C1CCCC1 ZINC000424192666 206035244 /nfs/dbraw/zinc/03/52/44/206035244.db2.gz JOAQWMDQGSDAJH-WDEREUQCSA-N 2 1 241.335 -0.392 20 0 BBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000424194659 387918034 /nfs/dbraw/zinc/91/80/34/387918034.db2.gz SEKUPNFMEUICHH-MXWKQRLJSA-N 2 1 241.335 -0.474 20 0 BBADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000424194661 387917939 /nfs/dbraw/zinc/91/79/39/387917939.db2.gz SEKUPNFMEUICHH-VWYCJHECSA-N 2 1 241.335 -0.474 20 0 BBADMP C[C@@H]1CN(C(=O)[C@H]2COCC[NH2+]2)C[C@@]1(C)C[NH3+] ZINC000424194671 387918227 /nfs/dbraw/zinc/91/82/27/387918227.db2.gz LQXLMMAHNIXZKZ-CKYFFXLPSA-N 2 1 241.335 -0.582 20 0 BBADMP C[C@@H]1CN(C(=O)[C@@H]2COCC[NH2+]2)C[C@@]1(C)C[NH3+] ZINC000424194673 387917539 /nfs/dbraw/zinc/91/75/39/387917539.db2.gz LQXLMMAHNIXZKZ-JFGNBEQYSA-N 2 1 241.335 -0.582 20 0 BBADMP O=C(NCCC[C@H]1CCC[NH2+]1)[C@H]1COCC[NH2+]1 ZINC000424195881 387920510 /nfs/dbraw/zinc/92/05/10/387920510.db2.gz UBLGUIDTOCGYNC-GHMZBOCLSA-N 2 1 241.335 -0.377 20 0 BBADMP O=C(NCCC[C@H]1CCC[NH2+]1)[C@@H]1COCC[NH2+]1 ZINC000424195882 387919861 /nfs/dbraw/zinc/91/98/61/387919861.db2.gz UBLGUIDTOCGYNC-MNOVXSKESA-N 2 1 241.335 -0.377 20 0 BBADMP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@@H]1COCC[NH2+]1 ZINC000424195883 387920816 /nfs/dbraw/zinc/92/08/16/387920816.db2.gz UBLGUIDTOCGYNC-QWRGUYRKSA-N 2 1 241.335 -0.377 20 0 BBADMP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@H]1COCC[NH2+]1 ZINC000424195884 387919582 /nfs/dbraw/zinc/91/95/82/387919582.db2.gz UBLGUIDTOCGYNC-WDEREUQCSA-N 2 1 241.335 -0.377 20 0 BBADMP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1COCC[NH2+]1 ZINC000424197709 387924350 /nfs/dbraw/zinc/92/43/50/387924350.db2.gz WVAHDHMZFCWMMR-HTQZYQBOSA-N 2 1 249.261 -0.912 20 0 BBADMP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1COCC[NH2+]1 ZINC000424197712 387924424 /nfs/dbraw/zinc/92/44/24/387924424.db2.gz WVAHDHMZFCWMMR-JGVFFNPUSA-N 2 1 249.261 -0.912 20 0 BBADMP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@H]1COCC[NH2+]1 ZINC000424197714 387923996 /nfs/dbraw/zinc/92/39/96/387923996.db2.gz WVAHDHMZFCWMMR-SFYZADRCSA-N 2 1 249.261 -0.912 20 0 BBADMP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1COCC[NH2+]1 ZINC000424197715 387925029 /nfs/dbraw/zinc/92/50/29/387925029.db2.gz WVAHDHMZFCWMMR-YUMQZZPRSA-N 2 1 249.261 -0.912 20 0 BBADMP C[C@@H]1CCN(C(=O)[C@H]2COCC[NH2+]2)C[C@H]1C[NH3+] ZINC000424204238 387928675 /nfs/dbraw/zinc/92/86/75/387928675.db2.gz UZORPHVDHFWODH-GMTAPVOTSA-N 2 1 241.335 -0.582 20 0 BBADMP C[C@@H]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C[C@H]1C[NH3+] ZINC000424204239 387928601 /nfs/dbraw/zinc/92/86/01/387928601.db2.gz UZORPHVDHFWODH-MXWKQRLJSA-N 2 1 241.335 -0.582 20 0 BBADMP C[C@@H]1CCN(C(=O)[C@H]2COCC[NH2+]2)C[C@@H]1C[NH3+] ZINC000424204240 487574879 /nfs/dbraw/zinc/57/48/79/487574879.db2.gz UZORPHVDHFWODH-OUAUKWLOSA-N 2 1 241.335 -0.582 20 0 BBADMP C[C@@H]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C[C@@H]1C[NH3+] ZINC000424204241 487574911 /nfs/dbraw/zinc/57/49/11/487574911.db2.gz UZORPHVDHFWODH-VWYCJHECSA-N 2 1 241.335 -0.582 20 0 BBADMP C[NH2+]CC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000424213775 387931723 /nfs/dbraw/zinc/93/17/23/387931723.db2.gz ASJCKFKHSQEVDU-UHFFFAOYSA-N 2 1 243.351 -0.225 20 0 BBADMP COCC(C)(C)[NH+]1CCN(C(=O)C[NH3+])CC1 ZINC000424215038 387933221 /nfs/dbraw/zinc/93/32/21/387933221.db2.gz DOJUYEGSFROUOL-UHFFFAOYSA-N 2 1 229.324 -0.486 20 0 BBADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000424217677 387935745 /nfs/dbraw/zinc/93/57/45/387935745.db2.gz NFMCIMMHYXUGTF-JTQLQIEISA-N 2 1 243.351 -0.097 20 0 BBADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000424217678 387934960 /nfs/dbraw/zinc/93/49/60/387934960.db2.gz NFMCIMMHYXUGTF-SNVBAGLBSA-N 2 1 243.351 -0.097 20 0 BBADMP N[C@@H]1CCCC[C@H]1[NH2+]CCOCC[NH3+] ZINC000424289616 387953040 /nfs/dbraw/zinc/95/30/40/387953040.db2.gz MCXQZRSMIRLLTD-NXEZZACHSA-N 2 1 201.314 -0.179 20 0 BBADMP [NH3+]CCOCCN[C@@H]1CCCC[C@H]1[NH3+] ZINC000424289616 387953035 /nfs/dbraw/zinc/95/30/35/387953035.db2.gz MCXQZRSMIRLLTD-NXEZZACHSA-N 2 1 201.314 -0.179 20 0 BBADMP N[C@@H]1CCCC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000424295991 387956523 /nfs/dbraw/zinc/95/65/23/387956523.db2.gz RUKORQWTEHKMDF-VXGBXAGGSA-N 2 1 226.368 -0.249 20 0 BBADMP COC(=O)CC1CC([NH2+]C[C@H](O)C[NH+](C)C)C1 ZINC000424325160 387974057 /nfs/dbraw/zinc/97/40/57/387974057.db2.gz XEXVULUILNRVME-ILDUYXDCSA-N 2 1 244.335 -0.160 20 0 BBADMP COC(=O)CC1CC([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000424325161 387973354 /nfs/dbraw/zinc/97/33/54/387973354.db2.gz XEXVULUILNRVME-VQXHTEKXSA-N 2 1 244.335 -0.160 20 0 BBADMP CS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424330857 387975279 /nfs/dbraw/zinc/97/52/79/387975279.db2.gz IRAXCSIYQABRJC-RKDXNWHRSA-N 2 1 235.353 -0.605 20 0 BBADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424331359 387977318 /nfs/dbraw/zinc/97/73/18/387977318.db2.gz JOTLFBHWAISKJE-NXEZZACHSA-N 2 1 249.380 -0.215 20 0 BBADMP [NH3+]CCOCC[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000424337480 387980732 /nfs/dbraw/zinc/98/07/32/387980732.db2.gz RXQTXNZORQQFDN-LLVKDONJSA-N 2 1 239.323 -0.110 20 0 BBADMP [NH3+]CCOCC[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000424337481 387980242 /nfs/dbraw/zinc/98/02/42/387980242.db2.gz RXQTXNZORQQFDN-NSHDSACASA-N 2 1 239.323 -0.110 20 0 BBADMP CCN1CC[NH+](CCC(=O)NCCC[NH3+])CC1 ZINC000428476816 201025389 /nfs/dbraw/zinc/02/53/89/201025389.db2.gz CTXKGPJMTBTRMR-UHFFFAOYSA-N 2 1 242.367 -0.521 20 0 BBADMP O=C(NC[C@@H]1CCC[NH2+]C1)[C@H]1COCC[NH2+]1 ZINC000428593707 201029193 /nfs/dbraw/zinc/02/91/93/201029193.db2.gz CRGDBGNEVJCTSQ-NXEZZACHSA-N 2 1 227.308 -0.909 20 0 BBADMP O=C(NC[C@H]1CCC[NH2+]C1)[C@@H]1COCC[NH2+]1 ZINC000428593709 201029354 /nfs/dbraw/zinc/02/93/54/201029354.db2.gz CRGDBGNEVJCTSQ-UWVGGRQHSA-N 2 1 227.308 -0.909 20 0 BBADMP O=C(NC[C@H]1CCC[NH2+]C1)[C@H]1COCC[NH2+]1 ZINC000428593710 201029060 /nfs/dbraw/zinc/02/90/60/201029060.db2.gz CRGDBGNEVJCTSQ-VHSXEESVSA-N 2 1 227.308 -0.909 20 0 BBADMP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1COCC[NH2+]1 ZINC000428593712 201028930 /nfs/dbraw/zinc/02/89/30/201028930.db2.gz CRGDBGNEVJCTSQ-ZJUUUORDSA-N 2 1 227.308 -0.909 20 0 BBADMP CCC[N@@H+](C)CC(=O)NCCN1CC[NH2+]CC1 ZINC000428655586 384260338 /nfs/dbraw/zinc/26/03/38/384260338.db2.gz MIMQICQYKGJLHD-UHFFFAOYSA-N 2 1 242.367 -0.650 20 0 BBADMP C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000428746116 201041573 /nfs/dbraw/zinc/04/15/73/201041573.db2.gz RZFUHFXXSXFUOK-GHMZBOCLSA-N 2 1 241.335 -0.567 20 0 BBADMP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000428746117 201041927 /nfs/dbraw/zinc/04/19/27/201041927.db2.gz RZFUHFXXSXFUOK-MNOVXSKESA-N 2 1 241.335 -0.567 20 0 BBADMP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000428746118 201039689 /nfs/dbraw/zinc/03/96/89/201039689.db2.gz RZFUHFXXSXFUOK-QWRGUYRKSA-N 2 1 241.335 -0.567 20 0 BBADMP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000428746120 201040237 /nfs/dbraw/zinc/04/02/37/201040237.db2.gz RZFUHFXXSXFUOK-WDEREUQCSA-N 2 1 241.335 -0.567 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC([NH3+])CC2)C1 ZINC000428761542 201042079 /nfs/dbraw/zinc/04/20/79/201042079.db2.gz WKYATVHQWAPIDY-LLVKDONJSA-N 2 1 241.335 -0.343 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH3+])CC2)C1 ZINC000428761542 201042075 /nfs/dbraw/zinc/04/20/75/201042075.db2.gz WKYATVHQWAPIDY-LLVKDONJSA-N 2 1 241.335 -0.343 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([NH3+])CC2)C1 ZINC000428761543 201041092 /nfs/dbraw/zinc/04/10/92/201041092.db2.gz WKYATVHQWAPIDY-NSHDSACASA-N 2 1 241.335 -0.343 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([NH3+])CC2)C1 ZINC000428761543 201041088 /nfs/dbraw/zinc/04/10/88/201041088.db2.gz WKYATVHQWAPIDY-NSHDSACASA-N 2 1 241.335 -0.343 20 0 BBADMP C[C@H]([NH3+])C1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000428908409 201047649 /nfs/dbraw/zinc/04/76/49/201047649.db2.gz VRWREIPYFVHCHQ-GXSJLCMTSA-N 2 1 241.335 -0.439 20 0 BBADMP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000428908410 201047336 /nfs/dbraw/zinc/04/73/36/201047336.db2.gz VRWREIPYFVHCHQ-KOLCDFICSA-N 2 1 241.335 -0.439 20 0 BBADMP C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000428908411 201047551 /nfs/dbraw/zinc/04/75/51/201047551.db2.gz VRWREIPYFVHCHQ-MWLCHTKSSA-N 2 1 241.335 -0.439 20 0 BBADMP C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000428908412 201047419 /nfs/dbraw/zinc/04/74/19/201047419.db2.gz VRWREIPYFVHCHQ-ONGXEEELSA-N 2 1 241.335 -0.439 20 0 BBADMP C[C@H](C(=O)NCC[NH+](C)C)N1CC[NH+](C)CC1 ZINC000428970079 201054078 /nfs/dbraw/zinc/05/40/78/201054078.db2.gz SOAUEUKBHNRGKL-LLVKDONJSA-N 2 1 242.367 -0.700 20 0 BBADMP C[C@@H](C(=O)NCC[NH+](C)C)N1CC[NH+](C)CC1 ZINC000428970081 201054460 /nfs/dbraw/zinc/05/44/60/201054460.db2.gz SOAUEUKBHNRGKL-NSHDSACASA-N 2 1 242.367 -0.700 20 0 BBADMP C[C@H](NC(=O)[C@@H]1COCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000428976561 201054290 /nfs/dbraw/zinc/05/42/90/201054290.db2.gz KGEJUJWUANTHCB-AXFHLTTASA-N 2 1 241.335 -0.521 20 0 BBADMP C[C@H](NC(=O)[C@@H]1COCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000428976562 201054268 /nfs/dbraw/zinc/05/42/68/201054268.db2.gz KGEJUJWUANTHCB-DCAQKATOSA-N 2 1 241.335 -0.521 20 0 BBADMP C[C@H](NC(=O)[C@H]1COCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000428976563 201054679 /nfs/dbraw/zinc/05/46/79/201054679.db2.gz KGEJUJWUANTHCB-GARJFASQSA-N 2 1 241.335 -0.521 20 0 BBADMP C[C@H](NC(=O)[C@H]1COCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000428976564 201055052 /nfs/dbraw/zinc/05/50/52/201055052.db2.gz KGEJUJWUANTHCB-HBNTYKKESA-N 2 1 241.335 -0.521 20 0 BBADMP CNC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000428999272 201059116 /nfs/dbraw/zinc/05/91/16/201059116.db2.gz VTKSYUSOAADERX-UHFFFAOYSA-N 2 1 244.383 -0.452 20 0 BBADMP CCN1CC[NH+](CCC(=O)NCC[NH2+]C)CC1 ZINC000429080214 201066572 /nfs/dbraw/zinc/06/65/72/201066572.db2.gz NFVUSQHKORKCPW-UHFFFAOYSA-N 2 1 242.367 -0.650 20 0 BBADMP O=C(NCC[C@H]1CC[NH2+]C1)[C@H]1COCC[NH2+]1 ZINC000429108502 201068460 /nfs/dbraw/zinc/06/84/60/201068460.db2.gz HEWRWGQWAVCYKP-NXEZZACHSA-N 2 1 227.308 -0.909 20 0 BBADMP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1COCC[NH2+]1 ZINC000429108503 201067364 /nfs/dbraw/zinc/06/73/64/201067364.db2.gz HEWRWGQWAVCYKP-UWVGGRQHSA-N 2 1 227.308 -0.909 20 0 BBADMP O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1COCC[NH2+]1 ZINC000429108504 201068210 /nfs/dbraw/zinc/06/82/10/201068210.db2.gz HEWRWGQWAVCYKP-VHSXEESVSA-N 2 1 227.308 -0.909 20 0 BBADMP O=C(NCC[C@H]1CC[NH2+]C1)[C@@H]1COCC[NH2+]1 ZINC000429108505 201067922 /nfs/dbraw/zinc/06/79/22/201067922.db2.gz HEWRWGQWAVCYKP-ZJUUUORDSA-N 2 1 227.308 -0.909 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]([NH3+])C(C)C)C1 ZINC000429172798 201074062 /nfs/dbraw/zinc/07/40/62/201074062.db2.gz SFODDQWZMLLUFJ-GHMZBOCLSA-N 2 1 243.351 -0.193 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]([NH3+])C(C)C)C1 ZINC000429172798 201074058 /nfs/dbraw/zinc/07/40/58/201074058.db2.gz SFODDQWZMLLUFJ-GHMZBOCLSA-N 2 1 243.351 -0.193 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]([NH3+])C(C)C)C1 ZINC000429172799 201074007 /nfs/dbraw/zinc/07/40/07/201074007.db2.gz SFODDQWZMLLUFJ-MNOVXSKESA-N 2 1 243.351 -0.193 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]([NH3+])C(C)C)C1 ZINC000429172799 201074003 /nfs/dbraw/zinc/07/40/03/201074003.db2.gz SFODDQWZMLLUFJ-MNOVXSKESA-N 2 1 243.351 -0.193 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000429178143 201076627 /nfs/dbraw/zinc/07/66/27/201076627.db2.gz DGFICBVPLYFYNE-AXFHLTTASA-N 2 1 241.335 -0.439 20 0 BBADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000429178144 201075383 /nfs/dbraw/zinc/07/53/83/201075383.db2.gz DGFICBVPLYFYNE-DCAQKATOSA-N 2 1 241.335 -0.439 20 0 BBADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000429178145 201075321 /nfs/dbraw/zinc/07/53/21/201075321.db2.gz DGFICBVPLYFYNE-GARJFASQSA-N 2 1 241.335 -0.439 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000429178146 201075597 /nfs/dbraw/zinc/07/55/97/201075597.db2.gz DGFICBVPLYFYNE-HBNTYKKESA-N 2 1 241.335 -0.439 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)C[NH2+]C)C1 ZINC000429219295 201077819 /nfs/dbraw/zinc/07/78/19/201077819.db2.gz GUGAEUKIHDSSQB-GHMZBOCLSA-N 2 1 243.351 -0.321 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)C[NH2+]C)C1 ZINC000429219295 201077815 /nfs/dbraw/zinc/07/78/15/201077815.db2.gz GUGAEUKIHDSSQB-GHMZBOCLSA-N 2 1 243.351 -0.321 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)C[NH2+]C)C1 ZINC000429219296 201079036 /nfs/dbraw/zinc/07/90/36/201079036.db2.gz GUGAEUKIHDSSQB-MNOVXSKESA-N 2 1 243.351 -0.321 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)C[NH2+]C)C1 ZINC000429219296 201079034 /nfs/dbraw/zinc/07/90/34/201079034.db2.gz GUGAEUKIHDSSQB-MNOVXSKESA-N 2 1 243.351 -0.321 20 0 BBADMP C[NH2+]CC1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000429467580 201109956 /nfs/dbraw/zinc/10/99/56/201109956.db2.gz KMDHZMBFHVTRMJ-LLVKDONJSA-N 2 1 241.335 -0.567 20 0 BBADMP C[NH2+]CC1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000429467592 201110701 /nfs/dbraw/zinc/11/07/01/201110701.db2.gz KMDHZMBFHVTRMJ-NSHDSACASA-N 2 1 241.335 -0.567 20 0 BBADMP CN(C)CC(=O)N[C@@H]1CCn2ccnc2C1 ZINC000429614740 201122127 /nfs/dbraw/zinc/12/21/27/201122127.db2.gz YOCFIHZTCCKCTA-SECBINFHSA-N 2 1 222.292 -0.124 20 0 BBADMP CN(C)CC(=O)N[C@H]1CCn2ccnc2C1 ZINC000429614741 201121097 /nfs/dbraw/zinc/12/10/97/201121097.db2.gz YOCFIHZTCCKCTA-VIFPVBQESA-N 2 1 222.292 -0.124 20 0 BBADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000430537991 387625946 /nfs/dbraw/zinc/62/59/46/387625946.db2.gz ALDGELJRAYMZAT-NXEZZACHSA-N 2 1 249.380 -0.405 20 0 BBADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC000430537991 387625943 /nfs/dbraw/zinc/62/59/43/387625943.db2.gz ALDGELJRAYMZAT-NXEZZACHSA-N 2 1 249.380 -0.405 20 0 BBADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000430537994 387624608 /nfs/dbraw/zinc/62/46/08/387624608.db2.gz ALDGELJRAYMZAT-UWVGGRQHSA-N 2 1 249.380 -0.405 20 0 BBADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC000430537994 387624603 /nfs/dbraw/zinc/62/46/03/387624603.db2.gz ALDGELJRAYMZAT-UWVGGRQHSA-N 2 1 249.380 -0.405 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000430537995 387625718 /nfs/dbraw/zinc/62/57/18/387625718.db2.gz ALDGELJRAYMZAT-VHSXEESVSA-N 2 1 249.380 -0.405 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC000430537995 387625711 /nfs/dbraw/zinc/62/57/11/387625711.db2.gz ALDGELJRAYMZAT-VHSXEESVSA-N 2 1 249.380 -0.405 20 0 BBADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000430537997 387625126 /nfs/dbraw/zinc/62/51/26/387625126.db2.gz ALDGELJRAYMZAT-ZJUUUORDSA-N 2 1 249.380 -0.405 20 0 BBADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC000430537997 387625120 /nfs/dbraw/zinc/62/51/20/387625120.db2.gz ALDGELJRAYMZAT-ZJUUUORDSA-N 2 1 249.380 -0.405 20 0 BBADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCC(=O)NC(N)=O ZINC000430554877 387628541 /nfs/dbraw/zinc/62/85/41/387628541.db2.gz OFDBCQWCDDFGIJ-JTQLQIEISA-N 2 1 230.312 -0.466 20 0 BBADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCC(=O)NC(N)=O ZINC000430555176 387628587 /nfs/dbraw/zinc/62/85/87/387628587.db2.gz OFDBCQWCDDFGIJ-SNVBAGLBSA-N 2 1 230.312 -0.466 20 0 BBADMP CNC(=O)NC(=O)CC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430556441 387628396 /nfs/dbraw/zinc/62/83/96/387628396.db2.gz QQAHLNAMCRMIPE-LLVKDONJSA-N 2 1 244.339 -0.205 20 0 BBADMP CNC(=O)NC(=O)CC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430556444 387627843 /nfs/dbraw/zinc/62/78/43/387627843.db2.gz QQAHLNAMCRMIPE-NSHDSACASA-N 2 1 244.339 -0.205 20 0 BBADMP [NH3+]C[C@H]1CCC[N@H+]1CCC(=O)N1CCOCC1 ZINC000430563080 398228032 /nfs/dbraw/zinc/22/80/32/398228032.db2.gz UIIHDJCCEDOFIQ-LLVKDONJSA-N 2 1 241.335 -0.342 20 0 BBADMP [NH3+]C[C@H]1CCC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000430563080 398228028 /nfs/dbraw/zinc/22/80/28/398228028.db2.gz UIIHDJCCEDOFIQ-LLVKDONJSA-N 2 1 241.335 -0.342 20 0 BBADMP [NH3+]C[C@@H]1CCC[N@H+]1CCC(=O)N1CCOCC1 ZINC000430563081 398228127 /nfs/dbraw/zinc/22/81/27/398228127.db2.gz UIIHDJCCEDOFIQ-NSHDSACASA-N 2 1 241.335 -0.342 20 0 BBADMP [NH3+]C[C@@H]1CCC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000430563081 398228124 /nfs/dbraw/zinc/22/81/24/398228124.db2.gz UIIHDJCCEDOFIQ-NSHDSACASA-N 2 1 241.335 -0.342 20 0 BBADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCN1C(=O)CNC1=O ZINC000430565556 398227758 /nfs/dbraw/zinc/22/77/58/398227758.db2.gz PYKKRVSHIFTDLL-LLVKDONJSA-N 2 1 242.323 -0.499 20 0 BBADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCN1C(=O)CNC1=O ZINC000430565557 398228165 /nfs/dbraw/zinc/22/81/65/398228165.db2.gz PYKKRVSHIFTDLL-NSHDSACASA-N 2 1 242.323 -0.499 20 0 BBADMP CNC(=O)NC(=O)CC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430570489 398229165 /nfs/dbraw/zinc/22/91/65/398229165.db2.gz KJUWHFPOEJNQRX-LLVKDONJSA-N 2 1 242.323 -0.451 20 0 BBADMP CNC(=O)NC(=O)CC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430570490 398228881 /nfs/dbraw/zinc/22/88/81/398228881.db2.gz KJUWHFPOEJNQRX-NSHDSACASA-N 2 1 242.323 -0.451 20 0 BBADMP C[C@](C[NH3+])([NH2+]CCN1C(=O)CNC1=O)C1CC1 ZINC000430572547 398229622 /nfs/dbraw/zinc/22/96/22/398229622.db2.gz OPUIVYVXLXDIDT-LLVKDONJSA-N 2 1 240.307 -0.745 20 0 BBADMP C[C@@](C[NH3+])([NH2+]CCN1C(=O)CNC1=O)C1CC1 ZINC000430572550 398229438 /nfs/dbraw/zinc/22/94/38/398229438.db2.gz OPUIVYVXLXDIDT-NSHDSACASA-N 2 1 240.307 -0.745 20 0 BBADMP CCS(=O)(=O)NCC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430574240 398229022 /nfs/dbraw/zinc/22/90/22/398229022.db2.gz NNWNUYIMCBXSJM-JTQLQIEISA-N 2 1 249.380 -0.357 20 0 BBADMP CCS(=O)(=O)NCC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430574243 398229229 /nfs/dbraw/zinc/22/92/29/398229229.db2.gz NNWNUYIMCBXSJM-SNVBAGLBSA-N 2 1 249.380 -0.357 20 0 BBADMP CNC(=O)NC(=O)C[NH2+][C@@](C)(CN)C1CC1 ZINC000430591829 387629654 /nfs/dbraw/zinc/62/96/54/387629654.db2.gz OTCOLJIVQKJFMU-JTQLQIEISA-N 2 1 228.296 -0.841 20 0 BBADMP CNC(=O)NC(=O)C[NH2+][C@](C)(CN)C1CC1 ZINC000430591833 387631639 /nfs/dbraw/zinc/63/16/39/387631639.db2.gz OTCOLJIVQKJFMU-SNVBAGLBSA-N 2 1 228.296 -0.841 20 0 BBADMP CN(C)S(=O)(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000430593937 387630141 /nfs/dbraw/zinc/63/01/41/387630141.db2.gz PYWIOKGRWJNEGQ-UHFFFAOYSA-N 2 1 249.380 -0.309 20 0 BBADMP CNS(=O)(=O)CCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430601677 387633113 /nfs/dbraw/zinc/63/31/13/387633113.db2.gz FAIMMKGRORUFIS-JTQLQIEISA-N 2 1 249.380 -0.404 20 0 BBADMP CNS(=O)(=O)CCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430601679 387632185 /nfs/dbraw/zinc/63/21/85/387632185.db2.gz FAIMMKGRORUFIS-SNVBAGLBSA-N 2 1 249.380 -0.404 20 0 BBADMP CNS(=O)(=O)CCC[N@@H+](C)C1CC[NH2+]CC1 ZINC000430644066 387636036 /nfs/dbraw/zinc/63/60/36/387636036.db2.gz SVPPOZNUBUARDD-UHFFFAOYSA-N 2 1 249.380 -0.391 20 0 BBADMP CNS(=O)(=O)CCC[N@H+](C)C1CC[NH2+]CC1 ZINC000430644066 387636033 /nfs/dbraw/zinc/63/60/33/387636033.db2.gz SVPPOZNUBUARDD-UHFFFAOYSA-N 2 1 249.380 -0.391 20 0 BBADMP CC[N@H+]1CC[C@@H](CNC(=O)COC2C[NH2+]C2)C1 ZINC000430677262 387637579 /nfs/dbraw/zinc/63/75/79/387637579.db2.gz GAWZBCLBVCFLCI-JTQLQIEISA-N 2 1 241.335 -0.567 20 0 BBADMP CC[N@H+]1CC[C@H](CNC(=O)COC2C[NH2+]C2)C1 ZINC000430677263 387638961 /nfs/dbraw/zinc/63/89/61/387638961.db2.gz GAWZBCLBVCFLCI-SNVBAGLBSA-N 2 1 241.335 -0.567 20 0 BBADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C[NH3+] ZINC000430687664 387640973 /nfs/dbraw/zinc/64/09/73/387640973.db2.gz ZBHJCEUVILWKKT-MRVPVSSYSA-N 2 1 210.281 -0.097 20 0 BBADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C[NH3+] ZINC000430687665 387640042 /nfs/dbraw/zinc/64/00/42/387640042.db2.gz ZBHJCEUVILWKKT-QMMMGPOBSA-N 2 1 210.281 -0.097 20 0 BBADMP C[C@@H]1C[C@H](NC(=O)COC2C[NH2+]C2)CC[N@H+]1C ZINC000430701163 387640187 /nfs/dbraw/zinc/64/01/87/387640187.db2.gz UXHBLOJFPAOMKM-NXEZZACHSA-N 2 1 241.335 -0.426 20 0 BBADMP C[C@H]1C[C@@H](NC(=O)COC2C[NH2+]C2)CC[N@H+]1C ZINC000430701164 387639755 /nfs/dbraw/zinc/63/97/55/387639755.db2.gz UXHBLOJFPAOMKM-UWVGGRQHSA-N 2 1 241.335 -0.426 20 0 BBADMP C[C@H]1C[C@H](NC(=O)COC2C[NH2+]C2)CC[N@H+]1C ZINC000430701165 387640205 /nfs/dbraw/zinc/64/02/05/387640205.db2.gz UXHBLOJFPAOMKM-VHSXEESVSA-N 2 1 241.335 -0.426 20 0 BBADMP C[C@@H]1C[C@@H](NC(=O)COC2C[NH2+]C2)CC[N@H+]1C ZINC000430701166 387640353 /nfs/dbraw/zinc/64/03/53/387640353.db2.gz UXHBLOJFPAOMKM-ZJUUUORDSA-N 2 1 241.335 -0.426 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)C(C)(C)C[NH3+])C1 ZINC000430713986 387643215 /nfs/dbraw/zinc/64/32/15/387643215.db2.gz MCZINTXPXYHBNP-JTQLQIEISA-N 2 1 243.351 -0.192 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH3+])C1 ZINC000430713987 387642762 /nfs/dbraw/zinc/64/27/62/387642762.db2.gz MCZINTXPXYHBNP-SNVBAGLBSA-N 2 1 243.351 -0.192 20 0 BBADMP CN(C)c1[nH+]cc(CNC(=O)C(C)(C)[NH3+])n1C ZINC000430716511 387641920 /nfs/dbraw/zinc/64/19/20/387641920.db2.gz WBMNVUCQOFBKEL-UHFFFAOYSA-N 2 1 239.323 -0.160 20 0 BBADMP CN(C)c1[nH+]cc(CNC(=O)CCC[NH3+])n1C ZINC000430716688 387642426 /nfs/dbraw/zinc/64/24/26/387642426.db2.gz DOIQSFSKFPIVAC-UHFFFAOYSA-N 2 1 239.323 -0.159 20 0 BBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)COC1C[NH2+]C1 ZINC000430718642 387644984 /nfs/dbraw/zinc/64/49/84/387644984.db2.gz HEKQQUUTPFTDEI-SECBINFHSA-N 2 1 227.308 -0.863 20 0 BBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)COC1C[NH2+]C1 ZINC000430718642 387644982 /nfs/dbraw/zinc/64/49/82/387644982.db2.gz HEKQQUUTPFTDEI-SECBINFHSA-N 2 1 227.308 -0.863 20 0 BBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)COC1C[NH2+]C1 ZINC000430718650 387644704 /nfs/dbraw/zinc/64/47/04/387644704.db2.gz HEKQQUUTPFTDEI-VIFPVBQESA-N 2 1 227.308 -0.863 20 0 BBADMP C[C@H]1C[N@H+](C)CCN1C(=O)COC1C[NH2+]C1 ZINC000430718650 387644698 /nfs/dbraw/zinc/64/46/98/387644698.db2.gz HEKQQUUTPFTDEI-VIFPVBQESA-N 2 1 227.308 -0.863 20 0 BBADMP CN(C)c1[nH+]cc(CNC(=O)CC[NH3+])n1C ZINC000430719402 387643017 /nfs/dbraw/zinc/64/30/17/387643017.db2.gz JLBOVODZGNJWQN-UHFFFAOYSA-N 2 1 225.296 -0.549 20 0 BBADMP O=C(COC1C[NH2+]C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000430719579 387644593 /nfs/dbraw/zinc/64/45/93/387644593.db2.gz KCAGQQBDKGCJAK-JTQLQIEISA-N 2 1 239.319 -0.719 20 0 BBADMP O=C(COC1C[NH2+]C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000430719581 387644232 /nfs/dbraw/zinc/64/42/32/387644232.db2.gz KCAGQQBDKGCJAK-SNVBAGLBSA-N 2 1 239.319 -0.719 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC(=O)CC[NH3+])C1 ZINC000430719880 387645517 /nfs/dbraw/zinc/64/55/17/387645517.db2.gz LCSNMWCOZYNEHC-SECBINFHSA-N 2 1 215.297 -0.828 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)CC[NH3+])C1 ZINC000430719882 387645357 /nfs/dbraw/zinc/64/53/57/387645357.db2.gz LCSNMWCOZYNEHC-VIFPVBQESA-N 2 1 215.297 -0.828 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)CCC[NH3+])C1 ZINC000430724825 387644098 /nfs/dbraw/zinc/64/40/98/387644098.db2.gz WBHVSPHDXBVZFT-JTQLQIEISA-N 2 1 229.324 -0.438 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC(=O)CCC[NH3+])C1 ZINC000430724833 387645457 /nfs/dbraw/zinc/64/54/57/387645457.db2.gz WBHVSPHDXBVZFT-SNVBAGLBSA-N 2 1 229.324 -0.438 20 0 BBADMP C[NH2+]CCCC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000430726422 387644153 /nfs/dbraw/zinc/64/41/53/387644153.db2.gz VUSHBKVEQXVPMJ-LLVKDONJSA-N 2 1 243.351 -0.177 20 0 BBADMP C[NH2+]CCCC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000430726423 387644377 /nfs/dbraw/zinc/64/43/77/387644377.db2.gz VUSHBKVEQXVPMJ-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000430730429 387645376 /nfs/dbraw/zinc/64/53/76/387645376.db2.gz JEBFNCIAODSTAS-GHMZBOCLSA-N 2 1 243.351 -0.321 20 0 BBADMP C[NH2+]C[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000430730430 387644673 /nfs/dbraw/zinc/64/46/73/387644673.db2.gz JEBFNCIAODSTAS-MNOVXSKESA-N 2 1 243.351 -0.321 20 0 BBADMP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000430730431 387645199 /nfs/dbraw/zinc/64/51/99/387645199.db2.gz JEBFNCIAODSTAS-QWRGUYRKSA-N 2 1 243.351 -0.321 20 0 BBADMP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000430730432 387644253 /nfs/dbraw/zinc/64/42/53/387644253.db2.gz JEBFNCIAODSTAS-WDEREUQCSA-N 2 1 243.351 -0.321 20 0 BBADMP C[NH2+]CC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000430730459 387644531 /nfs/dbraw/zinc/64/45/31/387644531.db2.gz JHCPELZSEBNNQQ-UHFFFAOYSA-N 2 1 225.296 -0.678 20 0 BBADMP Cc1cccc(NCCNC(=O)C[NH3+])[nH+]1 ZINC000430734852 387647754 /nfs/dbraw/zinc/64/77/54/387647754.db2.gz XMRAHSAFSDDPFP-UHFFFAOYSA-N 2 1 208.265 -0.123 20 0 BBADMP CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000430735416 387646834 /nfs/dbraw/zinc/64/68/34/387646834.db2.gz YYUKLEMOQQOYKL-UWVGGRQHSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000430735417 387647549 /nfs/dbraw/zinc/64/75/49/387647549.db2.gz YYUKLEMOQQOYKL-ZJUUUORDSA-N 2 1 229.324 -0.439 20 0 BBADMP COCC[NH+]1CCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000430743140 387646941 /nfs/dbraw/zinc/64/69/41/387646941.db2.gz NWALOPLURYXKTR-JTQLQIEISA-N 2 1 229.324 -0.486 20 0 BBADMP COCC[NH+]1CCN(C(=O)C[C@@H](C)[NH3+])CC1 ZINC000430743142 387647399 /nfs/dbraw/zinc/64/73/99/387647399.db2.gz NWALOPLURYXKTR-SNVBAGLBSA-N 2 1 229.324 -0.486 20 0 BBADMP O=C(COC1C[NH2+]C1)N1CC[NH+](C2CC2)CC1 ZINC000430752433 398230433 /nfs/dbraw/zinc/23/04/33/398230433.db2.gz CGOCASHEAFSZAZ-UHFFFAOYSA-N 2 1 239.319 -0.719 20 0 BBADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)C[NH3+] ZINC000430778625 387650020 /nfs/dbraw/zinc/65/00/20/387650020.db2.gz TYSHYANRDZEKMQ-SECBINFHSA-N 2 1 215.297 -0.828 20 0 BBADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)C[NH3+] ZINC000430778626 387649035 /nfs/dbraw/zinc/64/90/35/387649035.db2.gz TYSHYANRDZEKMQ-VIFPVBQESA-N 2 1 215.297 -0.828 20 0 BBADMP CCC[N@@H+](CC)CCNC(=O)COC1C[NH2+]C1 ZINC000430809930 387653354 /nfs/dbraw/zinc/65/33/54/387653354.db2.gz SDVWUKPSBLSXTI-UHFFFAOYSA-N 2 1 243.351 -0.177 20 0 BBADMP CC[C@H]([NH3+])C(=O)NCC[N@@H+](C)CCCOC ZINC000430817334 387654904 /nfs/dbraw/zinc/65/49/04/387654904.db2.gz RVZRTTGKHQRJPJ-JTQLQIEISA-N 2 1 231.340 -0.192 20 0 BBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)COC1C[NH2+]C1 ZINC000430883906 387658396 /nfs/dbraw/zinc/65/83/96/387658396.db2.gz FEMXNFPIEPEVFA-JTQLQIEISA-N 2 1 243.351 -0.179 20 0 BBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)COC1C[NH2+]C1 ZINC000430883907 387658300 /nfs/dbraw/zinc/65/83/00/387658300.db2.gz FEMXNFPIEPEVFA-SNVBAGLBSA-N 2 1 243.351 -0.179 20 0 BBADMP CC[N@@H+](CCNC(=O)COC1C[NH2+]C1)C(C)C ZINC000430900871 387659332 /nfs/dbraw/zinc/65/93/32/387659332.db2.gz RFMPZRVDEGVDNL-UHFFFAOYSA-N 2 1 243.351 -0.179 20 0 BBADMP CC[N@@H+](CCNC(=O)COC1C[NH2+]C1)C1CC1 ZINC000430905420 387658352 /nfs/dbraw/zinc/65/83/52/387658352.db2.gz DYZVIQACGGLTJY-UHFFFAOYSA-N 2 1 241.335 -0.425 20 0 BBADMP CC(C)[N@@H+](C)CCNC(=O)COC1C[NH2+]C1 ZINC000430909512 206062149 /nfs/dbraw/zinc/06/21/49/206062149.db2.gz OKZYFZIKDVTFDR-UHFFFAOYSA-N 2 1 229.324 -0.569 20 0 BBADMP C[C@H](CNC(=O)COC1C[NH2+]C1)[N@@H+](C)C1CC1 ZINC000430909774 206061672 /nfs/dbraw/zinc/06/16/72/206061672.db2.gz BVYPDLRTBCTGCN-SECBINFHSA-N 2 1 241.335 -0.426 20 0 BBADMP C[C@@H](CNC(=O)COC1C[NH2+]C1)[N@@H+](C)C1CC1 ZINC000430909775 206062729 /nfs/dbraw/zinc/06/27/29/206062729.db2.gz BVYPDLRTBCTGCN-VIFPVBQESA-N 2 1 241.335 -0.426 20 0 BBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000430937832 387663459 /nfs/dbraw/zinc/66/34/59/387663459.db2.gz FPJNSWZHFPPGJZ-JTQLQIEISA-N 2 1 249.380 -0.533 20 0 BBADMP CNS(=O)(=O)CCC[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000430937832 387663456 /nfs/dbraw/zinc/66/34/56/387663456.db2.gz FPJNSWZHFPPGJZ-JTQLQIEISA-N 2 1 249.380 -0.533 20 0 BBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000430937833 387661503 /nfs/dbraw/zinc/66/15/03/387661503.db2.gz FPJNSWZHFPPGJZ-SNVBAGLBSA-N 2 1 249.380 -0.533 20 0 BBADMP CNS(=O)(=O)CCC[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000430937833 387661496 /nfs/dbraw/zinc/66/14/96/387661496.db2.gz FPJNSWZHFPPGJZ-SNVBAGLBSA-N 2 1 249.380 -0.533 20 0 BBADMP [NH3+]C[C@H]1CC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000430950525 387069873 /nfs/dbraw/zinc/06/98/73/387069873.db2.gz RQGKGYXDWGOKDV-LLVKDONJSA-N 2 1 241.335 -0.484 20 0 BBADMP [NH3+]C[C@@H]1CC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000430950529 387070608 /nfs/dbraw/zinc/07/06/08/387070608.db2.gz RQGKGYXDWGOKDV-NSHDSACASA-N 2 1 241.335 -0.484 20 0 BBADMP CN(C)S(=O)(=O)CCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430964503 387664737 /nfs/dbraw/zinc/66/47/37/387664737.db2.gz FGYAQVZDMQIOSV-JTQLQIEISA-N 2 1 249.380 -0.452 20 0 BBADMP CN(C)S(=O)(=O)CCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430964504 387666630 /nfs/dbraw/zinc/66/66/30/387666630.db2.gz FGYAQVZDMQIOSV-SNVBAGLBSA-N 2 1 249.380 -0.452 20 0 BBADMP C[C@H](C[NH3+])N(C)CCC[NH+]1CCOCC1 ZINC000430968951 387664822 /nfs/dbraw/zinc/66/48/22/387664822.db2.gz XYQAWNKLYLCHJQ-LLVKDONJSA-N 2 1 215.341 -0.012 20 0 BBADMP C[C@@H](C[NH3+])N(C)CCC[NH+]1CCOCC1 ZINC000430968952 387666160 /nfs/dbraw/zinc/66/61/60/387666160.db2.gz XYQAWNKLYLCHJQ-NSHDSACASA-N 2 1 215.341 -0.012 20 0 BBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430971543 387666026 /nfs/dbraw/zinc/66/60/26/387666026.db2.gz LMPAAALHGIIJDW-NXEZZACHSA-N 2 1 249.380 -0.405 20 0 BBADMP CNS(=O)(=O)CCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430971543 387666021 /nfs/dbraw/zinc/66/60/21/387666021.db2.gz LMPAAALHGIIJDW-NXEZZACHSA-N 2 1 249.380 -0.405 20 0 BBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430971544 387665036 /nfs/dbraw/zinc/66/50/36/387665036.db2.gz LMPAAALHGIIJDW-UWVGGRQHSA-N 2 1 249.380 -0.405 20 0 BBADMP CNS(=O)(=O)CCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430971544 387665032 /nfs/dbraw/zinc/66/50/32/387665032.db2.gz LMPAAALHGIIJDW-UWVGGRQHSA-N 2 1 249.380 -0.405 20 0 BBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430971545 387664800 /nfs/dbraw/zinc/66/48/00/387664800.db2.gz LMPAAALHGIIJDW-VHSXEESVSA-N 2 1 249.380 -0.405 20 0 BBADMP CNS(=O)(=O)CCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430971545 387664796 /nfs/dbraw/zinc/66/47/96/387664796.db2.gz LMPAAALHGIIJDW-VHSXEESVSA-N 2 1 249.380 -0.405 20 0 BBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430971546 387664748 /nfs/dbraw/zinc/66/47/48/387664748.db2.gz LMPAAALHGIIJDW-ZJUUUORDSA-N 2 1 249.380 -0.405 20 0 BBADMP CNS(=O)(=O)CCC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430971546 387664746 /nfs/dbraw/zinc/66/47/46/387664746.db2.gz LMPAAALHGIIJDW-ZJUUUORDSA-N 2 1 249.380 -0.405 20 0 BBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CC[NH3+] ZINC000431023772 387671064 /nfs/dbraw/zinc/67/10/64/387671064.db2.gz IVUYTJHCOMUTNX-PSASIEDQSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CC[NH3+] ZINC000431023775 387671189 /nfs/dbraw/zinc/67/11/89/387671189.db2.gz IVUYTJHCOMUTNX-SCZZXKLOSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CC[NH3+] ZINC000431023776 387669797 /nfs/dbraw/zinc/66/97/97/387669797.db2.gz IVUYTJHCOMUTNX-WCBMZHEXSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CC[NH3+] ZINC000431023779 387671579 /nfs/dbraw/zinc/67/15/79/387671579.db2.gz IVUYTJHCOMUTNX-WPRPVWTQSA-N 2 1 211.309 -0.066 20 0 BBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C[NH3+])CC1 ZINC000431024094 387671452 /nfs/dbraw/zinc/67/14/52/387671452.db2.gz OADWVVOYGBXEAU-LLVKDONJSA-N 2 1 242.367 -0.665 20 0 BBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C[NH3+])CC1 ZINC000431024101 387669715 /nfs/dbraw/zinc/66/97/15/387669715.db2.gz OADWVVOYGBXEAU-NSHDSACASA-N 2 1 242.367 -0.665 20 0 BBADMP Cc1[nH+]ccn1CCNC(=O)COC1C[NH2+]C1 ZINC000431031893 387672400 /nfs/dbraw/zinc/67/24/00/387672400.db2.gz FIMYREULBGZFOH-UHFFFAOYSA-N 2 1 238.291 -0.704 20 0 BBADMP C[NH+](C)CCN1CCC(CNC(=O)C[NH3+])CC1 ZINC000431034328 387673315 /nfs/dbraw/zinc/67/33/15/387673315.db2.gz WBZOAAHFWDBBKX-UHFFFAOYSA-N 2 1 242.367 -0.665 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)COC1C[NH2+]C1 ZINC000431035212 192902342 /nfs/dbraw/zinc/90/23/42/192902342.db2.gz RCQBARWBQSWONM-SECBINFHSA-N 2 1 227.308 -0.815 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)COC1C[NH2+]C1 ZINC000431035213 387670081 /nfs/dbraw/zinc/67/00/81/387670081.db2.gz RCQBARWBQSWONM-VIFPVBQESA-N 2 1 227.308 -0.815 20 0 BBADMP C[N@@H+](CCNC(=O)COC1C[NH2+]C1)C1CC1 ZINC000431045016 387673536 /nfs/dbraw/zinc/67/35/36/387673536.db2.gz ZVLYFVBWBJAZJQ-UHFFFAOYSA-N 2 1 227.308 -0.815 20 0 BBADMP CC[N@H+]1CCC[C@H](NC(=O)COC2C[NH2+]C2)C1 ZINC000431066082 387676096 /nfs/dbraw/zinc/67/60/96/387676096.db2.gz QVZRWQOAEOHTIB-JTQLQIEISA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@H+]1CCC[C@@H](NC(=O)COC2C[NH2+]C2)C1 ZINC000431066083 387675626 /nfs/dbraw/zinc/67/56/26/387675626.db2.gz QVZRWQOAEOHTIB-SNVBAGLBSA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@@H+](C)CCNC(=O)COC1C[NH2+]C1 ZINC000431067433 387676252 /nfs/dbraw/zinc/67/62/52/387676252.db2.gz WKNLKGAIJLBPRD-UHFFFAOYSA-N 2 1 215.297 -0.957 20 0 BBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000432524516 398238443 /nfs/dbraw/zinc/23/84/43/398238443.db2.gz CPLACDYLIFCCHG-INTQDDNPSA-N 2 1 239.319 -0.938 20 0 BBADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1COCC[NH2+]1 ZINC000432527097 387800580 /nfs/dbraw/zinc/80/05/80/387800580.db2.gz NYFRLVKBFVJLOB-BBBLOLIVSA-N 2 1 227.308 -0.911 20 0 BBADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1COCC[NH2+]1 ZINC000432527098 387800416 /nfs/dbraw/zinc/80/04/16/387800416.db2.gz NYFRLVKBFVJLOB-KXUCPTDWSA-N 2 1 227.308 -0.911 20 0 BBADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1COCC[NH2+]1 ZINC000432527099 387800589 /nfs/dbraw/zinc/80/05/89/387800589.db2.gz NYFRLVKBFVJLOB-OPRDCNLKSA-N 2 1 227.308 -0.911 20 0 BBADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1COCC[NH2+]1 ZINC000432527100 387799938 /nfs/dbraw/zinc/79/99/38/387799938.db2.gz NYFRLVKBFVJLOB-UTLUCORTSA-N 2 1 227.308 -0.911 20 0 BBADMP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000432527542 387799601 /nfs/dbraw/zinc/79/96/01/387799601.db2.gz RCZFMOCBPZKDKE-GARJFASQSA-N 2 1 239.319 -0.984 20 0 BBADMP C[C@](C[NH3+])([NH2+]CCN1C(=O)CCC1=O)C1CC1 ZINC000433494023 201186789 /nfs/dbraw/zinc/18/67/89/201186789.db2.gz PHTKCVJDBAYJBH-GFCCVEGCSA-N 2 1 239.319 -0.148 20 0 BBADMP C[C@@](C[NH3+])([NH2+]CCN1C(=O)CCC1=O)C1CC1 ZINC000433494024 201186851 /nfs/dbraw/zinc/18/68/51/201186851.db2.gz PHTKCVJDBAYJBH-LBPRGKRZSA-N 2 1 239.319 -0.148 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC(=O)CC[C@@H](C)[NH3+])C1 ZINC000434684035 201233526 /nfs/dbraw/zinc/23/35/26/201233526.db2.gz GTVGKOAJMNXJMI-GHMZBOCLSA-N 2 1 243.351 -0.049 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)CC[C@@H](C)[NH3+])C1 ZINC000434684036 201233779 /nfs/dbraw/zinc/23/37/79/201233779.db2.gz GTVGKOAJMNXJMI-MNOVXSKESA-N 2 1 243.351 -0.049 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)CC[C@H](C)[NH3+])C1 ZINC000434684037 201234096 /nfs/dbraw/zinc/23/40/96/201234096.db2.gz GTVGKOAJMNXJMI-QWRGUYRKSA-N 2 1 243.351 -0.049 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC(=O)CC[C@H](C)[NH3+])C1 ZINC000434684038 201233700 /nfs/dbraw/zinc/23/37/00/201233700.db2.gz GTVGKOAJMNXJMI-WDEREUQCSA-N 2 1 243.351 -0.049 20 0 BBADMP C[NH2+]CCCN1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000435872688 201291830 /nfs/dbraw/zinc/29/18/30/201291830.db2.gz PXKWXVIQWHKWEG-NEPJUHHUSA-N 2 1 229.368 -0.017 20 0 BBADMP C[NH2+]CCCN1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000435872689 201292606 /nfs/dbraw/zinc/29/26/06/201292606.db2.gz PXKWXVIQWHKWEG-NWDGAFQWSA-N 2 1 229.368 -0.017 20 0 BBADMP C[NH2+]CCCN1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000435872690 201291469 /nfs/dbraw/zinc/29/14/69/201291469.db2.gz PXKWXVIQWHKWEG-RYUDHWBXSA-N 2 1 229.368 -0.017 20 0 BBADMP C[NH2+]CCCN1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000435872691 201293717 /nfs/dbraw/zinc/29/37/17/201293717.db2.gz PXKWXVIQWHKWEG-VXGBXAGGSA-N 2 1 229.368 -0.017 20 0 BBADMP C[NH2+]CCC[N@@H+](CCO)CCN1CCOCC1 ZINC000435881225 488185839 /nfs/dbraw/zinc/18/58/39/488185839.db2.gz OHRQSPRPTJFLSY-UHFFFAOYSA-N 2 1 245.367 -0.778 20 0 BBADMP C[NH2+]CCC[N@H+](CCO)CCN1CCOCC1 ZINC000435881225 488185834 /nfs/dbraw/zinc/18/58/34/488185834.db2.gz OHRQSPRPTJFLSY-UHFFFAOYSA-N 2 1 245.367 -0.778 20 0 BBADMP COCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436062734 201309061 /nfs/dbraw/zinc/30/90/61/201309061.db2.gz WUTIYLQDBYVZDJ-LLVKDONJSA-N 2 1 243.351 -0.048 20 0 BBADMP COCC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436062735 201309225 /nfs/dbraw/zinc/30/92/25/201309225.db2.gz WUTIYLQDBYVZDJ-NSHDSACASA-N 2 1 243.351 -0.048 20 0 BBADMP Cc1cc(NC[C@]2(O)CC[N@H+](C)C2)nc(C)[nH+]1 ZINC000436454058 537916217 /nfs/dbraw/zinc/91/62/17/537916217.db2.gz QMCJBZKIFYHJEW-GFCCVEGCSA-N 2 1 236.319 -0.006 20 0 BBADMP Cc1cc(NC[C@]2(O)CC[N@@H+](C)C2)nc(C)[nH+]1 ZINC000436454058 537916212 /nfs/dbraw/zinc/91/62/12/537916212.db2.gz QMCJBZKIFYHJEW-GFCCVEGCSA-N 2 1 236.319 -0.006 20 0 BBADMP Cc1cc(NC[C@@]2(O)CC[N@H+](C)C2)nc(C)[nH+]1 ZINC000436454066 537916138 /nfs/dbraw/zinc/91/61/38/537916138.db2.gz QMCJBZKIFYHJEW-LBPRGKRZSA-N 2 1 236.319 -0.006 20 0 BBADMP Cc1cc(NC[C@@]2(O)CC[N@@H+](C)C2)nc(C)[nH+]1 ZINC000436454066 537916133 /nfs/dbraw/zinc/91/61/33/537916133.db2.gz QMCJBZKIFYHJEW-LBPRGKRZSA-N 2 1 236.319 -0.006 20 0 BBADMP CC[C@H](Cn1cncn1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000438826271 201421555 /nfs/dbraw/zinc/42/15/55/201421555.db2.gz CECNSRXYOYWBNC-GHMZBOCLSA-N 2 1 241.339 -0.431 20 0 BBADMP CC[C@H](Cn1cncn1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000438826272 387955653 /nfs/dbraw/zinc/95/56/53/387955653.db2.gz CECNSRXYOYWBNC-MNOVXSKESA-N 2 1 241.339 -0.431 20 0 BBADMP CC[C@@H](Cn1cncn1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000438826273 387957040 /nfs/dbraw/zinc/95/70/40/387957040.db2.gz CECNSRXYOYWBNC-QWRGUYRKSA-N 2 1 241.339 -0.431 20 0 BBADMP CC[C@@H](Cn1cncn1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000438826274 387956938 /nfs/dbraw/zinc/95/69/38/387956938.db2.gz CECNSRXYOYWBNC-WDEREUQCSA-N 2 1 241.339 -0.431 20 0 BBADMP C[NH2+]CC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000440571766 388055369 /nfs/dbraw/zinc/05/53/69/388055369.db2.gz NUNDWDRLSXNZQP-UHFFFAOYSA-N 2 1 242.367 -0.698 20 0 BBADMP [NH3+]CC[C@H]1CCCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000442628288 387810738 /nfs/dbraw/zinc/81/07/38/387810738.db2.gz XTMDYBJCYMXWPW-GHMZBOCLSA-N 2 1 241.335 -0.438 20 0 BBADMP [NH3+]CC[C@H]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000442628290 387810157 /nfs/dbraw/zinc/81/01/57/387810157.db2.gz XTMDYBJCYMXWPW-MNOVXSKESA-N 2 1 241.335 -0.438 20 0 BBADMP [NH3+]CC[C@@H]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000442628291 387810870 /nfs/dbraw/zinc/81/08/70/387810870.db2.gz XTMDYBJCYMXWPW-QWRGUYRKSA-N 2 1 241.335 -0.438 20 0 BBADMP [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000442628293 387809894 /nfs/dbraw/zinc/80/98/94/387809894.db2.gz XTMDYBJCYMXWPW-WDEREUQCSA-N 2 1 241.335 -0.438 20 0 BBADMP COCC[N@H+]1CCN(C[C@@H](C)[NH3+])C[C@H]1C ZINC000442653755 387814564 /nfs/dbraw/zinc/81/45/64/387814564.db2.gz AFKSDOAKWVZUBD-GHMZBOCLSA-N 2 1 215.341 -0.014 20 0 BBADMP COCC[N@H+]1CCN(C[C@@H](C)[NH3+])C[C@@H]1C ZINC000442653758 387814112 /nfs/dbraw/zinc/81/41/12/387814112.db2.gz AFKSDOAKWVZUBD-MNOVXSKESA-N 2 1 215.341 -0.014 20 0 BBADMP COCC[N@H+]1CCN(C[C@H](C)[NH3+])C[C@@H]1C ZINC000442653760 387812291 /nfs/dbraw/zinc/81/22/91/387812291.db2.gz AFKSDOAKWVZUBD-QWRGUYRKSA-N 2 1 215.341 -0.014 20 0 BBADMP COCC[N@H+]1CCN(C[C@H](C)[NH3+])C[C@H]1C ZINC000442653762 387812936 /nfs/dbraw/zinc/81/29/36/387812936.db2.gz AFKSDOAKWVZUBD-WDEREUQCSA-N 2 1 215.341 -0.014 20 0 BBADMP C[C@H]([NH3+])CN1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000442656136 387814805 /nfs/dbraw/zinc/81/48/05/387814805.db2.gz DSMBZJVTJWIFMA-AXFHLTTASA-N 2 1 215.341 -0.280 20 0 BBADMP C[C@H]([NH3+])CN1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000442656138 387815064 /nfs/dbraw/zinc/81/50/64/387815064.db2.gz DSMBZJVTJWIFMA-DCAQKATOSA-N 2 1 215.341 -0.280 20 0 BBADMP C[C@@H](O)C[N@@H+]1CCN(C[C@H](C)[NH3+])C[C@@H]1C ZINC000442656139 387815150 /nfs/dbraw/zinc/81/51/50/387815150.db2.gz DSMBZJVTJWIFMA-GARJFASQSA-N 2 1 215.341 -0.280 20 0 BBADMP C[C@@H](O)C[N@@H+]1CCN(C[C@H](C)[NH3+])C[C@H]1C ZINC000442656140 387814047 /nfs/dbraw/zinc/81/40/47/387814047.db2.gz DSMBZJVTJWIFMA-HBNTYKKESA-N 2 1 215.341 -0.280 20 0 BBADMP C[C@H]([NH3+])CN1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000442663883 386412919 /nfs/dbraw/zinc/41/29/19/386412919.db2.gz IRHKRSYFGSGUAL-GRYCIOLGSA-N 2 1 227.352 -0.014 20 0 BBADMP C[C@H]([NH3+])CN1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000442663886 386413753 /nfs/dbraw/zinc/41/37/53/386413753.db2.gz IRHKRSYFGSGUAL-SDDRHHMPSA-N 2 1 227.352 -0.014 20 0 BBADMP C[C@H]([NH3+])CN1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000442663888 386412639 /nfs/dbraw/zinc/41/26/39/386412639.db2.gz IRHKRSYFGSGUAL-SRVKXCTJSA-N 2 1 227.352 -0.014 20 0 BBADMP C[C@H]([NH3+])CN1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000442663890 386412534 /nfs/dbraw/zinc/41/25/34/386412534.db2.gz IRHKRSYFGSGUAL-WOPDTQHZSA-N 2 1 227.352 -0.014 20 0 BBADMP CCOCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442766249 386643250 /nfs/dbraw/zinc/64/32/50/386643250.db2.gz NSOJTIRGYGBXFT-GHMZBOCLSA-N 2 1 243.351 -0.192 20 0 BBADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442766249 386643243 /nfs/dbraw/zinc/64/32/43/386643243.db2.gz NSOJTIRGYGBXFT-GHMZBOCLSA-N 2 1 243.351 -0.192 20 0 BBADMP CCOCCNC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442766251 386642887 /nfs/dbraw/zinc/64/28/87/386642887.db2.gz NSOJTIRGYGBXFT-MNOVXSKESA-N 2 1 243.351 -0.192 20 0 BBADMP CCOCCNC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442766251 386642882 /nfs/dbraw/zinc/64/28/82/386642882.db2.gz NSOJTIRGYGBXFT-MNOVXSKESA-N 2 1 243.351 -0.192 20 0 BBADMP CCOCCNC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442766252 386644469 /nfs/dbraw/zinc/64/44/69/386644469.db2.gz NSOJTIRGYGBXFT-QWRGUYRKSA-N 2 1 243.351 -0.192 20 0 BBADMP CCOCCNC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442766252 386644462 /nfs/dbraw/zinc/64/44/62/386644462.db2.gz NSOJTIRGYGBXFT-QWRGUYRKSA-N 2 1 243.351 -0.192 20 0 BBADMP CCOCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442766254 386644221 /nfs/dbraw/zinc/64/42/21/386644221.db2.gz NSOJTIRGYGBXFT-WDEREUQCSA-N 2 1 243.351 -0.192 20 0 BBADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442766254 386644218 /nfs/dbraw/zinc/64/42/18/386644218.db2.gz NSOJTIRGYGBXFT-WDEREUQCSA-N 2 1 243.351 -0.192 20 0 BBADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442769655 387837396 /nfs/dbraw/zinc/83/73/96/387837396.db2.gz WGPLZJKLDYFZSD-NXEZZACHSA-N 2 1 249.380 -0.405 20 0 BBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442769655 387837394 /nfs/dbraw/zinc/83/73/94/387837394.db2.gz WGPLZJKLDYFZSD-NXEZZACHSA-N 2 1 249.380 -0.405 20 0 BBADMP CCS(=O)(=O)NCC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442769656 387837259 /nfs/dbraw/zinc/83/72/59/387837259.db2.gz WGPLZJKLDYFZSD-UWVGGRQHSA-N 2 1 249.380 -0.405 20 0 BBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442769656 387837257 /nfs/dbraw/zinc/83/72/57/387837257.db2.gz WGPLZJKLDYFZSD-UWVGGRQHSA-N 2 1 249.380 -0.405 20 0 BBADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442769657 387837508 /nfs/dbraw/zinc/83/75/08/387837508.db2.gz WGPLZJKLDYFZSD-VHSXEESVSA-N 2 1 249.380 -0.405 20 0 BBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442769657 387837506 /nfs/dbraw/zinc/83/75/06/387837506.db2.gz WGPLZJKLDYFZSD-VHSXEESVSA-N 2 1 249.380 -0.405 20 0 BBADMP CCS(=O)(=O)NCC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442769658 387836643 /nfs/dbraw/zinc/83/66/43/387836643.db2.gz WGPLZJKLDYFZSD-ZJUUUORDSA-N 2 1 249.380 -0.405 20 0 BBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442769658 387836641 /nfs/dbraw/zinc/83/66/41/387836641.db2.gz WGPLZJKLDYFZSD-ZJUUUORDSA-N 2 1 249.380 -0.405 20 0 BBADMP CNS(=O)(=O)CCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442777694 387837874 /nfs/dbraw/zinc/83/78/74/387837874.db2.gz JPSVFVQARITNKX-NXEZZACHSA-N 2 1 249.380 -0.405 20 0 BBADMP CNS(=O)(=O)CCC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442777696 387836786 /nfs/dbraw/zinc/83/67/86/387836786.db2.gz JPSVFVQARITNKX-UWVGGRQHSA-N 2 1 249.380 -0.405 20 0 BBADMP CNS(=O)(=O)CCC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442777697 387836705 /nfs/dbraw/zinc/83/67/05/387836705.db2.gz JPSVFVQARITNKX-VHSXEESVSA-N 2 1 249.380 -0.405 20 0 BBADMP CNS(=O)(=O)CCC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442777699 387836673 /nfs/dbraw/zinc/83/66/73/387836673.db2.gz JPSVFVQARITNKX-ZJUUUORDSA-N 2 1 249.380 -0.405 20 0 BBADMP C[N@H+]1CCN(CCNC(N)=[NH2+])CC1(C)C ZINC000443033720 193011194 /nfs/dbraw/zinc/01/11/94/193011194.db2.gz PAOVYGUJAZWHEJ-UHFFFAOYSA-N 2 1 213.329 -0.505 20 0 BBADMP CS(=O)(=O)NCC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443061688 193012821 /nfs/dbraw/zinc/01/28/21/193012821.db2.gz SEDYDVVQNMSAQP-JTQLQIEISA-N 2 1 249.380 -0.404 20 0 BBADMP CS(=O)(=O)NCC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443061689 193012374 /nfs/dbraw/zinc/01/23/74/193012374.db2.gz SEDYDVVQNMSAQP-SNVBAGLBSA-N 2 1 249.380 -0.404 20 0 BBADMP CN(CC[NH+](C)C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000443222619 193015765 /nfs/dbraw/zinc/01/57/65/193015765.db2.gz DRVHHKYUCVIUCQ-JTQLQIEISA-N 2 1 229.324 -0.663 20 0 BBADMP CN(CC[NH+](C)C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000443222619 193015763 /nfs/dbraw/zinc/01/57/63/193015763.db2.gz DRVHHKYUCVIUCQ-JTQLQIEISA-N 2 1 229.324 -0.663 20 0 BBADMP CN(CC[NH+](C)C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000443222620 193016567 /nfs/dbraw/zinc/01/65/67/193016567.db2.gz DRVHHKYUCVIUCQ-SNVBAGLBSA-N 2 1 229.324 -0.663 20 0 BBADMP CN(CC[NH+](C)C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000443222620 193016564 /nfs/dbraw/zinc/01/65/64/193016564.db2.gz DRVHHKYUCVIUCQ-SNVBAGLBSA-N 2 1 229.324 -0.663 20 0 BBADMP CN(C)c1[nH+]cc(CNC(=O)[C@H]2CC[NH2+]2)n1C ZINC000444164378 193038664 /nfs/dbraw/zinc/03/86/64/193038664.db2.gz FLIZJKAPXQEQAC-SECBINFHSA-N 2 1 237.307 -0.536 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH2+]2)C1 ZINC000444166338 193039685 /nfs/dbraw/zinc/03/96/85/193039685.db2.gz BCBVHMXUKACEDU-NXEZZACHSA-N 2 1 227.308 -0.815 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+]2)C1 ZINC000444166339 193039988 /nfs/dbraw/zinc/03/99/88/193039988.db2.gz BCBVHMXUKACEDU-VHSXEESVSA-N 2 1 227.308 -0.815 20 0 BBADMP C[C@H](CNC(=O)[C@H]1CC[NH2+]1)C[NH+]1CCOCC1 ZINC000444168644 193039550 /nfs/dbraw/zinc/03/95/50/193039550.db2.gz IIFQWWHVWKOAIM-GHMZBOCLSA-N 2 1 241.335 -0.567 20 0 BBADMP C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)C[NH+]1CCOCC1 ZINC000444168645 193040417 /nfs/dbraw/zinc/04/04/17/193040417.db2.gz IIFQWWHVWKOAIM-WDEREUQCSA-N 2 1 241.335 -0.567 20 0 BBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CC[NH2+]2)C[C@@H]1C ZINC000444169220 193039897 /nfs/dbraw/zinc/03/98/97/193039897.db2.gz PFZNPCWURLEJJA-GARJFASQSA-N 2 1 241.335 -0.738 20 0 BBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CC[NH2+]2)C[C@@H]1C ZINC000444169220 193039894 /nfs/dbraw/zinc/03/98/94/193039894.db2.gz PFZNPCWURLEJJA-GARJFASQSA-N 2 1 241.335 -0.738 20 0 BBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@H]2CC[NH2+]2)C[C@H]1C ZINC000444169221 193040661 /nfs/dbraw/zinc/04/06/61/193040661.db2.gz PFZNPCWURLEJJA-GMTAPVOTSA-N 2 1 241.335 -0.738 20 0 BBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CC[NH2+]2)C[C@H]1C ZINC000444169221 193040658 /nfs/dbraw/zinc/04/06/58/193040658.db2.gz PFZNPCWURLEJJA-GMTAPVOTSA-N 2 1 241.335 -0.738 20 0 BBADMP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@H]2CC[NH2+]2)C[C@@H]1C ZINC000444169222 193039946 /nfs/dbraw/zinc/03/99/46/193039946.db2.gz PFZNPCWURLEJJA-HBNTYKKESA-N 2 1 241.335 -0.738 20 0 BBADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CC[NH2+]2)C[C@@H]1C ZINC000444169222 193039943 /nfs/dbraw/zinc/03/99/43/193039943.db2.gz PFZNPCWURLEJJA-HBNTYKKESA-N 2 1 241.335 -0.738 20 0 BBADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CC[NH2+]2)C[C@H]1C ZINC000444169224 193039775 /nfs/dbraw/zinc/03/97/75/193039775.db2.gz PFZNPCWURLEJJA-OUAUKWLOSA-N 2 1 241.335 -0.738 20 0 BBADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CC[NH2+]2)C[C@H]1C ZINC000444169224 193039774 /nfs/dbraw/zinc/03/97/74/193039774.db2.gz PFZNPCWURLEJJA-OUAUKWLOSA-N 2 1 241.335 -0.738 20 0 BBADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1CC[NH2+]1 ZINC000444169829 193039297 /nfs/dbraw/zinc/03/92/97/193039297.db2.gz KZLLFUWLMPOOMA-GHMZBOCLSA-N 2 1 241.335 -0.425 20 0 BBADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1CC[NH2+]1 ZINC000444169830 193040500 /nfs/dbraw/zinc/04/05/00/193040500.db2.gz KZLLFUWLMPOOMA-WDEREUQCSA-N 2 1 241.335 -0.425 20 0 BBADMP C[C@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000444172861 193039570 /nfs/dbraw/zinc/03/95/70/193039570.db2.gz BILWTFGCHWHIPQ-GARJFASQSA-N 2 1 241.335 -0.426 20 0 BBADMP C[C@H]1C[C@H](NC(=O)[C@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000444172862 193039148 /nfs/dbraw/zinc/03/91/48/193039148.db2.gz BILWTFGCHWHIPQ-HBNTYKKESA-N 2 1 241.335 -0.426 20 0 BBADMP C[C@H]1C[C@H](NC(=O)[C@H]2CC[NH2+]2)CC[N@H+]1C ZINC000444176240 193040134 /nfs/dbraw/zinc/04/01/34/193040134.db2.gz OKTSOECUSCFFNO-IVZWLZJFSA-N 2 1 211.309 -0.053 20 0 BBADMP C[C@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+]2)CC[N@H+]1C ZINC000444176241 193039558 /nfs/dbraw/zinc/03/95/58/193039558.db2.gz OKTSOECUSCFFNO-LPEHRKFASA-N 2 1 211.309 -0.053 20 0 BBADMP COCC[N@@H+](C)CCCNC(=O)[C@H]1CC[NH2+]1 ZINC000444182705 193040523 /nfs/dbraw/zinc/04/05/23/193040523.db2.gz LTNDZECXWFZUJN-SNVBAGLBSA-N 2 1 229.324 -0.567 20 0 BBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH2+]1 ZINC000444191668 193041165 /nfs/dbraw/zinc/04/11/65/193041165.db2.gz XVGUFVZHZHKOCY-GHMZBOCLSA-N 2 1 241.335 -0.425 20 0 BBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH2+]1 ZINC000444191670 193040175 /nfs/dbraw/zinc/04/01/75/193040175.db2.gz XVGUFVZHZHKOCY-WDEREUQCSA-N 2 1 241.335 -0.425 20 0 BBADMP O=C(NCC[C@H]1CCC[NH2+]1)[C@H]1COCC[NH2+]1 ZINC000444269058 193043685 /nfs/dbraw/zinc/04/36/85/193043685.db2.gz WNPLGGNCAKULAS-NXEZZACHSA-N 2 1 227.308 -0.767 20 0 BBADMP O=C(NCC[C@H]1CCC[NH2+]1)[C@@H]1COCC[NH2+]1 ZINC000444269059 193043485 /nfs/dbraw/zinc/04/34/85/193043485.db2.gz WNPLGGNCAKULAS-ZJUUUORDSA-N 2 1 227.308 -0.767 20 0 BBADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1CC[NH2+]1 ZINC000444270326 193042659 /nfs/dbraw/zinc/04/26/59/193042659.db2.gz OSUIOFTUHBNTGT-SNVBAGLBSA-N 2 1 229.324 -0.567 20 0 BBADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000444690736 387911566 /nfs/dbraw/zinc/91/15/66/387911566.db2.gz AWKSMWSXKHPDEU-GARJFASQSA-N 2 1 214.309 -0.492 20 0 BBADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000444690736 387911565 /nfs/dbraw/zinc/91/15/65/387911565.db2.gz AWKSMWSXKHPDEU-GARJFASQSA-N 2 1 214.309 -0.492 20 0 BBADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@@H](O)[C@@H](O)C1 ZINC000444690736 387911561 /nfs/dbraw/zinc/91/15/61/387911561.db2.gz AWKSMWSXKHPDEU-GARJFASQSA-N 2 1 214.309 -0.492 20 0 BBADMP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@@H](O)[C@@H](O)C1 ZINC000444690736 387911558 /nfs/dbraw/zinc/91/15/58/387911558.db2.gz AWKSMWSXKHPDEU-GARJFASQSA-N 2 1 214.309 -0.492 20 0 BBADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000444690837 387910346 /nfs/dbraw/zinc/91/03/46/387910346.db2.gz AWKSMWSXKHPDEU-GMTAPVOTSA-N 2 1 214.309 -0.492 20 0 BBADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000444690837 387910342 /nfs/dbraw/zinc/91/03/42/387910342.db2.gz AWKSMWSXKHPDEU-GMTAPVOTSA-N 2 1 214.309 -0.492 20 0 BBADMP C[N@H+]1CCC[C@@H]1CCN1C[C@@H](O)[C@H](O)C1 ZINC000444690837 387910339 /nfs/dbraw/zinc/91/03/39/387910339.db2.gz AWKSMWSXKHPDEU-GMTAPVOTSA-N 2 1 214.309 -0.492 20 0 BBADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000444690838 387911639 /nfs/dbraw/zinc/91/16/39/387911639.db2.gz AWKSMWSXKHPDEU-MXWKQRLJSA-N 2 1 214.309 -0.492 20 0 BBADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000444690838 387911634 /nfs/dbraw/zinc/91/16/34/387911634.db2.gz AWKSMWSXKHPDEU-MXWKQRLJSA-N 2 1 214.309 -0.492 20 0 BBADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](O)[C@@H](O)C1 ZINC000444690838 387911632 /nfs/dbraw/zinc/91/16/32/387911632.db2.gz AWKSMWSXKHPDEU-MXWKQRLJSA-N 2 1 214.309 -0.492 20 0 BBADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](O)[C@@H](O)C1 ZINC000444690838 387911628 /nfs/dbraw/zinc/91/16/28/387911628.db2.gz AWKSMWSXKHPDEU-MXWKQRLJSA-N 2 1 214.309 -0.492 20 0 BBADMP C[N@H+]1CCC[C@@H]1CCN1C[C@@H](O)[C@@H](O)C1 ZINC000444690838 387911624 /nfs/dbraw/zinc/91/16/24/387911624.db2.gz AWKSMWSXKHPDEU-MXWKQRLJSA-N 2 1 214.309 -0.492 20 0 BBADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000444690839 387905865 /nfs/dbraw/zinc/90/58/65/387905865.db2.gz AWKSMWSXKHPDEU-VWYCJHECSA-N 2 1 214.309 -0.492 20 0 BBADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000444690839 387905862 /nfs/dbraw/zinc/90/58/62/387905862.db2.gz AWKSMWSXKHPDEU-VWYCJHECSA-N 2 1 214.309 -0.492 20 0 BBADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000446271277 206090578 /nfs/dbraw/zinc/09/05/78/206090578.db2.gz JTFSBXVFESKUBT-KXUCPTDWSA-N 2 1 229.299 -0.246 20 0 BBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000446271278 388009228 /nfs/dbraw/zinc/00/92/28/388009228.db2.gz JTFSBXVFESKUBT-LPEHRKFASA-N 2 1 229.299 -0.246 20 0 BBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446364717 388016122 /nfs/dbraw/zinc/01/61/22/388016122.db2.gz UJMHTJTXDBPQFV-KXUCPTDWSA-N 2 1 229.299 -0.151 20 0 BBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446364717 388016117 /nfs/dbraw/zinc/01/61/17/388016117.db2.gz UJMHTJTXDBPQFV-KXUCPTDWSA-N 2 1 229.299 -0.151 20 0 BBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446364718 388016731 /nfs/dbraw/zinc/01/67/31/388016731.db2.gz UJMHTJTXDBPQFV-LPEHRKFASA-N 2 1 229.299 -0.151 20 0 BBADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446364718 388016729 /nfs/dbraw/zinc/01/67/29/388016729.db2.gz UJMHTJTXDBPQFV-LPEHRKFASA-N 2 1 229.299 -0.151 20 0 BBADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2COCC[NH2+]2)CC[NH2+]1 ZINC000447518642 388075451 /nfs/dbraw/zinc/07/54/51/388075451.db2.gz ONOSUTKYAHXBPR-BBBLOLIVSA-N 2 1 227.308 -0.769 20 0 BBADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2COCC[NH2+]2)CC[NH2+]1 ZINC000447518644 388076152 /nfs/dbraw/zinc/07/61/52/388076152.db2.gz ONOSUTKYAHXBPR-KXUCPTDWSA-N 2 1 227.308 -0.769 20 0 BBADMP C[C@@H]1C[C@H](NC(=O)[C@H]2COCC[NH2+]2)CC[NH2+]1 ZINC000447518645 388075459 /nfs/dbraw/zinc/07/54/59/388075459.db2.gz ONOSUTKYAHXBPR-OPRDCNLKSA-N 2 1 227.308 -0.769 20 0 BBADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2COCC[NH2+]2)CC[NH2+]1 ZINC000447518647 388075784 /nfs/dbraw/zinc/07/57/84/388075784.db2.gz ONOSUTKYAHXBPR-UTLUCORTSA-N 2 1 227.308 -0.769 20 0 BBADMP C[C@H]([NH2+]C1CC1)C(=O)NCC(F)(F)C[NH3+] ZINC000449397386 384174655 /nfs/dbraw/zinc/17/46/55/384174655.db2.gz PZKZWZRSVNSHQF-LURJTMIESA-N 2 1 221.251 -0.163 20 0 BBADMP C[C@@H]([NH2+]C1CC1)C(=O)NCC(F)(F)C[NH3+] ZINC000449397387 384174557 /nfs/dbraw/zinc/17/45/57/384174557.db2.gz PZKZWZRSVNSHQF-ZCFIWIBFSA-N 2 1 221.251 -0.163 20 0 BBADMP CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449574704 388236664 /nfs/dbraw/zinc/23/66/64/388236664.db2.gz VUOBPYFMAHQQLI-JZYVYDRUSA-N 2 1 211.309 -0.338 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C2CC([NH3+])C2)C1 ZINC000449637214 388247010 /nfs/dbraw/zinc/24/70/10/388247010.db2.gz YUULYFZVXCZIDH-ILDUYXDCSA-N 2 1 241.335 -0.345 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CC([NH3+])C2)C1 ZINC000449637214 388247007 /nfs/dbraw/zinc/24/70/07/388247007.db2.gz YUULYFZVXCZIDH-ILDUYXDCSA-N 2 1 241.335 -0.345 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH3+])C2)C1 ZINC000449637215 388246964 /nfs/dbraw/zinc/24/69/64/388246964.db2.gz YUULYFZVXCZIDH-VQXHTEKXSA-N 2 1 241.335 -0.345 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH3+])C2)C1 ZINC000449637215 388246963 /nfs/dbraw/zinc/24/69/63/388246963.db2.gz YUULYFZVXCZIDH-VQXHTEKXSA-N 2 1 241.335 -0.345 20 0 BBADMP C[NH+](C)C[C@H]1CC[N@H+]([C@@H]2COC[C@H]2O)C1 ZINC000463082372 388087527 /nfs/dbraw/zinc/08/75/27/388087527.db2.gz MVZMZRLXOPKVCL-GMTAPVOTSA-N 2 1 214.309 -0.370 20 0 BBADMP C[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2COC[C@H]2O)C1 ZINC000463082372 388087523 /nfs/dbraw/zinc/08/75/23/388087523.db2.gz MVZMZRLXOPKVCL-GMTAPVOTSA-N 2 1 214.309 -0.370 20 0 BBADMP C[NH+](C)C[C@H]1CC[N@H+]([C@H]2COC[C@H]2O)C1 ZINC000463082373 388086952 /nfs/dbraw/zinc/08/69/52/388086952.db2.gz MVZMZRLXOPKVCL-OUAUKWLOSA-N 2 1 214.309 -0.370 20 0 BBADMP C[NH+](C)C[C@H]1CC[N@@H+]([C@H]2COC[C@H]2O)C1 ZINC000463082373 388086949 /nfs/dbraw/zinc/08/69/49/388086949.db2.gz MVZMZRLXOPKVCL-OUAUKWLOSA-N 2 1 214.309 -0.370 20 0 BBADMP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000479272453 534643199 /nfs/dbraw/zinc/64/31/99/534643199.db2.gz RCZFMOCBPZKDKE-HBNTYKKESA-N 2 1 239.319 -0.984 20 0 BBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000479277149 534809721 /nfs/dbraw/zinc/80/97/21/534809721.db2.gz CPLACDYLIFCCHG-JMJZKYOTSA-N 2 1 239.319 -0.938 20 0 BBADMP NC(=[NH2+])NCCCC[N@H+]1CCC[C@@H]1CO ZINC000479313476 225179228 /nfs/dbraw/zinc/17/92/28/225179228.db2.gz VHDKBZADHGOXKI-SECBINFHSA-N 2 1 214.313 -0.294 20 0 BBADMP NC(=[NH2+])NCCCC[N@H+]1CCC[C@H]1CO ZINC000479313481 225179852 /nfs/dbraw/zinc/17/98/52/225179852.db2.gz VHDKBZADHGOXKI-VIFPVBQESA-N 2 1 214.313 -0.294 20 0 BBADMP C[NH2+]C[C@@H](C)CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000488511663 388183521 /nfs/dbraw/zinc/18/35/21/388183521.db2.gz FFKAHARCXSFCAO-BBBLOLIVSA-N 2 1 229.324 -0.665 20 0 BBADMP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000488528158 388184725 /nfs/dbraw/zinc/18/47/25/388184725.db2.gz KSKKAHINSMADOM-UTLUCORTSA-N 2 1 229.324 -0.537 20 0 BBADMP CCCC[C@@H](C[NH3+])NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000488553778 388186894 /nfs/dbraw/zinc/18/68/94/388186894.db2.gz MBFKXDRCWXRZBB-VWYCJHECSA-N 2 1 243.351 -0.003 20 0 BBADMP C[NH+](C)C/C=C\C(=O)N1CC[NH+](C)CC1 ZINC000491648357 388307877 /nfs/dbraw/zinc/30/78/77/388307877.db2.gz ZUKPVUFZZVBRMW-PLNGDYQASA-N 2 1 211.309 -0.122 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)/C=C\C[NH+](C)C ZINC000491909139 388327081 /nfs/dbraw/zinc/32/70/81/388327081.db2.gz WMQNXWXEGIXZSB-WAYWQWQTSA-N 2 1 243.351 -0.201 20 0 BBADMP CC[N@@H+](CCO)CCNC(=O)/C=C\C[NH+](C)C ZINC000492597023 528530308 /nfs/dbraw/zinc/53/03/08/528530308.db2.gz QTXVWNPWYVCKKE-WAYWQWQTSA-N 2 1 243.351 -0.465 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[C@@H](C)[NH3+])C1 ZINC000493992941 532983537 /nfs/dbraw/zinc/98/35/37/532983537.db2.gz RHMQHXVBOWQBJN-AXFHLTTASA-N 2 1 243.351 -0.193 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])C1 ZINC000493992942 532984073 /nfs/dbraw/zinc/98/40/73/532984073.db2.gz RHMQHXVBOWQBJN-DCAQKATOSA-N 2 1 243.351 -0.193 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H](C)[C@@H](C)[NH3+])C1 ZINC000493992943 532985488 /nfs/dbraw/zinc/98/54/88/532985488.db2.gz RHMQHXVBOWQBJN-MXWKQRLJSA-N 2 1 243.351 -0.193 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H](C)[C@H](C)[NH3+])C1 ZINC000493992944 532985382 /nfs/dbraw/zinc/98/53/82/532985382.db2.gz RHMQHXVBOWQBJN-VWYCJHECSA-N 2 1 243.351 -0.193 20 0 BBADMP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000494298618 226263766 /nfs/dbraw/zinc/26/37/66/226263766.db2.gz PJPHRSNDKGMPRS-AXFHLTTASA-N 2 1 243.351 -0.180 20 0 BBADMP C[C@@H](CCCC[NH3+])NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000494649553 226267575 /nfs/dbraw/zinc/26/75/75/226267575.db2.gz BNNJTTPQIYDOHO-AXFHLTTASA-N 2 1 243.351 -0.003 20 0 BBADMP C[C@H](CCCC[NH3+])NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000494649554 533842520 /nfs/dbraw/zinc/84/25/20/533842520.db2.gz BNNJTTPQIYDOHO-MXWKQRLJSA-N 2 1 243.351 -0.003 20 0 BBADMP C[C@H](CCCC[NH3+])NC(=O)[C@H]1COCC[NH2+]1 ZINC000494656772 533843699 /nfs/dbraw/zinc/84/36/99/533843699.db2.gz QGKRJCDQPHNFBX-NXEZZACHSA-N 2 1 229.324 -0.392 20 0 BBADMP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1COCC[NH2+]1 ZINC000494656773 533537169 /nfs/dbraw/zinc/53/71/69/533537169.db2.gz QGKRJCDQPHNFBX-UWVGGRQHSA-N 2 1 229.324 -0.392 20 0 BBADMP C[C@@H](CCCC[NH3+])NC(=O)[C@H]1COCC[NH2+]1 ZINC000494656774 226267435 /nfs/dbraw/zinc/26/74/35/226267435.db2.gz QGKRJCDQPHNFBX-VHSXEESVSA-N 2 1 229.324 -0.392 20 0 BBADMP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1COCC[NH2+]1 ZINC000494656775 226267417 /nfs/dbraw/zinc/26/74/17/226267417.db2.gz QGKRJCDQPHNFBX-ZJUUUORDSA-N 2 1 229.324 -0.392 20 0 BBADMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000494887137 226270642 /nfs/dbraw/zinc/27/06/42/226270642.db2.gz BVOIIHOXWHVFRD-AXFHLTTASA-N 2 1 239.319 -0.815 20 0 BBADMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000494887138 226270645 /nfs/dbraw/zinc/27/06/45/226270645.db2.gz BVOIIHOXWHVFRD-DCAQKATOSA-N 2 1 239.319 -0.815 20 0 BBADMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000494887139 226270717 /nfs/dbraw/zinc/27/07/17/226270717.db2.gz BVOIIHOXWHVFRD-MXWKQRLJSA-N 2 1 239.319 -0.815 20 0 BBADMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000494887140 226270802 /nfs/dbraw/zinc/27/08/02/226270802.db2.gz BVOIIHOXWHVFRD-VWYCJHECSA-N 2 1 239.319 -0.815 20 0 BBADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000495048765 226275318 /nfs/dbraw/zinc/27/53/18/226275318.db2.gz JOFUEMOLWMZANH-NXEZZACHSA-N 2 1 243.351 -0.444 20 0 BBADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000495048766 226275264 /nfs/dbraw/zinc/27/52/64/226275264.db2.gz JOFUEMOLWMZANH-UWVGGRQHSA-N 2 1 243.351 -0.444 20 0 BBADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000495048767 226275117 /nfs/dbraw/zinc/27/51/17/226275117.db2.gz JOFUEMOLWMZANH-VHSXEESVSA-N 2 1 243.351 -0.444 20 0 BBADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000495048768 226275060 /nfs/dbraw/zinc/27/50/60/226275060.db2.gz JOFUEMOLWMZANH-ZJUUUORDSA-N 2 1 243.351 -0.444 20 0 BBADMP O=C([C@H]1CC[NH2+]1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000514597252 256680874 /nfs/dbraw/zinc/68/08/74/256680874.db2.gz ARLLCHKNHYJIIH-NEPJUHHUSA-N 2 1 246.314 -0.084 20 0 BBADMP O=C([C@H]1CC[NH2+]1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000514597253 387008359 /nfs/dbraw/zinc/00/83/59/387008359.db2.gz ARLLCHKNHYJIIH-VXGBXAGGSA-N 2 1 246.314 -0.084 20 0 BBADMP CC[N@@H+](CCCO)C[C@@](C)(O)C[NH2+]C ZINC000514608568 387015172 /nfs/dbraw/zinc/01/51/72/387015172.db2.gz WFEPHJIFUONDDO-JTQLQIEISA-N 2 1 204.314 -0.339 20 0 BBADMP CC[N@@H+](CCCO)C[C@](C)(O)C[NH2+]C ZINC000514608569 387014274 /nfs/dbraw/zinc/01/42/74/387014274.db2.gz WFEPHJIFUONDDO-SNVBAGLBSA-N 2 1 204.314 -0.339 20 0 BBADMP CC1CC[NH+](C[C@H](O)C[NH2+]CCC(N)=O)CC1 ZINC000514673074 387922680 /nfs/dbraw/zinc/92/26/80/387922680.db2.gz CKNZIJFAHQTALO-LLVKDONJSA-N 2 1 243.351 -0.456 20 0 BBADMP CC1CC[NH+](C[C@@H](O)C[NH2+]CCC(N)=O)CC1 ZINC000514673075 387922296 /nfs/dbraw/zinc/92/22/96/387922296.db2.gz CKNZIJFAHQTALO-NSHDSACASA-N 2 1 243.351 -0.456 20 0 BBADMP C[C@H](C[NH+]1CCOCC1)N1CCO[C@@H](C[NH3+])C1 ZINC000514727186 387279956 /nfs/dbraw/zinc/27/99/56/387279956.db2.gz NWJHFBMHQOWRMG-NEPJUHHUSA-N 2 1 243.351 -0.633 20 0 BBADMP C[C@@H](C[NH+]1CCOCC1)N1CCO[C@H](C[NH3+])C1 ZINC000514727190 387279886 /nfs/dbraw/zinc/27/98/86/387279886.db2.gz NWJHFBMHQOWRMG-NWDGAFQWSA-N 2 1 243.351 -0.633 20 0 BBADMP C[C@@H](C[NH+]1CCOCC1)N1CCO[C@@H](C[NH3+])C1 ZINC000514727192 387280159 /nfs/dbraw/zinc/28/01/59/387280159.db2.gz NWJHFBMHQOWRMG-RYUDHWBXSA-N 2 1 243.351 -0.633 20 0 BBADMP C[C@H](C[NH+]1CCOCC1)N1CCO[C@H](C[NH3+])C1 ZINC000514727194 387279554 /nfs/dbraw/zinc/27/95/54/387279554.db2.gz NWJHFBMHQOWRMG-VXGBXAGGSA-N 2 1 243.351 -0.633 20 0 BBADMP COC[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000514734581 387282885 /nfs/dbraw/zinc/28/28/85/387282885.db2.gz IDXOXTHWEFJCQQ-AEJSXWLSSA-N 2 1 227.308 -0.735 20 0 BBADMP COC[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000514734581 387282883 /nfs/dbraw/zinc/28/28/83/387282883.db2.gz IDXOXTHWEFJCQQ-AEJSXWLSSA-N 2 1 227.308 -0.735 20 0 BBADMP COC[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000514734582 387282330 /nfs/dbraw/zinc/28/23/30/387282330.db2.gz IDXOXTHWEFJCQQ-GUBZILKMSA-N 2 1 227.308 -0.735 20 0 BBADMP COC[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000514734582 387282327 /nfs/dbraw/zinc/28/23/27/387282327.db2.gz IDXOXTHWEFJCQQ-GUBZILKMSA-N 2 1 227.308 -0.735 20 0 BBADMP COC[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000514734583 387282055 /nfs/dbraw/zinc/28/20/55/387282055.db2.gz IDXOXTHWEFJCQQ-IVZWLZJFSA-N 2 1 227.308 -0.735 20 0 BBADMP COC[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000514734583 387282052 /nfs/dbraw/zinc/28/20/52/387282052.db2.gz IDXOXTHWEFJCQQ-IVZWLZJFSA-N 2 1 227.308 -0.735 20 0 BBADMP COC[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000514734584 387281897 /nfs/dbraw/zinc/28/18/97/387281897.db2.gz IDXOXTHWEFJCQQ-LPEHRKFASA-N 2 1 227.308 -0.735 20 0 BBADMP COC[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000514734584 387281890 /nfs/dbraw/zinc/28/18/90/387281890.db2.gz IDXOXTHWEFJCQQ-LPEHRKFASA-N 2 1 227.308 -0.735 20 0 BBADMP [NH3+]CC(F)(F)CC(=O)N1CC[NH2+]CC1 ZINC000514869846 256723842 /nfs/dbraw/zinc/72/38/42/256723842.db2.gz UTYXUOYLMMSQPL-UHFFFAOYSA-N 2 1 207.224 -0.598 20 0 BBADMP CN(C)C(=O)NCC[N@@H+](C)CCOCC[NH3+] ZINC000515060591 387329638 /nfs/dbraw/zinc/32/96/38/387329638.db2.gz UEPXRCMSMBSRKO-UHFFFAOYSA-N 2 1 232.328 -0.835 20 0 BBADMP C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000515174409 387343024 /nfs/dbraw/zinc/34/30/24/387343024.db2.gz MSIVAQXERBHXNJ-GXSJLCMTSA-N 2 1 234.303 -0.098 20 0 BBADMP C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000515174410 387343199 /nfs/dbraw/zinc/34/31/99/387343199.db2.gz MSIVAQXERBHXNJ-ONGXEEELSA-N 2 1 234.303 -0.098 20 0 BBADMP OC[C@@H]1C[C@H](O)C[N@H+]1CC1CC[NH2+]CC1 ZINC000515176212 387343496 /nfs/dbraw/zinc/34/34/96/387343496.db2.gz DEKVBNKXGGJWJU-QWRGUYRKSA-N 2 1 214.309 -0.587 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CCc1cnccn1 ZINC000515306216 387360359 /nfs/dbraw/zinc/36/03/59/387360359.db2.gz ZFYMCLSCXIPNGA-GFCCVEGCSA-N 2 1 238.335 -0.079 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)CCc1cnccn1 ZINC000515306216 387360355 /nfs/dbraw/zinc/36/03/55/387360355.db2.gz ZFYMCLSCXIPNGA-GFCCVEGCSA-N 2 1 238.335 -0.079 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CCc1cnccn1 ZINC000515306217 387361367 /nfs/dbraw/zinc/36/13/67/387361367.db2.gz ZFYMCLSCXIPNGA-LBPRGKRZSA-N 2 1 238.335 -0.079 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+](C)CCc1cnccn1 ZINC000515306217 387361363 /nfs/dbraw/zinc/36/13/63/387361363.db2.gz ZFYMCLSCXIPNGA-LBPRGKRZSA-N 2 1 238.335 -0.079 20 0 BBADMP [NH3+]CC(F)(F)CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000515307349 387360475 /nfs/dbraw/zinc/36/04/75/387360475.db2.gz PXJFTLZUBADAFT-ZCFIWIBFSA-N 2 1 207.224 -0.470 20 0 BBADMP CO[C@H](C[NH3+])CC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000515351507 256743133 /nfs/dbraw/zinc/74/31/33/256743133.db2.gz IDBPDOUBCWUQFX-GXSJLCMTSA-N 2 1 247.314 -0.490 20 0 BBADMP CO[C@@H](C[NH3+])CC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000515351508 387370570 /nfs/dbraw/zinc/37/05/70/387370570.db2.gz IDBPDOUBCWUQFX-KOLCDFICSA-N 2 1 247.314 -0.490 20 0 BBADMP CO[C@@H](C[NH3+])CC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000515351509 387369776 /nfs/dbraw/zinc/36/97/76/387369776.db2.gz IDBPDOUBCWUQFX-MWLCHTKSSA-N 2 1 247.314 -0.490 20 0 BBADMP CO[C@H](C[NH3+])CC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000515351510 387370489 /nfs/dbraw/zinc/37/04/89/387370489.db2.gz IDBPDOUBCWUQFX-ONGXEEELSA-N 2 1 247.314 -0.490 20 0 BBADMP [NH3+]C1(C(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000515384472 387372721 /nfs/dbraw/zinc/37/27/21/387372721.db2.gz SEEYSXBKQSSEJU-UHFFFAOYSA-N 2 1 227.308 -0.684 20 0 BBADMP [NH3+]C1(C(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000515384472 387372713 /nfs/dbraw/zinc/37/27/13/387372713.db2.gz SEEYSXBKQSSEJU-UHFFFAOYSA-N 2 1 227.308 -0.684 20 0 BBADMP CC[NH+](CC)CCC[NH2+]C(CO)CO ZINC000515497338 256747921 /nfs/dbraw/zinc/74/79/21/256747921.db2.gz XKPLVGHSKXICSI-UHFFFAOYSA-N 2 1 204.314 -0.339 20 0 BBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000515843312 387433759 /nfs/dbraw/zinc/43/37/59/387433759.db2.gz ZZECJAABXKXWJW-LLVKDONJSA-N 2 1 243.351 -0.177 20 0 BBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000515843313 387432636 /nfs/dbraw/zinc/43/26/36/387432636.db2.gz ZZECJAABXKXWJW-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000516062793 387454148 /nfs/dbraw/zinc/45/41/48/387454148.db2.gz GFMXKTZAWGFTIY-PSASIEDQSA-N 2 1 217.288 -0.116 20 0 BBADMP CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000516062798 387453499 /nfs/dbraw/zinc/45/34/99/387453499.db2.gz GFMXKTZAWGFTIY-SCZZXKLOSA-N 2 1 217.288 -0.116 20 0 BBADMP CC[C@@H]([NH3+])CNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000516067940 387453541 /nfs/dbraw/zinc/45/35/41/387453541.db2.gz NJUFBSPIMRXRLG-GHMZBOCLSA-N 2 1 242.367 -0.524 20 0 BBADMP CC[C@H]([NH3+])CNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000516067941 387454257 /nfs/dbraw/zinc/45/42/57/387454257.db2.gz NJUFBSPIMRXRLG-MNOVXSKESA-N 2 1 242.367 -0.524 20 0 BBADMP CC[C@H]([NH3+])CNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000516067942 256763843 /nfs/dbraw/zinc/76/38/43/256763843.db2.gz NJUFBSPIMRXRLG-QWRGUYRKSA-N 2 1 242.367 -0.524 20 0 BBADMP CC[C@@H]([NH3+])CNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000516067943 387453010 /nfs/dbraw/zinc/45/30/10/387453010.db2.gz NJUFBSPIMRXRLG-WDEREUQCSA-N 2 1 242.367 -0.524 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000516179873 387468526 /nfs/dbraw/zinc/46/85/26/387468526.db2.gz KPNUXACFGUPENN-LLVKDONJSA-N 2 1 242.367 -0.572 20 0 BBADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000516296880 387496636 /nfs/dbraw/zinc/49/66/36/387496636.db2.gz LTPGZTLOXSNPDT-PHIMTYICSA-N 2 1 243.351 -0.192 20 0 BBADMP CC[C@H]([NH3+])CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000516651598 323081299 /nfs/dbraw/zinc/08/12/99/323081299.db2.gz GIWHYHUEYHIFRU-BQBZGAKWSA-N 2 1 203.311 -0.498 20 0 BBADMP CC[C@H]([NH3+])CNC(=O)[C@H]1CSC[NH2+]1 ZINC000516651599 323081280 /nfs/dbraw/zinc/08/12/80/323081280.db2.gz GIWHYHUEYHIFRU-NKWVEPMBSA-N 2 1 203.311 -0.498 20 0 BBADMP CC[C@@H]([NH3+])CNC(=O)[C@H]1CSC[NH2+]1 ZINC000516651600 323081322 /nfs/dbraw/zinc/08/13/22/323081322.db2.gz GIWHYHUEYHIFRU-RNFRBKRXSA-N 2 1 203.311 -0.498 20 0 BBADMP CC[C@@H]([NH3+])CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000516651601 323081296 /nfs/dbraw/zinc/08/12/96/323081296.db2.gz GIWHYHUEYHIFRU-RQJHMYQMSA-N 2 1 203.311 -0.498 20 0 BBADMP C[C@@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)[C@H](C)[NH3+] ZINC000516928434 256806978 /nfs/dbraw/zinc/80/69/78/256806978.db2.gz TVPVYSRSIATBQV-AXFHLTTASA-N 2 1 242.367 -0.526 20 0 BBADMP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000516928435 256807505 /nfs/dbraw/zinc/80/75/05/256807505.db2.gz TVPVYSRSIATBQV-DCAQKATOSA-N 2 1 242.367 -0.526 20 0 BBADMP C[C@H](C(=O)N[C@@H](C)[C@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC000516928436 388523392 /nfs/dbraw/zinc/52/33/92/388523392.db2.gz TVPVYSRSIATBQV-GARJFASQSA-N 2 1 242.367 -0.526 20 0 BBADMP C[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)[C@H](C)[NH3+] ZINC000516928437 256806507 /nfs/dbraw/zinc/80/65/07/256806507.db2.gz TVPVYSRSIATBQV-HBNTYKKESA-N 2 1 242.367 -0.526 20 0 BBADMP Cc1[nH+]ccn1CCN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000516948499 388527863 /nfs/dbraw/zinc/52/78/63/388527863.db2.gz JPESZEFYRQUQEE-RYUDHWBXSA-N 2 1 238.335 -0.202 20 0 BBADMP CC[N@@H+](C)CCNC(=O)Cn1ccnc1 ZINC000517003674 388531014 /nfs/dbraw/zinc/53/10/14/388531014.db2.gz IIQLBYMVDZEHTR-UHFFFAOYSA-N 2 1 210.281 -0.049 20 0 BBADMP C[C@@H](C[NH3+])C(=O)NCC[N@H+]1CCCOCC1 ZINC000517139316 388540062 /nfs/dbraw/zinc/54/00/62/388540062.db2.gz GKJQKGNOZOWRFP-JTQLQIEISA-N 2 1 229.324 -0.580 20 0 BBADMP C[C@H](C[NH3+])C(=O)NCC[N@H+]1CCCOCC1 ZINC000517139320 388539297 /nfs/dbraw/zinc/53/92/97/388539297.db2.gz GKJQKGNOZOWRFP-SNVBAGLBSA-N 2 1 229.324 -0.580 20 0 BBADMP CN(CCN1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000517146722 388539281 /nfs/dbraw/zinc/53/92/81/388539281.db2.gz LDNQSLUFBLCYRK-UHFFFAOYSA-N 2 1 226.368 -0.425 20 0 BBADMP C[N@@H+](CCN1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000517146722 388539279 /nfs/dbraw/zinc/53/92/79/388539279.db2.gz LDNQSLUFBLCYRK-UHFFFAOYSA-N 3 1 226.368 -0.425 20 0 BBADMP O=C(NCC[N@H+]1CCCOCC1)[C@@H]1CCC[NH2+]1 ZINC000517149224 388539931 /nfs/dbraw/zinc/53/99/31/388539931.db2.gz VJXUIDLIRMIAID-NSHDSACASA-N 2 1 241.335 -0.423 20 0 BBADMP O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1CCC[NH2+]1 ZINC000517149224 388539927 /nfs/dbraw/zinc/53/99/27/388539927.db2.gz VJXUIDLIRMIAID-NSHDSACASA-N 2 1 241.335 -0.423 20 0 BBADMP O=C(N[C@H]1CC[NH2+]C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000517177559 388540748 /nfs/dbraw/zinc/54/07/48/388540748.db2.gz WFLPRBMQFYMCLL-UWVGGRQHSA-N 2 1 238.335 -0.116 20 0 BBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N[C@H]1CC[NH2+]C1 ZINC000517177560 388541156 /nfs/dbraw/zinc/54/11/56/388541156.db2.gz WFLPRBMQFYMCLL-VHSXEESVSA-N 2 1 238.335 -0.116 20 0 BBADMP [NH3+]CCCCC(=O)NCC[N@H+]1CCCOCC1 ZINC000517367500 388547793 /nfs/dbraw/zinc/54/77/93/388547793.db2.gz OHRAXRHLDDGIAB-UHFFFAOYSA-N 2 1 243.351 -0.046 20 0 BBADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000517745300 342753308 /nfs/dbraw/zinc/75/33/08/342753308.db2.gz YYBZMCNRXAEAQW-HLTSFMKQSA-N 2 1 229.349 -0.108 20 0 BBADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000517745301 342753227 /nfs/dbraw/zinc/75/32/27/342753227.db2.gz YYBZMCNRXAEAQW-HRDYMLBCSA-N 2 1 229.349 -0.108 20 0 BBADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000517745302 342753456 /nfs/dbraw/zinc/75/34/56/342753456.db2.gz YYBZMCNRXAEAQW-IWSPIJDZSA-N 2 1 229.349 -0.108 20 0 BBADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000517745303 342753655 /nfs/dbraw/zinc/75/36/55/342753655.db2.gz YYBZMCNRXAEAQW-VGMNWLOBSA-N 2 1 229.349 -0.108 20 0 BBADMP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000517756092 259322951 /nfs/dbraw/zinc/32/29/51/259322951.db2.gz FBVVXSKJIVXFCC-UWVGGRQHSA-N 2 1 229.324 -0.569 20 0 BBADMP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000517756093 259322650 /nfs/dbraw/zinc/32/26/50/259322650.db2.gz FBVVXSKJIVXFCC-VHSXEESVSA-N 2 1 229.324 -0.569 20 0 BBADMP [NH3+][C@H]1C[C@@H](C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000518377003 385014989 /nfs/dbraw/zinc/01/49/89/385014989.db2.gz KUFHTQWGCGOERC-PHIMTYICSA-N 2 1 241.335 -0.438 20 0 BBADMP CO[C@H](C[NH3+])C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000518540369 383994829 /nfs/dbraw/zinc/99/48/29/383994829.db2.gz JFCPXOMHTLYFBZ-NXEZZACHSA-N 2 1 229.324 -0.582 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000518540370 383992755 /nfs/dbraw/zinc/99/27/55/383992755.db2.gz JFCPXOMHTLYFBZ-UWVGGRQHSA-N 2 1 229.324 -0.582 20 0 BBADMP CO[C@H](C[NH3+])C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000518540371 383994251 /nfs/dbraw/zinc/99/42/51/383994251.db2.gz JFCPXOMHTLYFBZ-VHSXEESVSA-N 2 1 229.324 -0.582 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000518540372 256579187 /nfs/dbraw/zinc/57/91/87/256579187.db2.gz JFCPXOMHTLYFBZ-ZJUUUORDSA-N 2 1 229.324 -0.582 20 0 BBADMP CC[NH+](C)C[C@H](O)CN1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000518559764 384009244 /nfs/dbraw/zinc/00/92/44/384009244.db2.gz HOWVDLHYXFCOJZ-RWMBFGLXSA-N 2 1 241.379 -0.065 20 0 BBADMP CC[NH+](C)C[C@H](O)CN1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000518559764 384009239 /nfs/dbraw/zinc/00/92/39/384009239.db2.gz HOWVDLHYXFCOJZ-RWMBFGLXSA-N 2 1 241.379 -0.065 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000518559764 384009232 /nfs/dbraw/zinc/00/92/32/384009232.db2.gz HOWVDLHYXFCOJZ-RWMBFGLXSA-N 2 1 241.379 -0.065 20 0 BBADMP CC[NH+](C)C[C@@H](O)CN1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000518559765 384010478 /nfs/dbraw/zinc/01/04/78/384010478.db2.gz HOWVDLHYXFCOJZ-YNEHKIRRSA-N 2 1 241.379 -0.065 20 0 BBADMP CC[NH+](C)C[C@@H](O)CN1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000518559765 384010471 /nfs/dbraw/zinc/01/04/71/384010471.db2.gz HOWVDLHYXFCOJZ-YNEHKIRRSA-N 2 1 241.379 -0.065 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)CN1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000518559765 384010463 /nfs/dbraw/zinc/01/04/63/384010463.db2.gz HOWVDLHYXFCOJZ-YNEHKIRRSA-N 2 1 241.379 -0.065 20 0 BBADMP C[NH2+]CC(=O)NCC[N@H+]1CCCOCC1 ZINC000519152270 387021750 /nfs/dbraw/zinc/02/17/50/387021750.db2.gz KMVMVNRLFUMCGU-UHFFFAOYSA-N 2 1 215.297 -0.956 20 0 BBADMP C[NH2+]CC(=O)NCC[N@@H+]1CCCOCC1 ZINC000519152270 387021746 /nfs/dbraw/zinc/02/17/46/387021746.db2.gz KMVMVNRLFUMCGU-UHFFFAOYSA-N 2 1 215.297 -0.956 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)CCOC1C[NH2+]C1 ZINC000519604286 256652472 /nfs/dbraw/zinc/65/24/72/256652472.db2.gz ZFUINMJSIAZXHO-UHFFFAOYSA-N 2 1 237.250 -0.925 20 0 BBADMP [NH3+]CCC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000519640915 386514185 /nfs/dbraw/zinc/51/41/85/386514185.db2.gz CWYCUJBQDPFCDD-LLVKDONJSA-N 2 1 234.303 -0.097 20 0 BBADMP [NH3+]CCC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000519640918 386513966 /nfs/dbraw/zinc/51/39/66/386513966.db2.gz CWYCUJBQDPFCDD-NSHDSACASA-N 2 1 234.303 -0.097 20 0 BBADMP NC(=O)CC[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000519645800 256655716 /nfs/dbraw/zinc/65/57/16/256655716.db2.gz CAFNFHIACCOKFJ-LLVKDONJSA-N 2 1 243.351 -0.312 20 0 BBADMP NC(=O)CC[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000519645819 256655454 /nfs/dbraw/zinc/65/54/54/256655454.db2.gz CAFNFHIACCOKFJ-NSHDSACASA-N 2 1 243.351 -0.312 20 0 BBADMP C[N@@H+](CCC[NH3+])C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000519778031 386549664 /nfs/dbraw/zinc/54/96/64/386549664.db2.gz XWZLSBPCSKFVNQ-LLVKDONJSA-N 3 1 242.367 -0.536 20 0 BBADMP C[N@@H+](CCC[NH3+])C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000519778059 386549568 /nfs/dbraw/zinc/54/95/68/386549568.db2.gz XWZLSBPCSKFVNQ-NSHDSACASA-N 3 1 242.367 -0.536 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)C[C@H]1CCOC1 ZINC000520240176 256667027 /nfs/dbraw/zinc/66/70/27/256667027.db2.gz NOFDDCITPMPLLG-GHMZBOCLSA-N 2 1 216.325 -0.075 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)C[C@H]1CCOC1 ZINC000520240177 386616351 /nfs/dbraw/zinc/61/63/51/386616351.db2.gz NOFDDCITPMPLLG-MNOVXSKESA-N 2 1 216.325 -0.075 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)C[C@@H]1CCOC1 ZINC000520240178 386616438 /nfs/dbraw/zinc/61/64/38/386616438.db2.gz NOFDDCITPMPLLG-QWRGUYRKSA-N 2 1 216.325 -0.075 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)C[C@@H]1CCOC1 ZINC000520240179 386616299 /nfs/dbraw/zinc/61/62/99/386616299.db2.gz NOFDDCITPMPLLG-WDEREUQCSA-N 2 1 216.325 -0.075 20 0 BBADMP C[C@H]([NH3+])CCNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000520583050 386701437 /nfs/dbraw/zinc/70/14/37/386701437.db2.gz IAZFALOTLBUJFJ-QWRGUYRKSA-N 2 1 242.367 -0.524 20 0 BBADMP C[C@H](C(=O)NCC[C@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC000520583051 386699982 /nfs/dbraw/zinc/69/99/82/386699982.db2.gz IAZFALOTLBUJFJ-WDEREUQCSA-N 2 1 242.367 -0.524 20 0 BBADMP CC(C)OCC[C@@H](O)C[NH2+]C[C@H](O)C[NH+](C)C ZINC000521045164 388561098 /nfs/dbraw/zinc/56/10/98/388561098.db2.gz KFXHDIPXWBBTHX-NEPJUHHUSA-N 2 1 248.367 -0.326 20 0 BBADMP CC(C)OCC[C@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C ZINC000521045165 388560735 /nfs/dbraw/zinc/56/07/35/388560735.db2.gz KFXHDIPXWBBTHX-NWDGAFQWSA-N 2 1 248.367 -0.326 20 0 BBADMP CC(C)OCC[C@H](O)C[NH2+]C[C@H](O)C[NH+](C)C ZINC000521045166 388560906 /nfs/dbraw/zinc/56/09/06/388560906.db2.gz KFXHDIPXWBBTHX-RYUDHWBXSA-N 2 1 248.367 -0.326 20 0 BBADMP CC(C)OCC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C ZINC000521045167 388561142 /nfs/dbraw/zinc/56/11/42/388561142.db2.gz KFXHDIPXWBBTHX-VXGBXAGGSA-N 2 1 248.367 -0.326 20 0 BBADMP COCC[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000521069349 259339150 /nfs/dbraw/zinc/33/91/50/259339150.db2.gz HQORKNSXWLVOMA-AXFHLTTASA-N 2 1 241.335 -0.345 20 0 BBADMP COCC[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000521069350 259339184 /nfs/dbraw/zinc/33/91/84/259339184.db2.gz HQORKNSXWLVOMA-DCAQKATOSA-N 2 1 241.335 -0.345 20 0 BBADMP COCC[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000521069351 259339694 /nfs/dbraw/zinc/33/96/94/259339694.db2.gz HQORKNSXWLVOMA-GARJFASQSA-N 2 1 241.335 -0.345 20 0 BBADMP COCC[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000521069352 259339367 /nfs/dbraw/zinc/33/93/67/259339367.db2.gz HQORKNSXWLVOMA-HBNTYKKESA-N 2 1 241.335 -0.345 20 0 BBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CSC[NH2+]1 ZINC000521438117 386124596 /nfs/dbraw/zinc/12/45/96/386124596.db2.gz QIUJGCLMGQWGTK-BIIVOSGPSA-N 2 1 217.338 -0.109 20 0 BBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CSC[NH2+]1 ZINC000521438118 386123909 /nfs/dbraw/zinc/12/39/09/386123909.db2.gz QIUJGCLMGQWGTK-FXQIFTODSA-N 2 1 217.338 -0.109 20 0 BBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1CSC[NH2+]1 ZINC000521438119 386124959 /nfs/dbraw/zinc/12/49/59/386124959.db2.gz QIUJGCLMGQWGTK-RNJXMRFFSA-N 2 1 217.338 -0.109 20 0 BBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1CSC[NH2+]1 ZINC000521438120 386125242 /nfs/dbraw/zinc/12/52/42/386125242.db2.gz QIUJGCLMGQWGTK-XLPZGREQSA-N 2 1 217.338 -0.109 20 0 BBADMP [NH3+][C@H]1C[C@@H](C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000521630003 388620077 /nfs/dbraw/zinc/62/00/77/388620077.db2.gz VYSQHOHGXQYPGM-PHIMTYICSA-N 2 1 241.335 -0.438 20 0 BBADMP COCC[NH2+]C1CC[NH+](CCOCC[NH3+])CC1 ZINC000521634727 388620205 /nfs/dbraw/zinc/62/02/05/388620205.db2.gz ZDPVGVVOEJXVDI-UHFFFAOYSA-N 3 1 245.367 -0.338 20 0 BBADMP CN(C(=O)CC(F)(F)C[NH3+])[C@@H]1CC[NH2+]C1 ZINC000521890978 388639802 /nfs/dbraw/zinc/63/98/02/388639802.db2.gz KWRFWSVIGKHVRO-SSDOTTSWSA-N 2 1 221.251 -0.209 20 0 BBADMP CN(C(=O)CC(F)(F)C[NH3+])[C@H]1CC[NH2+]C1 ZINC000521890979 388640018 /nfs/dbraw/zinc/64/00/18/388640018.db2.gz KWRFWSVIGKHVRO-ZETCQYMHSA-N 2 1 221.251 -0.209 20 0 BBADMP CC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCCOCC1 ZINC000521999796 388674135 /nfs/dbraw/zinc/67/41/35/388674135.db2.gz XJELTYXBYFERKM-SNVBAGLBSA-N 2 1 229.324 -0.438 20 0 BBADMP CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCCOCC1 ZINC000521999796 388674132 /nfs/dbraw/zinc/67/41/32/388674132.db2.gz XJELTYXBYFERKM-SNVBAGLBSA-N 2 1 229.324 -0.438 20 0 BBADMP C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000522001934 388673964 /nfs/dbraw/zinc/67/39/64/388673964.db2.gz MSIVAQXERBHXNJ-KOLCDFICSA-N 2 1 234.303 -0.098 20 0 BBADMP C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000522001935 388673899 /nfs/dbraw/zinc/67/38/99/388673899.db2.gz MSIVAQXERBHXNJ-MWLCHTKSSA-N 2 1 234.303 -0.098 20 0 BBADMP CC(C)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000522014538 388675367 /nfs/dbraw/zinc/67/53/67/388675367.db2.gz VFBYYBPFAANJJK-NXEZZACHSA-N 2 1 211.309 -0.114 20 0 BBADMP CC(C)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000522014539 259582919 /nfs/dbraw/zinc/58/29/19/259582919.db2.gz VFBYYBPFAANJJK-UWVGGRQHSA-N 2 1 211.309 -0.114 20 0 BBADMP CC(C)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000522014541 259583293 /nfs/dbraw/zinc/58/32/93/259583293.db2.gz VFBYYBPFAANJJK-VHSXEESVSA-N 2 1 211.309 -0.114 20 0 BBADMP CC(C)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000522014542 388674863 /nfs/dbraw/zinc/67/48/63/388674863.db2.gz VFBYYBPFAANJJK-ZJUUUORDSA-N 2 1 211.309 -0.114 20 0 BBADMP C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1COCC[NH2+]1 ZINC000527532739 387622715 /nfs/dbraw/zinc/62/27/15/387622715.db2.gz OIFYMNPIPMMOLQ-GHMZBOCLSA-N 2 1 213.325 -0.294 20 0 BBADMP C(N[C@@H]1CCC[NH2+]CC1)[C@H]1COCC[NH2+]1 ZINC000527532740 387623564 /nfs/dbraw/zinc/62/35/64/387623564.db2.gz OIFYMNPIPMMOLQ-MNOVXSKESA-N 2 1 213.325 -0.294 20 0 BBADMP C(N[C@H]1CCC[NH2+]CC1)[C@H]1COCC[NH2+]1 ZINC000527532742 387622385 /nfs/dbraw/zinc/62/23/85/387622385.db2.gz OIFYMNPIPMMOLQ-QWRGUYRKSA-N 2 1 213.325 -0.294 20 0 BBADMP C(N[C@H]1CCC[NH2+]CC1)[C@@H]1COCC[NH2+]1 ZINC000527532744 387622350 /nfs/dbraw/zinc/62/23/50/387622350.db2.gz OIFYMNPIPMMOLQ-WDEREUQCSA-N 2 1 213.325 -0.294 20 0 BBADMP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1COCC[NH2+]1 ZINC000527533971 387626727 /nfs/dbraw/zinc/62/67/27/387626727.db2.gz YIKIUIJUJQQJPR-AYLPWXGPSA-N 2 1 225.336 -0.153 20 0 BBADMP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1COCC[NH2+]1 ZINC000527533973 387627557 /nfs/dbraw/zinc/62/75/57/387627557.db2.gz YIKIUIJUJQQJPR-MBYGNEARSA-N 2 1 225.336 -0.153 20 0 BBADMP O[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)CC1(O)CCC1 ZINC000528358826 387908915 /nfs/dbraw/zinc/90/89/15/387908915.db2.gz YMCWYVDXOPHLPU-GRYCIOLGSA-N 2 1 240.347 -0.196 20 0 BBADMP O[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)CC1(O)CCC1 ZINC000528358828 387909488 /nfs/dbraw/zinc/90/94/88/387909488.db2.gz YMCWYVDXOPHLPU-TUAOUCFPSA-N 2 1 240.347 -0.196 20 0 BBADMP Cc1c[nH+]cn1CC(=O)N1CC([NH+](C)C)C1 ZINC000528922964 388583956 /nfs/dbraw/zinc/58/39/56/388583956.db2.gz BMGOIGVYCYYVOP-UHFFFAOYSA-N 2 1 222.292 -0.036 20 0 BBADMP CCn1ccnc1C[NH2+]C[C@H]1COCCN1 ZINC000530182242 388622735 /nfs/dbraw/zinc/62/27/35/388622735.db2.gz SLBRQWSALPKMFE-JTQLQIEISA-N 2 1 224.308 -0.019 20 0 BBADMP CCn1ccnc1C[NH2+]C[C@@H]1COCCN1 ZINC000530182243 388623214 /nfs/dbraw/zinc/62/32/14/388623214.db2.gz SLBRQWSALPKMFE-SNVBAGLBSA-N 2 1 224.308 -0.019 20 0 BBADMP C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)C1C[NH2+]C1 ZINC000530220986 324539107 /nfs/dbraw/zinc/53/91/07/324539107.db2.gz VLCYVQHLDMJJQO-PSASIEDQSA-N 2 1 211.309 -0.195 20 0 BBADMP C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)C1C[NH2+]C1 ZINC000530220987 388632667 /nfs/dbraw/zinc/63/26/67/388632667.db2.gz VLCYVQHLDMJJQO-SCZZXKLOSA-N 2 1 211.309 -0.195 20 0 BBADMP C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)C1C[NH2+]C1 ZINC000530220988 388632998 /nfs/dbraw/zinc/63/29/98/388632998.db2.gz VLCYVQHLDMJJQO-WCBMZHEXSA-N 2 1 211.309 -0.195 20 0 BBADMP C[C@H]([NH2+][C@H]1CCCN(C)C1=O)C1C[NH2+]C1 ZINC000530220989 388632811 /nfs/dbraw/zinc/63/28/11/388632811.db2.gz VLCYVQHLDMJJQO-WPRPVWTQSA-N 2 1 211.309 -0.195 20 0 BBADMP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H]1COCC[NH2+]1 ZINC000530223438 388634093 /nfs/dbraw/zinc/63/40/93/388634093.db2.gz JQUQSUAZVLVETR-AXFHLTTASA-N 2 1 213.325 -0.308 20 0 BBADMP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H]1COCC[NH2+]1 ZINC000530223441 388634220 /nfs/dbraw/zinc/63/42/20/388634220.db2.gz JQUQSUAZVLVETR-DCAQKATOSA-N 2 1 213.325 -0.308 20 0 BBADMP [NH3+]C[C@@H]1CCC[C@H]1NC[C@H]1COCC[NH2+]1 ZINC000530223442 388634022 /nfs/dbraw/zinc/63/40/22/388634022.db2.gz JQUQSUAZVLVETR-GARJFASQSA-N 2 1 213.325 -0.308 20 0 BBADMP [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H]1COCC[NH2+]1 ZINC000530223444 323218424 /nfs/dbraw/zinc/21/84/24/323218424.db2.gz JQUQSUAZVLVETR-HBNTYKKESA-N 2 1 213.325 -0.308 20 0 BBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1COCCN1 ZINC000530225616 388635554 /nfs/dbraw/zinc/63/55/54/388635554.db2.gz UOYXRBQZVGSAGE-GRYCIOLGSA-N 2 1 227.352 -0.095 20 0 BBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1COCCN1 ZINC000530225617 388635367 /nfs/dbraw/zinc/63/53/67/388635367.db2.gz UOYXRBQZVGSAGE-IJLUTSLNSA-N 2 1 227.352 -0.095 20 0 BBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1COCCN1 ZINC000530225618 388635446 /nfs/dbraw/zinc/63/54/46/388635446.db2.gz UOYXRBQZVGSAGE-UTUOFQBUSA-N 2 1 227.352 -0.095 20 0 BBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1COCCN1 ZINC000530225619 388635346 /nfs/dbraw/zinc/63/53/46/388635346.db2.gz UOYXRBQZVGSAGE-WOPDTQHZSA-N 2 1 227.352 -0.095 20 0 BBADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1COCC[NH2+]1 ZINC000530226576 388635771 /nfs/dbraw/zinc/63/57/71/388635771.db2.gz SLODPFYUBZPDPH-GRYCIOLGSA-N 2 1 227.352 -0.048 20 0 BBADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1COCC[NH2+]1 ZINC000530226577 388635104 /nfs/dbraw/zinc/63/51/04/388635104.db2.gz SLODPFYUBZPDPH-IJLUTSLNSA-N 2 1 227.352 -0.048 20 0 BBADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1COCC[NH2+]1 ZINC000530226579 388635180 /nfs/dbraw/zinc/63/51/80/388635180.db2.gz SLODPFYUBZPDPH-UTUOFQBUSA-N 2 1 227.352 -0.048 20 0 BBADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1COCC[NH2+]1 ZINC000530226580 388635321 /nfs/dbraw/zinc/63/53/21/388635321.db2.gz SLODPFYUBZPDPH-WOPDTQHZSA-N 2 1 227.352 -0.048 20 0 BBADMP CC(C)[C@H]1CNCC[N@H+]1CCOCC[NH3+] ZINC000530229394 388637038 /nfs/dbraw/zinc/63/70/38/388637038.db2.gz OJQUJNZWCNLLLM-LLVKDONJSA-N 2 1 215.341 -0.109 20 0 BBADMP CC(C)[C@H]1CNCC[N@@H+]1CCOCC[NH3+] ZINC000530229394 388637037 /nfs/dbraw/zinc/63/70/37/388637037.db2.gz OJQUJNZWCNLLLM-LLVKDONJSA-N 2 1 215.341 -0.109 20 0 BBADMP CC(C)[C@@H]1CNCC[N@H+]1CCOCC[NH3+] ZINC000530229396 388637132 /nfs/dbraw/zinc/63/71/32/388637132.db2.gz OJQUJNZWCNLLLM-NSHDSACASA-N 2 1 215.341 -0.109 20 0 BBADMP CC(C)[C@@H]1CNCC[N@@H+]1CCOCC[NH3+] ZINC000530229396 388637128 /nfs/dbraw/zinc/63/71/28/388637128.db2.gz OJQUJNZWCNLLLM-NSHDSACASA-N 2 1 215.341 -0.109 20 0 BBADMP CCOC[C@H]1C[N@@H+](CCOCC[NH3+])CCO1 ZINC000530231500 388637169 /nfs/dbraw/zinc/63/71/69/388637169.db2.gz IEINJLXIDLITOF-LLVKDONJSA-N 2 1 232.324 -0.301 20 0 BBADMP CCOC[C@H]1C[N@H+](CCOCC[NH3+])CCO1 ZINC000530231500 388637168 /nfs/dbraw/zinc/63/71/68/388637168.db2.gz IEINJLXIDLITOF-LLVKDONJSA-N 2 1 232.324 -0.301 20 0 BBADMP CCOC[C@@H]1C[N@@H+](CCOCC[NH3+])CCO1 ZINC000530231501 388636716 /nfs/dbraw/zinc/63/67/16/388636716.db2.gz IEINJLXIDLITOF-NSHDSACASA-N 2 1 232.324 -0.301 20 0 BBADMP CCOC[C@@H]1C[N@H+](CCOCC[NH3+])CCO1 ZINC000530231501 388636713 /nfs/dbraw/zinc/63/67/13/388636713.db2.gz IEINJLXIDLITOF-NSHDSACASA-N 2 1 232.324 -0.301 20 0 BBADMP C[C@@]1(CNC[C@@H]2COCC[NH2+]2)CC[NH2+]C1 ZINC000530246850 388639626 /nfs/dbraw/zinc/63/96/26/388639626.db2.gz LDIHBCUOFNARME-GHMZBOCLSA-N 2 1 213.325 -0.436 20 0 BBADMP C[C@]1(CNC[C@@H]2COCC[NH2+]2)CC[NH2+]C1 ZINC000530246851 388639507 /nfs/dbraw/zinc/63/95/07/388639507.db2.gz LDIHBCUOFNARME-MNOVXSKESA-N 2 1 213.325 -0.436 20 0 BBADMP C[C@]1(CNC[C@H]2COCC[NH2+]2)CC[NH2+]C1 ZINC000530246852 388639488 /nfs/dbraw/zinc/63/94/88/388639488.db2.gz LDIHBCUOFNARME-QWRGUYRKSA-N 2 1 213.325 -0.436 20 0 BBADMP C[C@@]1(CNC[C@H]2COCC[NH2+]2)CC[NH2+]C1 ZINC000530246853 388639750 /nfs/dbraw/zinc/63/97/50/388639750.db2.gz LDIHBCUOFNARME-WDEREUQCSA-N 2 1 213.325 -0.436 20 0 BBADMP C(NC[C@]12C[C@H]1C[NH2+]C2)[C@H]1COCC[NH2+]1 ZINC000530247803 388639615 /nfs/dbraw/zinc/63/96/15/388639615.db2.gz ZKWKDYUUFLXJFV-GARJFASQSA-N 2 1 211.309 -0.826 20 0 BBADMP C(NC[C@@]12C[C@@H]1C[NH2+]C2)[C@H]1COCC[NH2+]1 ZINC000530247805 388639448 /nfs/dbraw/zinc/63/94/48/388639448.db2.gz ZKWKDYUUFLXJFV-VWYCJHECSA-N 2 1 211.309 -0.826 20 0 BBADMP CN(CCC[NH+](C)C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000540514812 388807489 /nfs/dbraw/zinc/80/74/89/388807489.db2.gz ZYYRRSWCKFGCHJ-LLVKDONJSA-N 2 1 243.351 -0.273 20 0 BBADMP CN(CCC[NH+](C)C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000540514812 388807487 /nfs/dbraw/zinc/80/74/87/388807487.db2.gz ZYYRRSWCKFGCHJ-LLVKDONJSA-N 2 1 243.351 -0.273 20 0 BBADMP CN(CCC[NH+](C)C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000540514813 388808364 /nfs/dbraw/zinc/80/83/64/388808364.db2.gz ZYYRRSWCKFGCHJ-NSHDSACASA-N 2 1 243.351 -0.273 20 0 BBADMP CN(CCC[NH+](C)C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000540514813 388808360 /nfs/dbraw/zinc/80/83/60/388808360.db2.gz ZYYRRSWCKFGCHJ-NSHDSACASA-N 2 1 243.351 -0.273 20 0 BBADMP COCC[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000551848852 388643192 /nfs/dbraw/zinc/64/31/92/388643192.db2.gz UGWZIXUHWBQMFY-LLVKDONJSA-N 2 1 243.351 -0.368 20 0 BBADMP COCC[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000551848852 388643189 /nfs/dbraw/zinc/64/31/89/388643189.db2.gz UGWZIXUHWBQMFY-LLVKDONJSA-N 2 1 243.351 -0.368 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000551848852 388643187 /nfs/dbraw/zinc/64/31/87/388643187.db2.gz UGWZIXUHWBQMFY-LLVKDONJSA-N 2 1 243.351 -0.368 20 0 BBADMP COCC[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000551848853 388643535 /nfs/dbraw/zinc/64/35/35/388643535.db2.gz UGWZIXUHWBQMFY-NSHDSACASA-N 2 1 243.351 -0.368 20 0 BBADMP COCC[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000551848853 388643533 /nfs/dbraw/zinc/64/35/33/388643533.db2.gz UGWZIXUHWBQMFY-NSHDSACASA-N 2 1 243.351 -0.368 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC000551848853 388643531 /nfs/dbraw/zinc/64/35/31/388643531.db2.gz UGWZIXUHWBQMFY-NSHDSACASA-N 2 1 243.351 -0.368 20 0 BBADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)C1 ZINC000551953349 388649350 /nfs/dbraw/zinc/64/93/50/388649350.db2.gz TVYXCFAVYHBNSB-SDDRHHMPSA-N 2 1 237.347 -0.042 20 0 BBADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C1 ZINC000551953349 388649349 /nfs/dbraw/zinc/64/93/49/388649349.db2.gz TVYXCFAVYHBNSB-SDDRHHMPSA-N 2 1 237.347 -0.042 20 0 BBADMP C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC000551953349 388649346 /nfs/dbraw/zinc/64/93/46/388649346.db2.gz TVYXCFAVYHBNSB-SDDRHHMPSA-N 2 1 237.347 -0.042 20 0 BBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)C1 ZINC000551953350 388649331 /nfs/dbraw/zinc/64/93/31/388649331.db2.gz TVYXCFAVYHBNSB-UTUOFQBUSA-N 2 1 237.347 -0.042 20 0 BBADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C1 ZINC000551953350 388649329 /nfs/dbraw/zinc/64/93/29/388649329.db2.gz TVYXCFAVYHBNSB-UTUOFQBUSA-N 2 1 237.347 -0.042 20 0 BBADMP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC000551953350 388649327 /nfs/dbraw/zinc/64/93/27/388649327.db2.gz TVYXCFAVYHBNSB-UTUOFQBUSA-N 2 1 237.347 -0.042 20 0 BBADMP CN(CC[NH+](C)C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000556723907 384464246 /nfs/dbraw/zinc/46/42/46/384464246.db2.gz FVRSFTWHQVRNQF-JTQLQIEISA-N 2 1 213.325 -0.042 20 0 BBADMP CN(CC[NH+](C)C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000556723908 384465487 /nfs/dbraw/zinc/46/54/87/384465487.db2.gz FVRSFTWHQVRNQF-SNVBAGLBSA-N 2 1 213.325 -0.042 20 0 BBADMP CN(C)C(=O)CN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000559286027 398290278 /nfs/dbraw/zinc/29/02/78/398290278.db2.gz OGVOEWCKPBRQOT-UHFFFAOYSA-N 2 1 237.307 -0.380 20 0 BBADMP NC(=O)CN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000559290347 384973165 /nfs/dbraw/zinc/97/31/65/384973165.db2.gz VYWDVUFYYFPIPW-UHFFFAOYSA-N 2 1 209.253 -0.983 20 0 BBADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCC[NH3+] ZINC000561203835 384561570 /nfs/dbraw/zinc/56/15/70/384561570.db2.gz RXYMMAINNKWPIX-SECBINFHSA-N 2 1 214.313 -0.319 20 0 BBADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCC[NH3+] ZINC000561203836 384562171 /nfs/dbraw/zinc/56/21/71/384562171.db2.gz RXYMMAINNKWPIX-VIFPVBQESA-N 2 1 214.313 -0.319 20 0 BBADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCC[NH2+]C ZINC000562814944 323031495 /nfs/dbraw/zinc/03/14/95/323031495.db2.gz OZKPZOLNVOWQOM-JTQLQIEISA-N 2 1 228.340 -0.059 20 0 BBADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCC[NH2+]C ZINC000562814947 323031413 /nfs/dbraw/zinc/03/14/13/323031413.db2.gz OZKPZOLNVOWQOM-SNVBAGLBSA-N 2 1 228.340 -0.059 20 0 BBADMP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000563075002 347576770 /nfs/dbraw/zinc/57/67/70/347576770.db2.gz YYUKLEMOQQOYKL-NXEZZACHSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000563075003 347576860 /nfs/dbraw/zinc/57/68/60/347576860.db2.gz YYUKLEMOQQOYKL-VHSXEESVSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH3+])C1 ZINC000563114632 323093302 /nfs/dbraw/zinc/09/33/02/323093302.db2.gz AYRLRYFLTJCZNE-SECBINFHSA-N 2 1 215.297 -0.876 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH3+])C1 ZINC000563114632 323093301 /nfs/dbraw/zinc/09/33/01/323093301.db2.gz AYRLRYFLTJCZNE-SECBINFHSA-N 2 1 215.297 -0.876 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH3+])C1 ZINC000563114633 323093241 /nfs/dbraw/zinc/09/32/41/323093241.db2.gz AYRLRYFLTJCZNE-VIFPVBQESA-N 2 1 215.297 -0.876 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH3+])C1 ZINC000563114633 323093240 /nfs/dbraw/zinc/09/32/40/323093240.db2.gz AYRLRYFLTJCZNE-VIFPVBQESA-N 2 1 215.297 -0.876 20 0 BBADMP CC[C@@H]([NH3+])CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000563119527 323093944 /nfs/dbraw/zinc/09/39/44/323093944.db2.gz YZDCMAZIUWEHHT-NXEZZACHSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[C@@H]([NH3+])CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000563119527 323093943 /nfs/dbraw/zinc/09/39/43/323093943.db2.gz YZDCMAZIUWEHHT-NXEZZACHSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[C@H]([NH3+])CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000563119529 323093985 /nfs/dbraw/zinc/09/39/85/323093985.db2.gz YZDCMAZIUWEHHT-UWVGGRQHSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[C@H]([NH3+])CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000563119529 323093984 /nfs/dbraw/zinc/09/39/84/323093984.db2.gz YZDCMAZIUWEHHT-UWVGGRQHSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[C@H]([NH3+])CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000563119530 323093972 /nfs/dbraw/zinc/09/39/72/323093972.db2.gz YZDCMAZIUWEHHT-VHSXEESVSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[C@H]([NH3+])CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000563119530 323093971 /nfs/dbraw/zinc/09/39/71/323093971.db2.gz YZDCMAZIUWEHHT-VHSXEESVSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[C@@H]([NH3+])CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000563119532 323093892 /nfs/dbraw/zinc/09/38/92/323093892.db2.gz YZDCMAZIUWEHHT-ZJUUUORDSA-N 2 1 229.324 -0.439 20 0 BBADMP CC[C@@H]([NH3+])CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000563119532 323093891 /nfs/dbraw/zinc/09/38/91/323093891.db2.gz YZDCMAZIUWEHHT-ZJUUUORDSA-N 2 1 229.324 -0.439 20 0 BBADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000563153309 323095956 /nfs/dbraw/zinc/09/59/56/323095956.db2.gz PPOOBIJECVQMII-NXEZZACHSA-N 3 1 228.340 -0.880 20 0 BBADMP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000563153309 323095955 /nfs/dbraw/zinc/09/59/55/323095955.db2.gz PPOOBIJECVQMII-NXEZZACHSA-N 3 1 228.340 -0.880 20 0 BBADMP C[C@H]([NH3+])C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000563153310 323095873 /nfs/dbraw/zinc/09/58/73/323095873.db2.gz PPOOBIJECVQMII-UWVGGRQHSA-N 3 1 228.340 -0.880 20 0 BBADMP C[C@H]([NH3+])C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000563153310 323095872 /nfs/dbraw/zinc/09/58/72/323095872.db2.gz PPOOBIJECVQMII-UWVGGRQHSA-N 3 1 228.340 -0.880 20 0 BBADMP C[C@H]([NH3+])C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000563153311 323095902 /nfs/dbraw/zinc/09/59/02/323095902.db2.gz PPOOBIJECVQMII-VHSXEESVSA-N 3 1 228.340 -0.880 20 0 BBADMP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000563153311 323095901 /nfs/dbraw/zinc/09/59/01/323095901.db2.gz PPOOBIJECVQMII-VHSXEESVSA-N 3 1 228.340 -0.880 20 0 BBADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000563153312 323095961 /nfs/dbraw/zinc/09/59/61/323095961.db2.gz PPOOBIJECVQMII-ZJUUUORDSA-N 3 1 228.340 -0.880 20 0 BBADMP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000563153312 323095960 /nfs/dbraw/zinc/09/59/60/323095960.db2.gz PPOOBIJECVQMII-ZJUUUORDSA-N 3 1 228.340 -0.880 20 0 BBADMP C[NH+]1CCN(C(=O)CCN2CC[C@@H]([NH3+])C2)CC1 ZINC000563153432 323095934 /nfs/dbraw/zinc/09/59/34/323095934.db2.gz STDXREJQCMJMEH-LLVKDONJSA-N 2 1 240.351 -0.817 20 0 BBADMP COC(=O)[C@@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000563153758 323095939 /nfs/dbraw/zinc/09/59/39/323095939.db2.gz DXZZSUXXCXIFAH-VIFPVBQESA-N 2 1 216.281 -0.401 20 0 BBADMP COC(=O)[C@@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000563153758 323095938 /nfs/dbraw/zinc/09/59/38/323095938.db2.gz DXZZSUXXCXIFAH-VIFPVBQESA-N 2 1 216.281 -0.401 20 0 BBADMP [NH3+]CCOCC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000563154648 323095706 /nfs/dbraw/zinc/09/57/06/323095706.db2.gz RZQZEQFGBQPTOE-JTQLQIEISA-N 3 1 217.313 -0.989 20 0 BBADMP [NH3+]CCOCC[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000563154648 323095705 /nfs/dbraw/zinc/09/57/05/323095705.db2.gz RZQZEQFGBQPTOE-JTQLQIEISA-N 3 1 217.313 -0.989 20 0 BBADMP [NH3+]CCOCC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000563154649 323095703 /nfs/dbraw/zinc/09/57/03/323095703.db2.gz RZQZEQFGBQPTOE-SNVBAGLBSA-N 3 1 217.313 -0.989 20 0 BBADMP [NH3+]CCOCC[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000563154649 323095702 /nfs/dbraw/zinc/09/57/02/323095702.db2.gz RZQZEQFGBQPTOE-SNVBAGLBSA-N 3 1 217.313 -0.989 20 0 BBADMP CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000563155006 323095884 /nfs/dbraw/zinc/09/58/84/323095884.db2.gz XFASUKRTASEGTL-FXBDTBDDSA-N 2 1 200.282 -0.402 20 0 BBADMP CO[C@@H]1COC[C@H]1[NH2+][C@H](C)C1C[NH2+]C1 ZINC000563155007 323095973 /nfs/dbraw/zinc/09/59/73/323095973.db2.gz XFASUKRTASEGTL-SZEHBUNVSA-N 2 1 200.282 -0.402 20 0 BBADMP C[NH2+]CCN(C)C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000563158624 323096830 /nfs/dbraw/zinc/09/68/30/323096830.db2.gz HAWUSCVBEIEWSI-LLVKDONJSA-N 2 1 242.367 -0.700 20 0 BBADMP C[NH2+]CCN(C)C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000563158625 323096847 /nfs/dbraw/zinc/09/68/47/323096847.db2.gz HAWUSCVBEIEWSI-NSHDSACASA-N 2 1 242.367 -0.700 20 0 BBADMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000563162273 350373054 /nfs/dbraw/zinc/37/30/54/350373054.db2.gz KQDZSEKNJNNJHQ-NGZCFLSTSA-N 2 1 229.299 -0.116 20 0 BBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000563162274 350373272 /nfs/dbraw/zinc/37/32/72/350373272.db2.gz KQDZSEKNJNNJHQ-WCABBAIRSA-N 2 1 229.299 -0.116 20 0 BBADMP O=C([C@H]1COCC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000563163118 323098321 /nfs/dbraw/zinc/09/83/21/323098321.db2.gz POVRJNRSAVESAG-GARJFASQSA-N 2 1 239.319 -0.957 20 0 BBADMP O=C([C@H]1COCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000563163119 323098314 /nfs/dbraw/zinc/09/83/14/323098314.db2.gz POVRJNRSAVESAG-GMTAPVOTSA-N 2 1 239.319 -0.957 20 0 BBADMP O=C([C@H]1COCC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000563163120 323098338 /nfs/dbraw/zinc/09/83/38/323098338.db2.gz POVRJNRSAVESAG-HBNTYKKESA-N 2 1 239.319 -0.957 20 0 BBADMP O=C([C@H]1COCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000563163121 323098269 /nfs/dbraw/zinc/09/82/69/323098269.db2.gz POVRJNRSAVESAG-OUAUKWLOSA-N 2 1 239.319 -0.957 20 0 BBADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@H]1CSC[NH2+]1 ZINC000563170174 350495972 /nfs/dbraw/zinc/49/59/72/350495972.db2.gz QIUJGCLMGQWGTK-BWZBUEFSSA-N 2 1 217.338 -0.109 20 0 BBADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CSC[NH2+]1 ZINC000563170175 350496111 /nfs/dbraw/zinc/49/61/11/350496111.db2.gz QIUJGCLMGQWGTK-GJMOJQLCSA-N 2 1 217.338 -0.109 20 0 BBADMP [NH3+]C[C@@H](NC(=O)CC(F)(F)C[NH3+])C1CC1 ZINC000563337446 350820464 /nfs/dbraw/zinc/82/04/64/350820464.db2.gz WPIYMTCXXOIFKL-SSDOTTSWSA-N 2 1 221.251 -0.176 20 0 BBADMP [NH3+]C[C@H](NC(=O)CC(F)(F)C[NH3+])C1CC1 ZINC000563337447 350820485 /nfs/dbraw/zinc/82/04/85/350820485.db2.gz WPIYMTCXXOIFKL-ZETCQYMHSA-N 2 1 221.251 -0.176 20 0 BBADMP C[C@@H](NC(=O)CC(F)(F)C[NH3+])[C@H](C)[NH3+] ZINC000563338773 323119109 /nfs/dbraw/zinc/11/91/09/323119109.db2.gz MNUGCWGUXUAXJJ-NTSWFWBYSA-N 2 1 209.240 -0.178 20 0 BBADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)CC(F)(F)C[NH3+] ZINC000563338774 323119124 /nfs/dbraw/zinc/11/91/24/323119124.db2.gz MNUGCWGUXUAXJJ-PHDIDXHHSA-N 2 1 209.240 -0.178 20 0 BBADMP C[C@@H]([NH3+])[C@H](C)NC(=O)CC(F)(F)C[NH3+] ZINC000563338775 323119102 /nfs/dbraw/zinc/11/91/02/323119102.db2.gz MNUGCWGUXUAXJJ-RITPCOANSA-N 2 1 209.240 -0.178 20 0 BBADMP C[C@H]([NH3+])[C@H](C)NC(=O)CC(F)(F)C[NH3+] ZINC000563338777 323119080 /nfs/dbraw/zinc/11/90/80/323119080.db2.gz MNUGCWGUXUAXJJ-WDSKDSINSA-N 2 1 209.240 -0.178 20 0 BBADMP [NH3+]CC(F)(F)CC(=O)NCC1([NH3+])CCC1 ZINC000563340073 323119317 /nfs/dbraw/zinc/11/93/17/323119317.db2.gz UUNBSTYRZPHWEO-UHFFFAOYSA-N 2 1 221.251 -0.032 20 0 BBADMP C[C@H]1CN(C(=O)CC(F)(F)C[NH3+])CC[NH2+]1 ZINC000563340359 323119247 /nfs/dbraw/zinc/11/92/47/323119247.db2.gz ZQBWZUSNPYYLKU-ZETCQYMHSA-N 2 1 221.251 -0.209 20 0 BBADMP C[NH2+][C@@H](C)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000563412147 323124767 /nfs/dbraw/zinc/12/47/67/323124767.db2.gz BEPPCGAZNXNEEW-MNOVXSKESA-N 2 1 243.351 -0.321 20 0 BBADMP C[NH2+][C@@H](C)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000563412148 323124654 /nfs/dbraw/zinc/12/46/54/323124654.db2.gz BEPPCGAZNXNEEW-QWRGUYRKSA-N 2 1 243.351 -0.321 20 0 BBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCn3cccn3)CCN2C1=O ZINC000563441049 323125865 /nfs/dbraw/zinc/12/58/65/323125865.db2.gz KAGUVQYNHJIOEO-GHMZBOCLSA-N 2 1 249.318 -0.873 20 0 BBADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCn3cccn3)CCN2C1=O ZINC000563441049 323125864 /nfs/dbraw/zinc/12/58/64/323125864.db2.gz KAGUVQYNHJIOEO-GHMZBOCLSA-N 2 1 249.318 -0.873 20 0 BBADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCn3cccn3)CCN2C1=O ZINC000563441057 323126001 /nfs/dbraw/zinc/12/60/01/323126001.db2.gz KAGUVQYNHJIOEO-MNOVXSKESA-N 2 1 249.318 -0.873 20 0 BBADMP [NH3+][C@H]1C[C@@H]2C[N@H+](CCn3cccn3)CCN2C1=O ZINC000563441057 323126000 /nfs/dbraw/zinc/12/60/00/323126000.db2.gz KAGUVQYNHJIOEO-MNOVXSKESA-N 2 1 249.318 -0.873 20 0 BBADMP [NH3+][C@H]1C[C@H]2C[N@@H+](CCn3cccn3)CCN2C1=O ZINC000563441058 323126008 /nfs/dbraw/zinc/12/60/08/323126008.db2.gz KAGUVQYNHJIOEO-QWRGUYRKSA-N 2 1 249.318 -0.873 20 0 BBADMP [NH3+][C@H]1C[C@H]2C[N@H+](CCn3cccn3)CCN2C1=O ZINC000563441058 323126007 /nfs/dbraw/zinc/12/60/07/323126007.db2.gz KAGUVQYNHJIOEO-QWRGUYRKSA-N 2 1 249.318 -0.873 20 0 BBADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCn3cccn3)CCN2C1=O ZINC000563441059 323125992 /nfs/dbraw/zinc/12/59/92/323125992.db2.gz KAGUVQYNHJIOEO-WDEREUQCSA-N 2 1 249.318 -0.873 20 0 BBADMP [NH3+][C@@H]1C[C@H]2C[N@H+](CCn3cccn3)CCN2C1=O ZINC000563441059 323125991 /nfs/dbraw/zinc/12/59/91/323125991.db2.gz KAGUVQYNHJIOEO-WDEREUQCSA-N 2 1 249.318 -0.873 20 0 BBADMP Cc1ncc(CNCC(=O)N(C)C)n1C ZINC000563441328 323126736 /nfs/dbraw/zinc/12/67/36/323126736.db2.gz QUJOWYCXELUYBL-UHFFFAOYSA-N 2 1 210.281 -0.094 20 0 BBADMP [NH3+]CC1(CC(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000563709710 323174823 /nfs/dbraw/zinc/17/48/23/323174823.db2.gz ZAWDJNHYVHTLEE-UHFFFAOYSA-N 2 1 241.335 -0.748 20 0 BBADMP C[C@@H]1C[C@@H]1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563730483 323176546 /nfs/dbraw/zinc/17/65/46/323176546.db2.gz ILDIWTVHTKVXBL-CHWFTXMASA-N 2 1 223.320 -0.114 20 0 BBADMP C[C@@H]1C[C@@H]1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563730490 323176534 /nfs/dbraw/zinc/17/65/34/323176534.db2.gz ILDIWTVHTKVXBL-DBIOUOCHSA-N 2 1 223.320 -0.114 20 0 BBADMP C[C@@H]1C[C@@H]1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563730493 323176326 /nfs/dbraw/zinc/17/63/26/323176326.db2.gz ILDIWTVHTKVXBL-GWOFURMSSA-N 2 1 223.320 -0.114 20 0 BBADMP C[C@@H]1C[C@@H]1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563730495 323176371 /nfs/dbraw/zinc/17/63/71/323176371.db2.gz ILDIWTVHTKVXBL-ZNSHCXBVSA-N 2 1 223.320 -0.114 20 0 BBADMP [NH3+]CC(F)(F)CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000563895463 323200646 /nfs/dbraw/zinc/20/06/46/323200646.db2.gz ABHBIGHSEWHJCS-SSDOTTSWSA-N 2 1 221.251 -0.161 20 0 BBADMP [NH3+]CC(F)(F)CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000563895466 323200724 /nfs/dbraw/zinc/20/07/24/323200724.db2.gz ABHBIGHSEWHJCS-ZETCQYMHSA-N 2 1 221.251 -0.161 20 0 BBADMP C[N@@H+](CCC1CC[NH2+]CC1)C[C@H](O)C[NH3+] ZINC000563957516 323331172 /nfs/dbraw/zinc/33/11/72/323331172.db2.gz MBYWHZPMHZJRLS-LLVKDONJSA-N 3 1 215.341 -0.373 20 0 BBADMP C[N@@H+](CCC1CC[NH2+]CC1)C[C@@H](O)C[NH3+] ZINC000563957543 323330871 /nfs/dbraw/zinc/33/08/71/323330871.db2.gz MBYWHZPMHZJRLS-NSHDSACASA-N 3 1 215.341 -0.373 20 0 BBADMP COC[C@H](C)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000564103141 387831361 /nfs/dbraw/zinc/83/13/61/387831361.db2.gz XUDVPGIWYOAZJQ-GMTAPVOTSA-N 2 1 241.335 -0.487 20 0 BBADMP COC[C@H](C)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000564103144 387832174 /nfs/dbraw/zinc/83/21/74/387832174.db2.gz XUDVPGIWYOAZJQ-MXWKQRLJSA-N 2 1 241.335 -0.487 20 0 BBADMP COC[C@H](C)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000564103145 387832641 /nfs/dbraw/zinc/83/26/41/387832641.db2.gz XUDVPGIWYOAZJQ-OUAUKWLOSA-N 2 1 241.335 -0.487 20 0 BBADMP COC[C@H](C)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000564103146 387832488 /nfs/dbraw/zinc/83/24/88/387832488.db2.gz XUDVPGIWYOAZJQ-VWYCJHECSA-N 2 1 241.335 -0.487 20 0 BBADMP Cc1[nH+]ccn1CCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000564470764 325793844 /nfs/dbraw/zinc/79/38/44/325793844.db2.gz ZRLZDPVYDUHWFB-JTQLQIEISA-N 2 1 237.307 -0.147 20 0 BBADMP C[NH2+]CCC(=O)NCC[N@H+]1CCCOCC1 ZINC000564568261 346662160 /nfs/dbraw/zinc/66/21/60/346662160.db2.gz STDCSEQRJRNMML-UHFFFAOYSA-N 2 1 229.324 -0.566 20 0 BBADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000564731031 398039678 /nfs/dbraw/zinc/03/96/78/398039678.db2.gz QMQZGAOEGCMYQD-BBBLOLIVSA-N 2 1 211.309 -0.208 20 0 BBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000564731033 398039121 /nfs/dbraw/zinc/03/91/21/398039121.db2.gz QMQZGAOEGCMYQD-LPEHRKFASA-N 2 1 211.309 -0.208 20 0 BBADMP CC[C@@H]([NH3+])C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000564918616 388897967 /nfs/dbraw/zinc/89/79/67/388897967.db2.gz YWNFERUDDHYUFK-SECBINFHSA-N 2 1 239.323 -0.160 20 0 BBADMP CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000564947156 384969807 /nfs/dbraw/zinc/96/98/07/384969807.db2.gz ARUGBVRHZATMHH-LLVKDONJSA-N 2 1 243.351 -0.177 20 0 BBADMP CC[NH2+]CCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000564947156 384969802 /nfs/dbraw/zinc/96/98/02/384969802.db2.gz ARUGBVRHZATMHH-LLVKDONJSA-N 2 1 243.351 -0.177 20 0 BBADMP CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000564947157 384969786 /nfs/dbraw/zinc/96/97/86/384969786.db2.gz ARUGBVRHZATMHH-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000564947157 384969780 /nfs/dbraw/zinc/96/97/80/384969780.db2.gz ARUGBVRHZATMHH-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP CCC[N@@H+](C)CC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000564952575 388901654 /nfs/dbraw/zinc/90/16/54/388901654.db2.gz FNZLSOPQPSZONW-LLVKDONJSA-N 2 1 243.351 -0.096 20 0 BBADMP CCC[N@@H+](C)CC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000564952576 388901191 /nfs/dbraw/zinc/90/11/91/388901191.db2.gz FNZLSOPQPSZONW-NSHDSACASA-N 2 1 243.351 -0.096 20 0 BBADMP CC(C)([NH3+])CNCCN1CC[NH2+]CC1 ZINC000564973841 384056146 /nfs/dbraw/zinc/05/61/46/384056146.db2.gz XIHRDLYXXKFVLS-UHFFFAOYSA-N 2 1 200.330 -0.782 20 0 BBADMP CC(C)(N)C[NH2+]CCN1CC[NH2+]CC1 ZINC000564973841 384056143 /nfs/dbraw/zinc/05/61/43/384056143.db2.gz XIHRDLYXXKFVLS-UHFFFAOYSA-N 2 1 200.330 -0.782 20 0 BBADMP COc1ccccc1[C@H]([NH3+])C(=O)NCC[NH3+] ZINC000564983430 325839997 /nfs/dbraw/zinc/83/99/97/325839997.db2.gz ZLYAWLOSJYTRJQ-JTQLQIEISA-N 2 1 223.276 -0.230 20 0 BBADMP COc1ccccc1[C@@H]([NH3+])C(=O)NCC[NH3+] ZINC000564983431 388905514 /nfs/dbraw/zinc/90/55/14/388905514.db2.gz ZLYAWLOSJYTRJQ-SNVBAGLBSA-N 2 1 223.276 -0.230 20 0 BBADMP C[C@H]1CN(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000564986486 384301967 /nfs/dbraw/zinc/30/19/67/384301967.db2.gz PSZSTTCBTUJXLO-RWMBFGLXSA-N 2 1 239.363 -0.142 20 0 BBADMP C[C@H]1CN(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000564986486 384301964 /nfs/dbraw/zinc/30/19/64/384301964.db2.gz PSZSTTCBTUJXLO-RWMBFGLXSA-N 2 1 239.363 -0.142 20 0 BBADMP C[C@@H]1CN(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000564986488 384300880 /nfs/dbraw/zinc/30/08/80/384300880.db2.gz PSZSTTCBTUJXLO-UPJWGTAASA-N 2 1 239.363 -0.142 20 0 BBADMP C[C@@H]1CN(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000564986488 384300870 /nfs/dbraw/zinc/30/08/70/384300870.db2.gz PSZSTTCBTUJXLO-UPJWGTAASA-N 2 1 239.363 -0.142 20 0 BBADMP C[NH2+]CCC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000564988545 388904706 /nfs/dbraw/zinc/90/47/06/388904706.db2.gz VTDMRAMTPVZYRR-GFCCVEGCSA-N 3 1 226.368 -0.425 20 0 BBADMP C[NH2+]CCC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000564988545 388904702 /nfs/dbraw/zinc/90/47/02/388904702.db2.gz VTDMRAMTPVZYRR-GFCCVEGCSA-N 3 1 226.368 -0.425 20 0 BBADMP C[NH2+]CCC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000564988548 388905152 /nfs/dbraw/zinc/90/51/52/388905152.db2.gz VTDMRAMTPVZYRR-LBPRGKRZSA-N 3 1 226.368 -0.425 20 0 BBADMP C[NH2+]CCC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000564988548 388905147 /nfs/dbraw/zinc/90/51/47/388905147.db2.gz VTDMRAMTPVZYRR-LBPRGKRZSA-N 3 1 226.368 -0.425 20 0 BBADMP CCC(=O)N1CCC[N@@H+](CCOCC[NH3+])CC1 ZINC000564989237 388905294 /nfs/dbraw/zinc/90/52/94/388905294.db2.gz FHWDHPZIUFKDEX-UHFFFAOYSA-N 2 1 243.351 -0.094 20 0 BBADMP C[C@H]1C(=O)NCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000564989451 388905879 /nfs/dbraw/zinc/90/58/79/388905879.db2.gz LLPAVRJSRIEXSH-NSHDSACASA-N 2 1 240.351 -0.898 20 0 BBADMP C[C@H]1C(=O)NCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000564989451 388905877 /nfs/dbraw/zinc/90/58/77/388905877.db2.gz LLPAVRJSRIEXSH-NSHDSACASA-N 2 1 240.351 -0.898 20 0 BBADMP [NH3+]C[C@H]1CC[C@@H](NC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000564996832 325843783 /nfs/dbraw/zinc/84/37/83/325843783.db2.gz YYBZMCNRXAEAQW-DJLDLDEBSA-N 2 1 229.349 -0.108 20 0 BBADMP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000564996844 325843739 /nfs/dbraw/zinc/84/37/39/325843739.db2.gz YYBZMCNRXAEAQW-XHNCKOQMSA-N 2 1 229.349 -0.108 20 0 BBADMP CN(CC[NH3+])CCC[NH+]1CCOCC1 ZINC000565044007 345220658 /nfs/dbraw/zinc/22/06/58/345220658.db2.gz LXECOCQMHWAKQZ-UHFFFAOYSA-N 2 1 201.314 -0.401 20 0 BBADMP CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2CCC[C@H]2[NH3+])C1 ZINC000565060365 388912712 /nfs/dbraw/zinc/91/27/12/388912712.db2.gz AQNOZFNTIRZGDA-AEJSXWLSSA-N 2 1 247.364 -0.510 20 0 BBADMP CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2CCC[C@@H]2[NH3+])C1 ZINC000565060370 325852524 /nfs/dbraw/zinc/85/25/24/325852524.db2.gz AQNOZFNTIRZGDA-GUBZILKMSA-N 2 1 247.364 -0.510 20 0 BBADMP CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[NH3+])C1 ZINC000565060371 325852581 /nfs/dbraw/zinc/85/25/81/325852581.db2.gz AQNOZFNTIRZGDA-IVZWLZJFSA-N 2 1 247.364 -0.510 20 0 BBADMP CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000565060372 398054298 /nfs/dbraw/zinc/05/42/98/398054298.db2.gz AQNOZFNTIRZGDA-LPEHRKFASA-N 2 1 247.364 -0.510 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)C[C@H](C)C(=O)OC ZINC000565095571 388913911 /nfs/dbraw/zinc/91/39/11/388913911.db2.gz BOJPKJJFAUYTGJ-GXSJLCMTSA-N 2 1 232.324 -0.302 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)C[C@@H](C)C(=O)OC ZINC000565095572 388913346 /nfs/dbraw/zinc/91/33/46/388913346.db2.gz BOJPKJJFAUYTGJ-KOLCDFICSA-N 2 1 232.324 -0.302 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)C[C@@H](C)C(=O)OC ZINC000565095573 388914114 /nfs/dbraw/zinc/91/41/14/388914114.db2.gz BOJPKJJFAUYTGJ-MWLCHTKSSA-N 2 1 232.324 -0.302 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)C[C@H](C)C(=O)OC ZINC000565095574 388913616 /nfs/dbraw/zinc/91/36/16/388913616.db2.gz BOJPKJJFAUYTGJ-ONGXEEELSA-N 2 1 232.324 -0.302 20 0 BBADMP CC(C)([NH3+])CNC(=O)CC(F)(F)C[NH3+] ZINC000565146758 323032273 /nfs/dbraw/zinc/03/22/73/323032273.db2.gz FLLWQQRHXCSJNO-UHFFFAOYSA-N 2 1 209.240 -0.176 20 0 BBADMP C[C@@H]1C[NH2+]CCN1C(=O)CC(F)(F)C[NH3+] ZINC000565150147 388917781 /nfs/dbraw/zinc/91/77/81/388917781.db2.gz BGJPUAAQZSCZCY-SSDOTTSWSA-N 2 1 221.251 -0.209 20 0 BBADMP [NH3+]CC(F)(F)CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000565150755 388917749 /nfs/dbraw/zinc/91/77/49/388917749.db2.gz HNDLTKMHDZYDCQ-OCAPTIKFSA-N 2 1 233.262 -0.352 20 0 BBADMP [NH3+]CC(F)(F)CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000565151734 388919216 /nfs/dbraw/zinc/91/92/16/388919216.db2.gz PFWFSZRWEYOECR-SSDOTTSWSA-N 2 1 221.251 -0.080 20 0 BBADMP Cc1[nH+]ccn1CCC[NH2+]C(CO)CO ZINC000565166251 388920683 /nfs/dbraw/zinc/92/06/83/388920683.db2.gz UHIYSFGXPXDMGG-UHFFFAOYSA-N 2 1 213.281 -0.476 20 0 BBADMP COCC[N@@H+](C)CCCNC(=O)C1([NH3+])CCC1 ZINC000565360739 388939635 /nfs/dbraw/zinc/93/96/35/388939635.db2.gz SRBDSKPUGWTSDJ-UHFFFAOYSA-N 2 1 243.351 -0.048 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CC[C@@H](C)O ZINC000565368366 388940731 /nfs/dbraw/zinc/94/07/31/388940731.db2.gz NSGXBOYLSQJHRI-NXEZZACHSA-N 2 1 204.314 -0.341 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CC[C@H](C)O ZINC000565368387 388940561 /nfs/dbraw/zinc/94/05/61/388940561.db2.gz NSGXBOYLSQJHRI-UWVGGRQHSA-N 2 1 204.314 -0.341 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CC[C@H](C)O ZINC000565368388 388940284 /nfs/dbraw/zinc/94/02/84/388940284.db2.gz NSGXBOYLSQJHRI-VHSXEESVSA-N 2 1 204.314 -0.341 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CC[C@@H](C)O ZINC000565368389 388939991 /nfs/dbraw/zinc/93/99/91/388939991.db2.gz NSGXBOYLSQJHRI-ZJUUUORDSA-N 2 1 204.314 -0.341 20 0 BBADMP [NH3+]C[C@@H]1CN(C(=O)CC(F)(F)C[NH3+])CCO1 ZINC000565426335 388944697 /nfs/dbraw/zinc/94/46/97/388944697.db2.gz FHMMTQYQSJPJOV-SSDOTTSWSA-N 2 1 237.250 -0.843 20 0 BBADMP [NH3+]C[C@H]1CN(C(=O)CC(F)(F)C[NH3+])CCO1 ZINC000565426336 325909580 /nfs/dbraw/zinc/90/95/80/325909580.db2.gz FHMMTQYQSJPJOV-ZETCQYMHSA-N 2 1 237.250 -0.843 20 0 BBADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H]1COC ZINC000565430383 388945052 /nfs/dbraw/zinc/94/50/52/388945052.db2.gz MQDFKAIYBDXYDF-NEPJUHHUSA-N 2 1 246.351 -0.354 20 0 BBADMP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@@H]1COC ZINC000565430383 388945049 /nfs/dbraw/zinc/94/50/49/388945049.db2.gz MQDFKAIYBDXYDF-NEPJUHHUSA-N 2 1 246.351 -0.354 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H]1COC ZINC000565430383 388945047 /nfs/dbraw/zinc/94/50/47/388945047.db2.gz MQDFKAIYBDXYDF-NEPJUHHUSA-N 2 1 246.351 -0.354 20 0 BBADMP COCCN(C)C[C@@H](O)C[N@H+]1CC[C@H]1COC ZINC000565430385 388944486 /nfs/dbraw/zinc/94/44/86/388944486.db2.gz MQDFKAIYBDXYDF-NWDGAFQWSA-N 2 1 246.351 -0.354 20 0 BBADMP COCCN(C)C[C@@H](O)C[N@@H+]1CC[C@H]1COC ZINC000565430385 388944484 /nfs/dbraw/zinc/94/44/84/388944484.db2.gz MQDFKAIYBDXYDF-NWDGAFQWSA-N 2 1 246.351 -0.354 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[C@H]1COC ZINC000565430385 388944482 /nfs/dbraw/zinc/94/44/82/388944482.db2.gz MQDFKAIYBDXYDF-NWDGAFQWSA-N 2 1 246.351 -0.354 20 0 BBADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@H]1COC ZINC000565430386 388945087 /nfs/dbraw/zinc/94/50/87/388945087.db2.gz MQDFKAIYBDXYDF-RYUDHWBXSA-N 2 1 246.351 -0.354 20 0 BBADMP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@H]1COC ZINC000565430386 388945085 /nfs/dbraw/zinc/94/50/85/388945085.db2.gz MQDFKAIYBDXYDF-RYUDHWBXSA-N 2 1 246.351 -0.354 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@H]1COC ZINC000565430386 388945082 /nfs/dbraw/zinc/94/50/82/388945082.db2.gz MQDFKAIYBDXYDF-RYUDHWBXSA-N 2 1 246.351 -0.354 20 0 BBADMP COCCN(C)C[C@@H](O)C[N@H+]1CC[C@@H]1COC ZINC000565430388 388944560 /nfs/dbraw/zinc/94/45/60/388944560.db2.gz MQDFKAIYBDXYDF-VXGBXAGGSA-N 2 1 246.351 -0.354 20 0 BBADMP COCCN(C)C[C@@H](O)C[N@@H+]1CC[C@@H]1COC ZINC000565430388 388944557 /nfs/dbraw/zinc/94/45/57/388944557.db2.gz MQDFKAIYBDXYDF-VXGBXAGGSA-N 2 1 246.351 -0.354 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[C@@H]1COC ZINC000565430388 388944554 /nfs/dbraw/zinc/94/45/54/388944554.db2.gz MQDFKAIYBDXYDF-VXGBXAGGSA-N 2 1 246.351 -0.354 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C(=O)NC)C1 ZINC000565488822 388948555 /nfs/dbraw/zinc/94/85/55/388948555.db2.gz GRSLVVAEBSTGKN-GHMZBOCLSA-N 2 1 243.351 -0.633 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C(=O)NC)C1 ZINC000565488822 388948552 /nfs/dbraw/zinc/94/85/52/388948552.db2.gz GRSLVVAEBSTGKN-GHMZBOCLSA-N 2 1 243.351 -0.633 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C(=O)NC)C1 ZINC000565488822 388948550 /nfs/dbraw/zinc/94/85/50/388948550.db2.gz GRSLVVAEBSTGKN-GHMZBOCLSA-N 2 1 243.351 -0.633 20 0 BBADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C(=O)NC)C1 ZINC000565488822 388948546 /nfs/dbraw/zinc/94/85/46/388948546.db2.gz GRSLVVAEBSTGKN-GHMZBOCLSA-N 2 1 243.351 -0.633 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](C(=O)NC)C1 ZINC000565488822 388948543 /nfs/dbraw/zinc/94/85/43/388948543.db2.gz GRSLVVAEBSTGKN-GHMZBOCLSA-N 2 1 243.351 -0.633 20 0 BBADMP CC[N@H+](C)C[C@@H](O)CN1CC[C@@H](C(=O)NC)C1 ZINC000565488822 388948540 /nfs/dbraw/zinc/94/85/40/388948540.db2.gz GRSLVVAEBSTGKN-GHMZBOCLSA-N 2 1 243.351 -0.633 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C(=O)NC)C1 ZINC000565488823 388948861 /nfs/dbraw/zinc/94/88/61/388948861.db2.gz GRSLVVAEBSTGKN-MNOVXSKESA-N 2 1 243.351 -0.633 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C(=O)NC)C1 ZINC000565488823 388948859 /nfs/dbraw/zinc/94/88/59/388948859.db2.gz GRSLVVAEBSTGKN-MNOVXSKESA-N 2 1 243.351 -0.633 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(=O)NC)C1 ZINC000565488823 388948857 /nfs/dbraw/zinc/94/88/57/388948857.db2.gz GRSLVVAEBSTGKN-MNOVXSKESA-N 2 1 243.351 -0.633 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(=O)NC)C1 ZINC000565488823 388948855 /nfs/dbraw/zinc/94/88/55/388948855.db2.gz GRSLVVAEBSTGKN-MNOVXSKESA-N 2 1 243.351 -0.633 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@@H](C(=O)NC)C1 ZINC000565488823 388948853 /nfs/dbraw/zinc/94/88/53/388948853.db2.gz GRSLVVAEBSTGKN-MNOVXSKESA-N 2 1 243.351 -0.633 20 0 BBADMP CC[N@H+](C)C[C@H](O)CN1CC[C@@H](C(=O)NC)C1 ZINC000565488823 388948850 /nfs/dbraw/zinc/94/88/50/388948850.db2.gz GRSLVVAEBSTGKN-MNOVXSKESA-N 2 1 243.351 -0.633 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C(=O)NC)C1 ZINC000565488824 388948606 /nfs/dbraw/zinc/94/86/06/388948606.db2.gz GRSLVVAEBSTGKN-QWRGUYRKSA-N 2 1 243.351 -0.633 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C(=O)NC)C1 ZINC000565488824 388948604 /nfs/dbraw/zinc/94/86/04/388948604.db2.gz GRSLVVAEBSTGKN-QWRGUYRKSA-N 2 1 243.351 -0.633 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(=O)NC)C1 ZINC000565488824 388948602 /nfs/dbraw/zinc/94/86/02/388948602.db2.gz GRSLVVAEBSTGKN-QWRGUYRKSA-N 2 1 243.351 -0.633 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(=O)NC)C1 ZINC000565488824 388948597 /nfs/dbraw/zinc/94/85/97/388948597.db2.gz GRSLVVAEBSTGKN-QWRGUYRKSA-N 2 1 243.351 -0.633 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@H](C(=O)NC)C1 ZINC000565488824 388948594 /nfs/dbraw/zinc/94/85/94/388948594.db2.gz GRSLVVAEBSTGKN-QWRGUYRKSA-N 2 1 243.351 -0.633 20 0 BBADMP CC[N@H+](C)C[C@H](O)CN1CC[C@H](C(=O)NC)C1 ZINC000565488824 388948591 /nfs/dbraw/zinc/94/85/91/388948591.db2.gz GRSLVVAEBSTGKN-QWRGUYRKSA-N 2 1 243.351 -0.633 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](C(=O)NC)C1 ZINC000565488825 388948791 /nfs/dbraw/zinc/94/87/91/388948791.db2.gz GRSLVVAEBSTGKN-WDEREUQCSA-N 2 1 243.351 -0.633 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](C(=O)NC)C1 ZINC000565488825 388948787 /nfs/dbraw/zinc/94/87/87/388948787.db2.gz GRSLVVAEBSTGKN-WDEREUQCSA-N 2 1 243.351 -0.633 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(=O)NC)C1 ZINC000565488825 388948784 /nfs/dbraw/zinc/94/87/84/388948784.db2.gz GRSLVVAEBSTGKN-WDEREUQCSA-N 2 1 243.351 -0.633 20 0 BBADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(=O)NC)C1 ZINC000565488825 388948780 /nfs/dbraw/zinc/94/87/80/388948780.db2.gz GRSLVVAEBSTGKN-WDEREUQCSA-N 2 1 243.351 -0.633 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)CN1CC[C@H](C(=O)NC)C1 ZINC000565488825 388948776 /nfs/dbraw/zinc/94/87/76/388948776.db2.gz GRSLVVAEBSTGKN-WDEREUQCSA-N 2 1 243.351 -0.633 20 0 BBADMP CC[N@H+](C)C[C@@H](O)CN1CC[C@H](C(=O)NC)C1 ZINC000565488825 388948770 /nfs/dbraw/zinc/94/87/70/388948770.db2.gz GRSLVVAEBSTGKN-WDEREUQCSA-N 2 1 243.351 -0.633 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000565599624 388957493 /nfs/dbraw/zinc/95/74/93/388957493.db2.gz XIUTVYYRGLKMNI-OLQVQODUSA-N 2 1 207.224 -0.566 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C[C@H](C)[NH3+])C1 ZINC000565718957 388965940 /nfs/dbraw/zinc/96/59/40/388965940.db2.gz TUFBQOVBSIIBMD-AXFHLTTASA-N 2 1 243.351 -0.051 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C[C@H](C)[NH3+])C1 ZINC000565718957 388965935 /nfs/dbraw/zinc/96/59/35/388965935.db2.gz TUFBQOVBSIIBMD-AXFHLTTASA-N 2 1 243.351 -0.051 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000565718962 388966444 /nfs/dbraw/zinc/96/64/44/388966444.db2.gz TUFBQOVBSIIBMD-DCAQKATOSA-N 2 1 243.351 -0.051 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000565718962 388966442 /nfs/dbraw/zinc/96/64/42/388966442.db2.gz TUFBQOVBSIIBMD-DCAQKATOSA-N 2 1 243.351 -0.051 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C[C@@H](C)[NH3+])C1 ZINC000565718964 388965870 /nfs/dbraw/zinc/96/58/70/388965870.db2.gz TUFBQOVBSIIBMD-MXWKQRLJSA-N 2 1 243.351 -0.051 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C[C@@H](C)[NH3+])C1 ZINC000565718964 388965866 /nfs/dbraw/zinc/96/58/66/388965866.db2.gz TUFBQOVBSIIBMD-MXWKQRLJSA-N 2 1 243.351 -0.051 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000565718966 388965998 /nfs/dbraw/zinc/96/59/98/388965998.db2.gz TUFBQOVBSIIBMD-VWYCJHECSA-N 2 1 243.351 -0.051 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000565718966 388965992 /nfs/dbraw/zinc/96/59/92/388965992.db2.gz TUFBQOVBSIIBMD-VWYCJHECSA-N 2 1 243.351 -0.051 20 0 BBADMP C[N@@H+](CCNC(=O)[C@]12C[C@H]1CC[NH2+]2)C1CC1 ZINC000565719845 388966510 /nfs/dbraw/zinc/96/65/10/388966510.db2.gz RLEAYIAGYDUAMD-SKDRFNHKSA-N 2 1 223.320 -0.051 20 0 BBADMP C[NH2+][C@@H](C)C(=O)NCCC[N@@H+](C)CCOC ZINC000565842322 388972150 /nfs/dbraw/zinc/97/21/50/388972150.db2.gz CZEKDTJYRQGWGG-JTQLQIEISA-N 2 1 231.340 -0.321 20 0 BBADMP C[NH2+]CCCC(=O)NCC[N@H+]1CCCOCC1 ZINC000565889337 388976542 /nfs/dbraw/zinc/97/65/42/388976542.db2.gz BINSJPJSKQKEKE-UHFFFAOYSA-N 2 1 243.351 -0.176 20 0 BBADMP [NH3+]C1(CNCCN2CC[NH2+]CC2)CCC1 ZINC000565951462 388980350 /nfs/dbraw/zinc/98/03/50/388980350.db2.gz QWRJRTXLAZKSQI-UHFFFAOYSA-N 2 1 212.341 -0.637 20 0 BBADMP NC1(C[NH2+]CCN2CC[NH2+]CC2)CCC1 ZINC000565951462 388980348 /nfs/dbraw/zinc/98/03/48/388980348.db2.gz QWRJRTXLAZKSQI-UHFFFAOYSA-N 2 1 212.341 -0.637 20 0 BBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C[NH3+] ZINC000565952305 388980240 /nfs/dbraw/zinc/98/02/40/388980240.db2.gz PTJZAODDLAXHFG-UHFFFAOYSA-N 2 1 243.351 -0.238 20 0 BBADMP CCSCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565961744 388982103 /nfs/dbraw/zinc/98/21/03/388982103.db2.gz DRSWWQUCQUUUQJ-NXEZZACHSA-N 2 1 243.376 -0.017 20 0 BBADMP CCSCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565961744 388982101 /nfs/dbraw/zinc/98/21/01/388982101.db2.gz DRSWWQUCQUUUQJ-NXEZZACHSA-N 2 1 243.376 -0.017 20 0 BBADMP CCSCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565961745 388982453 /nfs/dbraw/zinc/98/24/53/388982453.db2.gz DRSWWQUCQUUUQJ-UWVGGRQHSA-N 2 1 243.376 -0.017 20 0 BBADMP CCSCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565961745 388982448 /nfs/dbraw/zinc/98/24/48/388982448.db2.gz DRSWWQUCQUUUQJ-UWVGGRQHSA-N 2 1 243.376 -0.017 20 0 BBADMP CCSCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565961746 388981896 /nfs/dbraw/zinc/98/18/96/388981896.db2.gz DRSWWQUCQUUUQJ-VHSXEESVSA-N 2 1 243.376 -0.017 20 0 BBADMP CCSCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565961746 388981893 /nfs/dbraw/zinc/98/18/93/388981893.db2.gz DRSWWQUCQUUUQJ-VHSXEESVSA-N 2 1 243.376 -0.017 20 0 BBADMP CCSCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565961747 388981314 /nfs/dbraw/zinc/98/13/14/388981314.db2.gz DRSWWQUCQUUUQJ-ZJUUUORDSA-N 2 1 243.376 -0.017 20 0 BBADMP CCSCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565961747 388981311 /nfs/dbraw/zinc/98/13/11/388981311.db2.gz DRSWWQUCQUUUQJ-ZJUUUORDSA-N 2 1 243.376 -0.017 20 0 BBADMP [NH3+][C@@H]1CCC[C@@H](NCC(=O)N2CC[NH2+]CC2)C1 ZINC000566020316 325985809 /nfs/dbraw/zinc/98/58/09/325985809.db2.gz MKDPBUHHCXHVPD-GHMZBOCLSA-N 2 1 240.351 -0.722 20 0 BBADMP [NH3+][C@@H]1CCC[C@H](NCC(=O)N2CC[NH2+]CC2)C1 ZINC000566020317 325985778 /nfs/dbraw/zinc/98/57/78/325985778.db2.gz MKDPBUHHCXHVPD-MNOVXSKESA-N 2 1 240.351 -0.722 20 0 BBADMP [NH3+][C@H]1CCC[C@H](NCC(=O)N2CC[NH2+]CC2)C1 ZINC000566020318 388984884 /nfs/dbraw/zinc/98/48/84/388984884.db2.gz MKDPBUHHCXHVPD-QWRGUYRKSA-N 2 1 240.351 -0.722 20 0 BBADMP [NH3+][C@H]1CCC[C@@H](NCC(=O)N2CC[NH2+]CC2)C1 ZINC000566020319 325986115 /nfs/dbraw/zinc/98/61/15/325986115.db2.gz MKDPBUHHCXHVPD-WDEREUQCSA-N 2 1 240.351 -0.722 20 0 BBADMP CC[NH2+]CCC[NH2+][C@@H]1CCN[C@H]1C(=O)OCC ZINC000566088230 388986213 /nfs/dbraw/zinc/98/62/13/388986213.db2.gz NKMWRDKHHPSCBT-GHMZBOCLSA-N 2 1 243.351 -0.131 20 0 BBADMP CC[NH2+]CCC[NH2+][C@@H]1CCN[C@@H]1C(=O)OCC ZINC000566088232 388986774 /nfs/dbraw/zinc/98/67/74/388986774.db2.gz NKMWRDKHHPSCBT-MNOVXSKESA-N 2 1 243.351 -0.131 20 0 BBADMP CC[NH2+]CCC[NH2+][C@H]1CCN[C@@H]1C(=O)OCC ZINC000566088233 325992069 /nfs/dbraw/zinc/99/20/69/325992069.db2.gz NKMWRDKHHPSCBT-QWRGUYRKSA-N 2 1 243.351 -0.131 20 0 BBADMP CC[NH2+]CCC[NH2+][C@H]1CCN[C@H]1C(=O)OCC ZINC000566088234 325992118 /nfs/dbraw/zinc/99/21/18/325992118.db2.gz NKMWRDKHHPSCBT-WDEREUQCSA-N 2 1 243.351 -0.131 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000566102170 325994825 /nfs/dbraw/zinc/99/48/25/325994825.db2.gz SCKVZHIVZMOVSB-BQBZGAKWSA-N 2 1 237.250 -0.974 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000566102171 325995179 /nfs/dbraw/zinc/99/51/79/325995179.db2.gz SCKVZHIVZMOVSB-NKWVEPMBSA-N 2 1 237.250 -0.974 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000566102172 388987146 /nfs/dbraw/zinc/98/71/46/388987146.db2.gz SCKVZHIVZMOVSB-RNFRBKRXSA-N 2 1 237.250 -0.974 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000566102173 388987336 /nfs/dbraw/zinc/98/73/36/388987336.db2.gz SCKVZHIVZMOVSB-RQJHMYQMSA-N 2 1 237.250 -0.974 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000566207418 326013743 /nfs/dbraw/zinc/01/37/43/326013743.db2.gz DJBUEYCKGCWLQG-LLVKDONJSA-N 2 1 243.351 -0.097 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000566207419 326013677 /nfs/dbraw/zinc/01/36/77/326013677.db2.gz DJBUEYCKGCWLQG-NSHDSACASA-N 2 1 243.351 -0.097 20 0 BBADMP C[C@H](CN)[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000566225372 326018449 /nfs/dbraw/zinc/01/84/49/326018449.db2.gz IRERZSGTNSPVIR-GHMZBOCLSA-N 2 1 242.367 -0.537 20 0 BBADMP C[C@H](CN)[N@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000566225372 326018446 /nfs/dbraw/zinc/01/84/46/326018446.db2.gz IRERZSGTNSPVIR-GHMZBOCLSA-N 2 1 242.367 -0.537 20 0 BBADMP C[C@H](CN)[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000566225373 326018614 /nfs/dbraw/zinc/01/86/14/326018614.db2.gz IRERZSGTNSPVIR-MNOVXSKESA-N 2 1 242.367 -0.537 20 0 BBADMP C[C@H](CN)[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000566225373 326018613 /nfs/dbraw/zinc/01/86/13/326018613.db2.gz IRERZSGTNSPVIR-MNOVXSKESA-N 2 1 242.367 -0.537 20 0 BBADMP C[C@@H](CN)[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000566225374 326018227 /nfs/dbraw/zinc/01/82/27/326018227.db2.gz IRERZSGTNSPVIR-QWRGUYRKSA-N 2 1 242.367 -0.537 20 0 BBADMP C[C@@H](CN)[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000566225374 326018224 /nfs/dbraw/zinc/01/82/24/326018224.db2.gz IRERZSGTNSPVIR-QWRGUYRKSA-N 2 1 242.367 -0.537 20 0 BBADMP C[C@@H](CN)[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000566225375 326018174 /nfs/dbraw/zinc/01/81/74/326018174.db2.gz IRERZSGTNSPVIR-WDEREUQCSA-N 2 1 242.367 -0.537 20 0 BBADMP C[C@@H](CN)[N@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000566225375 326018172 /nfs/dbraw/zinc/01/81/72/326018172.db2.gz IRERZSGTNSPVIR-WDEREUQCSA-N 2 1 242.367 -0.537 20 0 BBADMP CC1(C)C[NH2+]CC[C@H]1NCCN1CC[NH2+]CC1 ZINC000566245219 326022348 /nfs/dbraw/zinc/02/23/48/326022348.db2.gz LGEQSRDEAFHFEL-GFCCVEGCSA-N 2 1 240.395 -0.131 20 0 BBADMP CC1(C)C[NH2+]CC[C@@H]1NCCN1CC[NH2+]CC1 ZINC000566245220 326022708 /nfs/dbraw/zinc/02/27/08/326022708.db2.gz LGEQSRDEAFHFEL-LBPRGKRZSA-N 2 1 240.395 -0.131 20 0 BBADMP CCN1CCC[N@@H+](CCOCC[NH3+])CC1=O ZINC000566245235 326022488 /nfs/dbraw/zinc/02/24/88/326022488.db2.gz NBMKDUKJIHSABQ-UHFFFAOYSA-N 2 1 229.324 -0.484 20 0 BBADMP CCN1CCC[N@H+](CCOCC[NH3+])CC1=O ZINC000566245235 326022484 /nfs/dbraw/zinc/02/24/84/326022484.db2.gz NBMKDUKJIHSABQ-UHFFFAOYSA-N 2 1 229.324 -0.484 20 0 BBADMP OCC[N@@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000566246221 326022633 /nfs/dbraw/zinc/02/26/33/326022633.db2.gz QMGLOAWAXYOGKN-UHFFFAOYSA-N 2 1 213.325 -0.652 20 0 BBADMP [NH3+]CC[C@H](NC(=O)[C@H]1CSC[NH2+]1)C(F)F ZINC000566250821 326024812 /nfs/dbraw/zinc/02/48/12/326024812.db2.gz MFCYMTYGRJTBIN-NTSWFWBYSA-N 2 1 239.291 -0.252 20 0 BBADMP [NH3+]CC[C@@H](NC(=O)[C@H]1CSC[NH2+]1)C(F)F ZINC000566250822 326024781 /nfs/dbraw/zinc/02/47/81/326024781.db2.gz MFCYMTYGRJTBIN-PHDIDXHHSA-N 2 1 239.291 -0.252 20 0 BBADMP [NH3+]CC[C@@H](NC(=O)[C@@H]1CSC[NH2+]1)C(F)F ZINC000566250823 326024747 /nfs/dbraw/zinc/02/47/47/326024747.db2.gz MFCYMTYGRJTBIN-RITPCOANSA-N 2 1 239.291 -0.252 20 0 BBADMP [NH3+]CC[C@H](NC(=O)[C@@H]1CSC[NH2+]1)C(F)F ZINC000566250824 326024642 /nfs/dbraw/zinc/02/46/42/326024642.db2.gz MFCYMTYGRJTBIN-WDSKDSINSA-N 2 1 239.291 -0.252 20 0 BBADMP O=C([C@H]1CSC[NH2+]1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000566251106 326024683 /nfs/dbraw/zinc/02/46/83/326024683.db2.gz MKHFDXIJMSVFKG-IVZWLZJFSA-N 2 1 241.360 -0.141 20 0 BBADMP O=C([C@H]1CSC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000566251110 326024767 /nfs/dbraw/zinc/02/47/67/326024767.db2.gz MKHFDXIJMSVFKG-KXUCPTDWSA-N 2 1 241.360 -0.141 20 0 BBADMP O=C([C@H]1CSC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000566251112 326024671 /nfs/dbraw/zinc/02/46/71/326024671.db2.gz MKHFDXIJMSVFKG-LPEHRKFASA-N 2 1 241.360 -0.141 20 0 BBADMP O=C([C@H]1CSC[NH2+]1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000566251113 326024664 /nfs/dbraw/zinc/02/46/64/326024664.db2.gz MKHFDXIJMSVFKG-OPRDCNLKSA-N 2 1 241.360 -0.141 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](OC)C1 ZINC000566351090 326036232 /nfs/dbraw/zinc/03/62/32/326036232.db2.gz JWADQRCGWINJBX-UWVGGRQHSA-N 2 1 202.298 -0.323 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](OC)C1 ZINC000566351091 326036013 /nfs/dbraw/zinc/03/60/13/326036013.db2.gz JWADQRCGWINJBX-VHSXEESVSA-N 2 1 202.298 -0.323 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCCOCC1 ZINC000566352016 326036269 /nfs/dbraw/zinc/03/62/69/326036269.db2.gz RATZAXYHLAOKTQ-JTQLQIEISA-N 2 1 202.298 -0.321 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCOCC1 ZINC000566352016 326036268 /nfs/dbraw/zinc/03/62/68/326036268.db2.gz RATZAXYHLAOKTQ-JTQLQIEISA-N 2 1 202.298 -0.321 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCOCC1 ZINC000566352017 326036282 /nfs/dbraw/zinc/03/62/82/326036282.db2.gz RATZAXYHLAOKTQ-SNVBAGLBSA-N 2 1 202.298 -0.321 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCOCC1 ZINC000566352017 326036280 /nfs/dbraw/zinc/03/62/80/326036280.db2.gz RATZAXYHLAOKTQ-SNVBAGLBSA-N 2 1 202.298 -0.321 20 0 BBADMP [NH3+]CC(F)(F)CC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000566407339 322992947 /nfs/dbraw/zinc/99/29/47/322992947.db2.gz RSIHKVKBXARVCO-SSDOTTSWSA-N 2 1 221.251 -0.176 20 0 BBADMP [NH3+]CC(F)(F)CC(=O)NC[C@H]([NH3+])C1CC1 ZINC000566407349 384391035 /nfs/dbraw/zinc/39/10/35/384391035.db2.gz RSIHKVKBXARVCO-ZETCQYMHSA-N 2 1 221.251 -0.176 20 0 BBADMP C[N@H+]1CC[C@@]2(CCN([C@@H]3CC(=O)NC3=O)C2)C1 ZINC000566412659 326041513 /nfs/dbraw/zinc/04/15/13/326041513.db2.gz IYAJTYJCRVITDD-BXKDBHETSA-N 2 1 237.303 -0.571 20 0 BBADMP C[N@H+]1CC[C@]2(CCN([C@H]3CC(=O)NC3=O)C2)C1 ZINC000566412660 326040938 /nfs/dbraw/zinc/04/09/38/326040938.db2.gz IYAJTYJCRVITDD-CABZTGNLSA-N 2 1 237.303 -0.571 20 0 BBADMP C[N@H+]1CC[C@@]2(CCN([C@H]3CC(=O)NC3=O)C2)C1 ZINC000566412661 326041294 /nfs/dbraw/zinc/04/12/94/326041294.db2.gz IYAJTYJCRVITDD-JOYOIKCWSA-N 2 1 237.303 -0.571 20 0 BBADMP C[N@H+]1CC[C@]2(CCN([C@@H]3CC(=O)NC3=O)C2)C1 ZINC000566412663 326041330 /nfs/dbraw/zinc/04/13/30/326041330.db2.gz IYAJTYJCRVITDD-SKDRFNHKSA-N 2 1 237.303 -0.571 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)N(C)CCC[NH3+] ZINC000566513357 326061388 /nfs/dbraw/zinc/06/13/88/326061388.db2.gz WTGAIEOOPBPBLC-UHFFFAOYSA-N 2 1 246.355 -0.445 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H](COC)C1 ZINC000566566681 326064641 /nfs/dbraw/zinc/06/46/41/326064641.db2.gz FNAGNUIUUMIVHV-GHMZBOCLSA-N 2 1 216.325 -0.075 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](COC)C1 ZINC000566566684 326064876 /nfs/dbraw/zinc/06/48/76/326064876.db2.gz FNAGNUIUUMIVHV-MNOVXSKESA-N 2 1 216.325 -0.075 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](COC)C1 ZINC000566566685 326064733 /nfs/dbraw/zinc/06/47/33/326064733.db2.gz FNAGNUIUUMIVHV-QWRGUYRKSA-N 2 1 216.325 -0.075 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](COC)C1 ZINC000566566686 326064677 /nfs/dbraw/zinc/06/46/77/326064677.db2.gz FNAGNUIUUMIVHV-WDEREUQCSA-N 2 1 216.325 -0.075 20 0 BBADMP C[C@@H]1CN(C(=O)CC(F)(F)C[NH3+])CC[NH2+]1 ZINC000566569013 326065256 /nfs/dbraw/zinc/06/52/56/326065256.db2.gz ZQBWZUSNPYYLKU-SSDOTTSWSA-N 2 1 221.251 -0.209 20 0 BBADMP C[C@H]1CC[N@@H+](CCNC(=O)COC2C[NH2+]C2)C1 ZINC000566740080 326079042 /nfs/dbraw/zinc/07/90/42/326079042.db2.gz NFRXSPHPPCJWLV-JTQLQIEISA-N 2 1 241.335 -0.567 20 0 BBADMP C[C@@H]1CC[N@@H+](CCNC(=O)COC2C[NH2+]C2)C1 ZINC000566740081 326078924 /nfs/dbraw/zinc/07/89/24/326078924.db2.gz NFRXSPHPPCJWLV-SNVBAGLBSA-N 2 1 241.335 -0.567 20 0 BBADMP C[C@@H]([NH3+])C(=O)NCC[N@H+]1CCCOCC1 ZINC000566795082 326083513 /nfs/dbraw/zinc/08/35/13/326083513.db2.gz JKBRQTPVSZTPNQ-SECBINFHSA-N 2 1 215.297 -0.828 20 0 BBADMP C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCCOCC1 ZINC000566795082 326083511 /nfs/dbraw/zinc/08/35/11/326083511.db2.gz JKBRQTPVSZTPNQ-SECBINFHSA-N 2 1 215.297 -0.828 20 0 BBADMP C[C@H]([NH3+])C(=O)NCC[N@H+]1CCCOCC1 ZINC000566795086 326083380 /nfs/dbraw/zinc/08/33/80/326083380.db2.gz JKBRQTPVSZTPNQ-VIFPVBQESA-N 2 1 215.297 -0.828 20 0 BBADMP C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCCOCC1 ZINC000566795086 326083377 /nfs/dbraw/zinc/08/33/77/326083377.db2.gz JKBRQTPVSZTPNQ-VIFPVBQESA-N 2 1 215.297 -0.828 20 0 BBADMP C[C@@]1(C[N@H+]2CCC[C@@](O)(CO)C2)CC[NH2+]C1 ZINC000566797219 326083827 /nfs/dbraw/zinc/08/38/27/326083827.db2.gz SIFKXQZZJAUQOX-NEPJUHHUSA-N 2 1 228.336 -0.195 20 0 BBADMP C[C@]1(C[N@H+]2CCC[C@](O)(CO)C2)CC[NH2+]C1 ZINC000566797221 326084030 /nfs/dbraw/zinc/08/40/30/326084030.db2.gz SIFKXQZZJAUQOX-NWDGAFQWSA-N 2 1 228.336 -0.195 20 0 BBADMP C[C@]1(C[N@H+]2CCC[C@@](O)(CO)C2)CC[NH2+]C1 ZINC000566797222 326083972 /nfs/dbraw/zinc/08/39/72/326083972.db2.gz SIFKXQZZJAUQOX-RYUDHWBXSA-N 2 1 228.336 -0.195 20 0 BBADMP C[C@@]1(C[N@H+]2CCC[C@](O)(CO)C2)CC[NH2+]C1 ZINC000566797223 326084049 /nfs/dbraw/zinc/08/40/49/326084049.db2.gz SIFKXQZZJAUQOX-VXGBXAGGSA-N 2 1 228.336 -0.195 20 0 BBADMP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000566852557 323019023 /nfs/dbraw/zinc/01/90/23/323019023.db2.gz HNNAUBPLIXALGX-BDAKNGLRSA-N 2 1 243.307 -0.913 20 0 BBADMP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000566852557 323019022 /nfs/dbraw/zinc/01/90/22/323019022.db2.gz HNNAUBPLIXALGX-BDAKNGLRSA-N 2 1 243.307 -0.913 20 0 BBADMP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000566852559 323018973 /nfs/dbraw/zinc/01/89/73/323018973.db2.gz HNNAUBPLIXALGX-IUCAKERBSA-N 2 1 243.307 -0.913 20 0 BBADMP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000566852559 323018972 /nfs/dbraw/zinc/01/89/72/323018972.db2.gz HNNAUBPLIXALGX-IUCAKERBSA-N 2 1 243.307 -0.913 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000566855049 326088478 /nfs/dbraw/zinc/08/84/78/326088478.db2.gz KMRBEIUDTAHHTP-PSASIEDQSA-N 2 1 233.287 -0.880 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000566855050 326088132 /nfs/dbraw/zinc/08/81/32/326088132.db2.gz KMRBEIUDTAHHTP-SCZZXKLOSA-N 2 1 233.287 -0.880 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000566855051 326088176 /nfs/dbraw/zinc/08/81/76/326088176.db2.gz KMRBEIUDTAHHTP-WCBMZHEXSA-N 2 1 233.287 -0.880 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000566855052 326088191 /nfs/dbraw/zinc/08/81/91/326088191.db2.gz KMRBEIUDTAHHTP-WPRPVWTQSA-N 2 1 233.287 -0.880 20 0 BBADMP CC(C)OCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566865833 326090190 /nfs/dbraw/zinc/09/01/90/326090190.db2.gz FGGKJQHVALPXMQ-GHMZBOCLSA-N 2 1 241.335 -0.345 20 0 BBADMP CC(C)OCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566865833 326090187 /nfs/dbraw/zinc/09/01/87/326090187.db2.gz FGGKJQHVALPXMQ-GHMZBOCLSA-N 2 1 241.335 -0.345 20 0 BBADMP CC(C)OCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566865834 326089894 /nfs/dbraw/zinc/08/98/94/326089894.db2.gz FGGKJQHVALPXMQ-MNOVXSKESA-N 2 1 241.335 -0.345 20 0 BBADMP CC(C)OCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566865834 326089891 /nfs/dbraw/zinc/08/98/91/326089891.db2.gz FGGKJQHVALPXMQ-MNOVXSKESA-N 2 1 241.335 -0.345 20 0 BBADMP CC(C)OCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566865835 326089825 /nfs/dbraw/zinc/08/98/25/326089825.db2.gz FGGKJQHVALPXMQ-QWRGUYRKSA-N 2 1 241.335 -0.345 20 0 BBADMP CC(C)OCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566865835 326089822 /nfs/dbraw/zinc/08/98/22/326089822.db2.gz FGGKJQHVALPXMQ-QWRGUYRKSA-N 2 1 241.335 -0.345 20 0 BBADMP CC(C)OCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566865836 326090105 /nfs/dbraw/zinc/09/01/05/326090105.db2.gz FGGKJQHVALPXMQ-WDEREUQCSA-N 2 1 241.335 -0.345 20 0 BBADMP CC(C)OCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566865836 326090102 /nfs/dbraw/zinc/09/01/02/326090102.db2.gz FGGKJQHVALPXMQ-WDEREUQCSA-N 2 1 241.335 -0.345 20 0 BBADMP CC(C)(O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566866183 326090329 /nfs/dbraw/zinc/09/03/29/326090329.db2.gz JACXFFFTOGXGGV-BDAKNGLRSA-N 2 1 227.308 -0.999 20 0 BBADMP CC(C)(O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566866184 326089974 /nfs/dbraw/zinc/08/99/74/326089974.db2.gz JACXFFFTOGXGGV-DTWKUNHWSA-N 2 1 227.308 -0.999 20 0 BBADMP CC(C)(O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566866185 326090248 /nfs/dbraw/zinc/09/02/48/326090248.db2.gz JACXFFFTOGXGGV-IUCAKERBSA-N 2 1 227.308 -0.999 20 0 BBADMP CC(C)(O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566866186 326086772 /nfs/dbraw/zinc/08/67/72/326086772.db2.gz JACXFFFTOGXGGV-RKDXNWHRSA-N 2 1 227.308 -0.999 20 0 BBADMP O=C([C@H]1CC[NH2+]1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000567109378 326117493 /nfs/dbraw/zinc/11/74/93/326117493.db2.gz CGPOSVPYAIQRKV-NEPJUHHUSA-N 2 1 246.314 -0.084 20 0 BBADMP O=C([C@H]1CC[NH2+]1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000567109379 326117608 /nfs/dbraw/zinc/11/76/08/326117608.db2.gz CGPOSVPYAIQRKV-VXGBXAGGSA-N 2 1 246.314 -0.084 20 0 BBADMP [NH3+][C@@H]1C[C@@H]1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000567165276 326127228 /nfs/dbraw/zinc/12/72/28/326127228.db2.gz XMLZKBPJXJPBGM-VHSXEESVSA-N 2 1 209.293 -0.288 20 0 BBADMP CCC[N@@H+](C)CC(=O)N1CCC(O)(C[NH3+])CC1 ZINC000567165765 326127418 /nfs/dbraw/zinc/12/74/18/326127418.db2.gz ZJEAFULFBRISEZ-UHFFFAOYSA-N 2 1 243.351 -0.360 20 0 BBADMP CC(C)[C@@H]([NH3+])C(=O)NCC[N@H+]1CCCOCC1 ZINC000567232812 326147237 /nfs/dbraw/zinc/14/72/37/326147237.db2.gz KZUIRXPGHFBBLU-LLVKDONJSA-N 2 1 243.351 -0.192 20 0 BBADMP C[C@@]1(C[NH+]2CCC(O)(C[NH3+])CC2)CC[NH2+]C1 ZINC000567352659 326172049 /nfs/dbraw/zinc/17/20/49/326172049.db2.gz JYNKSNAXZYPESA-LLVKDONJSA-N 3 1 227.352 -0.228 20 0 BBADMP C[C@]1(C[NH+]2CCC(O)(C[NH3+])CC2)CC[NH2+]C1 ZINC000567352660 326172068 /nfs/dbraw/zinc/17/20/68/326172068.db2.gz JYNKSNAXZYPESA-NSHDSACASA-N 3 1 227.352 -0.228 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000567355486 326173110 /nfs/dbraw/zinc/17/31/10/326173110.db2.gz AFXOMHAGFPFCAY-LLVKDONJSA-N 2 1 243.351 -0.097 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000567355487 326173229 /nfs/dbraw/zinc/17/32/29/326173229.db2.gz AFXOMHAGFPFCAY-NSHDSACASA-N 2 1 243.351 -0.097 20 0 BBADMP CCOCC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C ZINC000567385625 326181103 /nfs/dbraw/zinc/18/11/03/326181103.db2.gz JEGRCWFZQYZBCV-GHMZBOCLSA-N 2 1 234.340 -0.714 20 0 BBADMP CCOCC[C@@H](O)C[NH2+]C[C@H](O)C[NH+](C)C ZINC000567385626 326181364 /nfs/dbraw/zinc/18/13/64/326181364.db2.gz JEGRCWFZQYZBCV-MNOVXSKESA-N 2 1 234.340 -0.714 20 0 BBADMP CCOCC[C@H](O)C[NH2+]C[C@H](O)C[NH+](C)C ZINC000567385627 326181198 /nfs/dbraw/zinc/18/11/98/326181198.db2.gz JEGRCWFZQYZBCV-QWRGUYRKSA-N 2 1 234.340 -0.714 20 0 BBADMP CCOCC[C@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C ZINC000567385628 326181404 /nfs/dbraw/zinc/18/14/04/326181404.db2.gz JEGRCWFZQYZBCV-WDEREUQCSA-N 2 1 234.340 -0.714 20 0 BBADMP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)CC(F)(F)F ZINC000567471664 326199521 /nfs/dbraw/zinc/19/95/21/326199521.db2.gz WOHDXZZQQZFTHC-HTQZYQBOSA-N 2 1 244.257 -0.188 20 0 BBADMP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000567471665 326199512 /nfs/dbraw/zinc/19/95/12/326199512.db2.gz WOHDXZZQQZFTHC-JGVFFNPUSA-N 2 1 244.257 -0.188 20 0 BBADMP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)CC(F)(F)F ZINC000567471666 326199690 /nfs/dbraw/zinc/19/96/90/326199690.db2.gz WOHDXZZQQZFTHC-SFYZADRCSA-N 2 1 244.257 -0.188 20 0 BBADMP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000567471667 326199632 /nfs/dbraw/zinc/19/96/32/326199632.db2.gz WOHDXZZQQZFTHC-YUMQZZPRSA-N 2 1 244.257 -0.188 20 0 BBADMP Cc1ncc(CN[C@@]2(CO)CCOC2)n1C ZINC000567487100 326202525 /nfs/dbraw/zinc/20/25/25/326202525.db2.gz AKJUSUGYEKPTSC-LLVKDONJSA-N 2 1 225.292 -0.030 20 0 BBADMP Cc1ncc(CN[C@]2(CO)CCOC2)n1C ZINC000567487101 326202660 /nfs/dbraw/zinc/20/26/60/326202660.db2.gz AKJUSUGYEKPTSC-NSHDSACASA-N 2 1 225.292 -0.030 20 0 BBADMP C[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)[C@H](C)CN1C ZINC000567589383 326223898 /nfs/dbraw/zinc/22/38/98/326223898.db2.gz KOLNMVXDHFEMSS-CHWSQXEVSA-N 2 1 240.395 -0.084 20 0 BBADMP C[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)[C@H](C)CN1C ZINC000567589383 326223894 /nfs/dbraw/zinc/22/38/94/326223894.db2.gz KOLNMVXDHFEMSS-CHWSQXEVSA-N 2 1 240.395 -0.084 20 0 BBADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1CCN1CC[NH2+]CC1 ZINC000567589383 326223891 /nfs/dbraw/zinc/22/38/91/326223891.db2.gz KOLNMVXDHFEMSS-CHWSQXEVSA-N 2 1 240.395 -0.084 20 0 BBADMP C[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)[C@@H](C)CN1C ZINC000567589384 326224222 /nfs/dbraw/zinc/22/42/22/326224222.db2.gz KOLNMVXDHFEMSS-OLZOCXBDSA-N 2 1 240.395 -0.084 20 0 BBADMP C[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)[C@@H](C)CN1C ZINC000567589384 326224220 /nfs/dbraw/zinc/22/42/20/326224220.db2.gz KOLNMVXDHFEMSS-OLZOCXBDSA-N 2 1 240.395 -0.084 20 0 BBADMP C[C@@H]1CN(CCN2CC[NH2+]CC2)[C@@H](C)C[N@H+]1C ZINC000567589384 326224218 /nfs/dbraw/zinc/22/42/18/326224218.db2.gz KOLNMVXDHFEMSS-OLZOCXBDSA-N 2 1 240.395 -0.084 20 0 BBADMP C[C@@H]1CN(C)[C@@H](C)C[N@H+]1CCN1CC[NH2+]CC1 ZINC000567589385 326224126 /nfs/dbraw/zinc/22/41/26/326224126.db2.gz KOLNMVXDHFEMSS-QWHCGFSZSA-N 2 1 240.395 -0.084 20 0 BBADMP C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1CCN1CC[NH2+]CC1 ZINC000567589385 326224124 /nfs/dbraw/zinc/22/41/24/326224124.db2.gz KOLNMVXDHFEMSS-QWHCGFSZSA-N 2 1 240.395 -0.084 20 0 BBADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CCN1CC[NH2+]CC1 ZINC000567589385 326224122 /nfs/dbraw/zinc/22/41/22/326224122.db2.gz KOLNMVXDHFEMSS-QWHCGFSZSA-N 2 1 240.395 -0.084 20 0 BBADMP C[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)[C@@H](C)CN1C ZINC000567589386 326224297 /nfs/dbraw/zinc/22/42/97/326224297.db2.gz KOLNMVXDHFEMSS-STQMWFEESA-N 2 1 240.395 -0.084 20 0 BBADMP C[C@H]1C[N@H+](CCN2CC[NH2+]CC2)[C@@H](C)CN1C ZINC000567589386 326224295 /nfs/dbraw/zinc/22/42/95/326224295.db2.gz KOLNMVXDHFEMSS-STQMWFEESA-N 2 1 240.395 -0.084 20 0 BBADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1CCN1CC[NH2+]CC1 ZINC000567589386 326224291 /nfs/dbraw/zinc/22/42/91/326224291.db2.gz KOLNMVXDHFEMSS-STQMWFEESA-N 2 1 240.395 -0.084 20 0 BBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000567612655 326228939 /nfs/dbraw/zinc/22/89/39/326228939.db2.gz ZVWDVXXSMSEOTN-JTQLQIEISA-N 2 1 229.324 -0.567 20 0 BBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000567612656 326229107 /nfs/dbraw/zinc/22/91/07/326229107.db2.gz ZVWDVXXSMSEOTN-SNVBAGLBSA-N 2 1 229.324 -0.567 20 0 BBADMP CCOCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000567627834 326232242 /nfs/dbraw/zinc/23/22/42/326232242.db2.gz BHPWKIUVPDDUDS-NXEZZACHSA-N 2 1 227.308 -0.733 20 0 BBADMP CCOCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000567627834 326232240 /nfs/dbraw/zinc/23/22/40/326232240.db2.gz BHPWKIUVPDDUDS-NXEZZACHSA-N 2 1 227.308 -0.733 20 0 BBADMP CCOCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000567627835 326232149 /nfs/dbraw/zinc/23/21/49/326232149.db2.gz BHPWKIUVPDDUDS-UWVGGRQHSA-N 2 1 227.308 -0.733 20 0 BBADMP CCOCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000567627835 326232147 /nfs/dbraw/zinc/23/21/47/326232147.db2.gz BHPWKIUVPDDUDS-UWVGGRQHSA-N 2 1 227.308 -0.733 20 0 BBADMP CCOCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000567627836 326232222 /nfs/dbraw/zinc/23/22/22/326232222.db2.gz BHPWKIUVPDDUDS-VHSXEESVSA-N 2 1 227.308 -0.733 20 0 BBADMP CCOCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000567627836 326232220 /nfs/dbraw/zinc/23/22/20/326232220.db2.gz BHPWKIUVPDDUDS-VHSXEESVSA-N 2 1 227.308 -0.733 20 0 BBADMP CCOCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000567627837 326232277 /nfs/dbraw/zinc/23/22/77/326232277.db2.gz BHPWKIUVPDDUDS-ZJUUUORDSA-N 2 1 227.308 -0.733 20 0 BBADMP CCOCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000567627837 326232274 /nfs/dbraw/zinc/23/22/74/326232274.db2.gz BHPWKIUVPDDUDS-ZJUUUORDSA-N 2 1 227.308 -0.733 20 0 BBADMP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000567671764 326242745 /nfs/dbraw/zinc/24/27/45/326242745.db2.gz GFALVOMMPDNYMI-RRKCRQDMSA-N 2 1 219.235 -0.601 20 0 BBADMP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000567671765 326242843 /nfs/dbraw/zinc/24/28/43/326242843.db2.gz GFALVOMMPDNYMI-XVMARJQXSA-N 2 1 219.235 -0.601 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000567731882 326252702 /nfs/dbraw/zinc/25/27/02/326252702.db2.gz BZLQFJGGWLYFBE-JTQLQIEISA-N 2 1 229.324 -0.487 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000567731883 326252808 /nfs/dbraw/zinc/25/28/08/326252808.db2.gz BZLQFJGGWLYFBE-SNVBAGLBSA-N 2 1 229.324 -0.487 20 0 BBADMP C[C@@H]1C[N@@H+](CCN2CC[C@@H]([NH3+])C2)CCO1 ZINC000567735286 326253142 /nfs/dbraw/zinc/25/31/42/326253142.db2.gz CKIUIGWLVFPCDN-GHMZBOCLSA-N 2 1 213.325 -0.260 20 0 BBADMP C[C@@H]1C[N@H+](CCN2CC[C@@H]([NH3+])C2)CCO1 ZINC000567735286 326253139 /nfs/dbraw/zinc/25/31/39/326253139.db2.gz CKIUIGWLVFPCDN-GHMZBOCLSA-N 2 1 213.325 -0.260 20 0 BBADMP C[C@H]1C[N@@H+](CCN2CC[C@@H]([NH3+])C2)CCO1 ZINC000567735287 326253230 /nfs/dbraw/zinc/25/32/30/326253230.db2.gz CKIUIGWLVFPCDN-WDEREUQCSA-N 2 1 213.325 -0.260 20 0 BBADMP C[C@H]1C[N@H+](CCN2CC[C@@H]([NH3+])C2)CCO1 ZINC000567735287 326253229 /nfs/dbraw/zinc/25/32/29/326253229.db2.gz CKIUIGWLVFPCDN-WDEREUQCSA-N 2 1 213.325 -0.260 20 0 BBADMP COCC[N@@H+](C)CCCNC(=O)C[NH2+]C1CC1 ZINC000567779365 326257793 /nfs/dbraw/zinc/25/77/93/326257793.db2.gz MSFDWKLLMBFNJK-UHFFFAOYSA-N 2 1 243.351 -0.177 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC(=O)CCCC[NH3+])C1 ZINC000567801207 326259479 /nfs/dbraw/zinc/25/94/79/326259479.db2.gz HLOLDRXAXFCJQE-LLVKDONJSA-N 2 1 243.351 -0.048 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)CCCC[NH3+])C1 ZINC000567801208 326259464 /nfs/dbraw/zinc/25/94/64/326259464.db2.gz HLOLDRXAXFCJQE-NSHDSACASA-N 2 1 243.351 -0.048 20 0 BBADMP [NH3+]Cc1nnnn1CC[NH+]1CCCCC1 ZINC000567808707 326260686 /nfs/dbraw/zinc/26/06/86/326260686.db2.gz ZWOANLYPMUHDGI-UHFFFAOYSA-N 2 1 210.285 -0.382 20 0 BBADMP C(CN[C@@H]1CCC[NH2+]C1)CN1CC[NH2+]CC1 ZINC000567870826 326273619 /nfs/dbraw/zinc/27/36/19/326273619.db2.gz PQEVGJLBCNBACZ-GFCCVEGCSA-N 2 1 226.368 -0.377 20 0 BBADMP C(CN[C@H]1CCC[NH2+]C1)CN1CC[NH2+]CC1 ZINC000567870827 326273918 /nfs/dbraw/zinc/27/39/18/326273918.db2.gz PQEVGJLBCNBACZ-LBPRGKRZSA-N 2 1 226.368 -0.377 20 0 BBADMP CN1CC[NH2+]C[C@@H]1C[NH2+]CC1CC[NH2+]CC1 ZINC000567870922 326274070 /nfs/dbraw/zinc/27/40/70/326274070.db2.gz YNSOERRWDAIQGL-GFCCVEGCSA-N 3 1 226.368 -0.521 20 0 BBADMP CN1CC[NH2+]C[C@H]1C[NH2+]CC1CC[NH2+]CC1 ZINC000567870923 326274170 /nfs/dbraw/zinc/27/41/70/326274170.db2.gz YNSOERRWDAIQGL-LBPRGKRZSA-N 3 1 226.368 -0.521 20 0 BBADMP CNS(=O)(=O)CCC[N@@H+](C)C1CC([NH3+])C1 ZINC000567894584 326278489 /nfs/dbraw/zinc/27/84/89/326278489.db2.gz GGFQCVSJFFOORI-UHFFFAOYSA-N 2 1 235.353 -0.653 20 0 BBADMP CNS(=O)(=O)CCC[N@H+](C)C1CC([NH3+])C1 ZINC000567894584 326278488 /nfs/dbraw/zinc/27/84/88/326278488.db2.gz GGFQCVSJFFOORI-UHFFFAOYSA-N 2 1 235.353 -0.653 20 0 BBADMP Cc1[nH+]ccn1CCCN(C)C(=O)C[NH3+] ZINC000567911444 326281989 /nfs/dbraw/zinc/28/19/89/326281989.db2.gz WNKIFTMLRNKAMM-UHFFFAOYSA-N 2 1 210.281 -0.001 20 0 BBADMP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1CSC[NH2+]1 ZINC000567912206 326282294 /nfs/dbraw/zinc/28/22/94/326282294.db2.gz JZGGDMPNVPKRMB-ACZMJKKPSA-N 2 1 203.311 -0.499 20 0 BBADMP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1CSC[NH2+]1 ZINC000567912210 326282398 /nfs/dbraw/zinc/28/23/98/326282398.db2.gz JZGGDMPNVPKRMB-LYFYHCNISA-N 2 1 203.311 -0.499 20 0 BBADMP C[C@@H](NC(=O)[C@H]1CSC[NH2+]1)[C@H](C)[NH3+] ZINC000567912211 326282411 /nfs/dbraw/zinc/28/24/11/326282411.db2.gz JZGGDMPNVPKRMB-RRKCRQDMSA-N 2 1 203.311 -0.499 20 0 BBADMP C[C@@H](NC(=O)[C@@H]1CSC[NH2+]1)[C@H](C)[NH3+] ZINC000567912212 326282370 /nfs/dbraw/zinc/28/23/70/326282370.db2.gz JZGGDMPNVPKRMB-XVMARJQXSA-N 2 1 203.311 -0.499 20 0 BBADMP C[C@H](CCC[NH3+])NC(=O)[C@H]1CSC[NH2+]1 ZINC000567912943 326282500 /nfs/dbraw/zinc/28/25/00/326282500.db2.gz XZGMNBSQBNSBSO-HTQZYQBOSA-N 2 1 217.338 -0.108 20 0 BBADMP C[C@@H](CCC[NH3+])NC(=O)[C@H]1CSC[NH2+]1 ZINC000567912953 326282363 /nfs/dbraw/zinc/28/23/63/326282363.db2.gz XZGMNBSQBNSBSO-JGVFFNPUSA-N 2 1 217.338 -0.108 20 0 BBADMP C[C@H](CCC[NH3+])NC(=O)[C@@H]1CSC[NH2+]1 ZINC000567912954 326279655 /nfs/dbraw/zinc/27/96/55/326279655.db2.gz XZGMNBSQBNSBSO-SFYZADRCSA-N 2 1 217.338 -0.108 20 0 BBADMP C[C@@H](CCC[NH3+])NC(=O)[C@@H]1CSC[NH2+]1 ZINC000567912955 326279898 /nfs/dbraw/zinc/27/98/98/326279898.db2.gz XZGMNBSQBNSBSO-YUMQZZPRSA-N 2 1 217.338 -0.108 20 0 BBADMP CCN1CC[NH+](CCC(=O)N(C)CC[NH3+])CC1 ZINC000567982131 326290868 /nfs/dbraw/zinc/29/08/68/326290868.db2.gz NWVBHWFJMYVYFL-UHFFFAOYSA-N 2 1 242.367 -0.569 20 0 BBADMP C[C@@]1(C[NH2+]C[C@H]2CNCCO2)CC[NH2+]C1 ZINC000568268755 326337661 /nfs/dbraw/zinc/33/76/61/326337661.db2.gz IKZYQTGXUROHAW-GHMZBOCLSA-N 3 1 213.325 -0.436 20 0 BBADMP C[C@]1(C[NH2+]C[C@H]2CNCCO2)CC[NH2+]C1 ZINC000568268756 326337562 /nfs/dbraw/zinc/33/75/62/326337562.db2.gz IKZYQTGXUROHAW-MNOVXSKESA-N 3 1 213.325 -0.436 20 0 BBADMP C[C@]1(C[NH2+]C[C@@H]2CNCCO2)CC[NH2+]C1 ZINC000568268757 326337670 /nfs/dbraw/zinc/33/76/70/326337670.db2.gz IKZYQTGXUROHAW-QWRGUYRKSA-N 3 1 213.325 -0.436 20 0 BBADMP C[C@@]1(C[NH2+]C[C@@H]2CNCCO2)CC[NH2+]C1 ZINC000568268758 326337656 /nfs/dbraw/zinc/33/76/56/326337656.db2.gz IKZYQTGXUROHAW-WDEREUQCSA-N 3 1 213.325 -0.436 20 0 BBADMP C[NH2+]CC(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000568271079 326338465 /nfs/dbraw/zinc/33/84/65/326338465.db2.gz WGOQGJVKIAMWAD-LLVKDONJSA-N 2 1 234.303 -0.226 20 0 BBADMP C[NH2+]CC(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000568271081 326338410 /nfs/dbraw/zinc/33/84/10/326338410.db2.gz WGOQGJVKIAMWAD-NSHDSACASA-N 2 1 234.303 -0.226 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000568389905 326353235 /nfs/dbraw/zinc/35/32/35/326353235.db2.gz GKRLPEKSPZAZET-SSDOTTSWSA-N 2 1 237.250 -0.925 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000568389906 326353098 /nfs/dbraw/zinc/35/30/98/326353098.db2.gz GKRLPEKSPZAZET-ZETCQYMHSA-N 2 1 237.250 -0.925 20 0 BBADMP C[NH2+]CCCN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000568394985 326353891 /nfs/dbraw/zinc/35/38/91/326353891.db2.gz IVCGKXDIWKGYBU-LLVKDONJSA-N 2 1 242.367 -0.617 20 0 BBADMP C[NH2+]CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000568394985 326353890 /nfs/dbraw/zinc/35/38/90/326353890.db2.gz IVCGKXDIWKGYBU-LLVKDONJSA-N 3 1 242.367 -0.617 20 0 BBADMP C[NH2+]CCCN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000568394986 326353966 /nfs/dbraw/zinc/35/39/66/326353966.db2.gz IVCGKXDIWKGYBU-NSHDSACASA-N 2 1 242.367 -0.617 20 0 BBADMP C[NH2+]CCC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000568394986 326353965 /nfs/dbraw/zinc/35/39/65/326353965.db2.gz IVCGKXDIWKGYBU-NSHDSACASA-N 3 1 242.367 -0.617 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CN(C)C1CC(O)C1 ZINC000568407843 326354954 /nfs/dbraw/zinc/35/49/54/326354954.db2.gz VVOQQKHQNIOQOU-HTAVTVPLSA-N 2 1 246.351 -0.619 20 0 BBADMP COCC[N@H+](C)C[C@@H](O)CN(C)C1CC(O)C1 ZINC000568407843 326354951 /nfs/dbraw/zinc/35/49/51/326354951.db2.gz VVOQQKHQNIOQOU-HTAVTVPLSA-N 2 1 246.351 -0.619 20 0 BBADMP CCS(=O)(=O)NCCC[NH2+][C@H]1CCC[NH2+]C1 ZINC000568510727 326361266 /nfs/dbraw/zinc/36/12/66/326361266.db2.gz DHINYBHUWCLRLI-JTQLQIEISA-N 2 1 249.380 -0.343 20 0 BBADMP CCS(=O)(=O)NCCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC000568510728 326361539 /nfs/dbraw/zinc/36/15/39/326361539.db2.gz DHINYBHUWCLRLI-SNVBAGLBSA-N 2 1 249.380 -0.343 20 0 BBADMP C[C@@H]1CN(CCC[NH+]2CCOCC2)C[C@H]1[NH3+] ZINC000568634291 326369839 /nfs/dbraw/zinc/36/98/39/326369839.db2.gz PJCAEXAZGDFWFX-VXGBXAGGSA-N 2 1 227.352 -0.012 20 0 BBADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000568765574 326376425 /nfs/dbraw/zinc/37/64/25/326376425.db2.gz NFICAMDWBIJSDW-DBIOUOCHSA-N 2 1 223.320 -0.066 20 0 BBADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000568765575 326376544 /nfs/dbraw/zinc/37/65/44/326376544.db2.gz NFICAMDWBIJSDW-GWOFURMSSA-N 2 1 223.320 -0.066 20 0 BBADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC000568765576 326376556 /nfs/dbraw/zinc/37/65/56/326376556.db2.gz NFICAMDWBIJSDW-LMLFDSFASA-N 2 1 223.320 -0.066 20 0 BBADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC000568765577 326376361 /nfs/dbraw/zinc/37/63/61/326376361.db2.gz NFICAMDWBIJSDW-YTWAJWBKSA-N 2 1 223.320 -0.066 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000568772302 326377025 /nfs/dbraw/zinc/37/70/25/326377025.db2.gz RYJJVLKGVXHKHQ-FRRDWIJNSA-N 3 1 241.379 -0.112 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000568772308 326377046 /nfs/dbraw/zinc/37/70/46/326377046.db2.gz RYJJVLKGVXHKHQ-XQQFMLRXSA-N 3 1 241.379 -0.112 20 0 BBADMP CN(CCC[NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000568902507 326382428 /nfs/dbraw/zinc/38/24/28/326382428.db2.gz NKUBXRIAKJXPKM-UHFFFAOYSA-N 2 1 224.255 -0.429 20 0 BBADMP COCC[N@@H+](C)CCC[NH2+]C[C@H](C)O ZINC000568991447 326385387 /nfs/dbraw/zinc/38/53/87/326385387.db2.gz NRFRNXWEOQDOFQ-JTQLQIEISA-N 2 1 204.314 -0.075 20 0 BBADMP C[C@H]([NH3+])CCNC(=O)CC(F)(F)C[NH3+] ZINC000569113525 326390992 /nfs/dbraw/zinc/39/09/92/326390992.db2.gz PXBUNOJZUNRGKY-LURJTMIESA-N 2 1 209.240 -0.176 20 0 BBADMP Cn1c[nH+]cc1CCC[N@H+]1C[C@H](O)C[C@H]1CO ZINC000569257211 326398211 /nfs/dbraw/zinc/39/82/11/326398211.db2.gz YHVUNUZNDRTCDN-NWDGAFQWSA-N 2 1 239.319 -0.220 20 0 BBADMP Cn1c[nH+]cc1CCC[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000569257211 326398209 /nfs/dbraw/zinc/39/82/09/326398209.db2.gz YHVUNUZNDRTCDN-NWDGAFQWSA-N 2 1 239.319 -0.220 20 0 BBADMP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000569257212 326398226 /nfs/dbraw/zinc/39/82/26/326398226.db2.gz YHVUNUZNDRTCDN-RYUDHWBXSA-N 2 1 239.319 -0.220 20 0 BBADMP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000569257212 326398225 /nfs/dbraw/zinc/39/82/25/326398225.db2.gz YHVUNUZNDRTCDN-RYUDHWBXSA-N 2 1 239.319 -0.220 20 0 BBADMP [NH3+]CCC[N@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000569340572 398105865 /nfs/dbraw/zinc/10/58/65/398105865.db2.gz QXNRFIWBIYARLE-LLVKDONJSA-N 2 1 240.351 -0.769 20 0 BBADMP [NH3+]CCC[N@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000569340573 398105914 /nfs/dbraw/zinc/10/59/14/398105914.db2.gz QXNRFIWBIYARLE-NSHDSACASA-N 2 1 240.351 -0.769 20 0 BBADMP C[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000569378218 322965030 /nfs/dbraw/zinc/96/50/30/322965030.db2.gz KOQBKCGICHTQKJ-BQBZGAKWSA-N 2 1 221.251 -0.340 20 0 BBADMP C[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000569378219 322965042 /nfs/dbraw/zinc/96/50/42/322965042.db2.gz KOQBKCGICHTQKJ-NKWVEPMBSA-N 2 1 221.251 -0.340 20 0 BBADMP CC[NH2+]CCNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000569577376 322971145 /nfs/dbraw/zinc/97/11/45/322971145.db2.gz NBKAOPARUKSLQH-LLVKDONJSA-N 2 1 242.367 -0.652 20 0 BBADMP CC[NH2+]CCNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000569577377 322971189 /nfs/dbraw/zinc/97/11/89/322971189.db2.gz NBKAOPARUKSLQH-NSHDSACASA-N 2 1 242.367 -0.652 20 0 BBADMP Cn1cc[nH+]c1[C@@H]1CCN(Cc2nnnn2C)C1 ZINC000569589095 384289389 /nfs/dbraw/zinc/28/93/89/384289389.db2.gz WVLRVPFFTHFNTL-SECBINFHSA-N 2 1 247.306 -0.067 20 0 BBADMP Cn1cc[nH+]c1[C@H]1CCN(Cc2nnnn2C)C1 ZINC000569589098 384289725 /nfs/dbraw/zinc/28/97/25/384289725.db2.gz WVLRVPFFTHFNTL-VIFPVBQESA-N 2 1 247.306 -0.067 20 0 BBADMP C[C@@H](C(=O)NCC(C)(C)[NH3+])N1CC[NH+](C)CC1 ZINC000569605762 384534236 /nfs/dbraw/zinc/53/42/36/384534236.db2.gz RVEWCIZQOGDSIO-JTQLQIEISA-N 2 1 242.367 -0.524 20 0 BBADMP C[C@H](C(=O)NCC(C)(C)[NH3+])N1CC[NH+](C)CC1 ZINC000569605763 384533158 /nfs/dbraw/zinc/53/31/58/384533158.db2.gz RVEWCIZQOGDSIO-SNVBAGLBSA-N 2 1 242.367 -0.524 20 0 BBADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1C=C[C@H](CO)C1)C1CC1 ZINC000569693489 323037198 /nfs/dbraw/zinc/03/71/98/323037198.db2.gz OLMXCUVDVVAMKL-DMDPSCGWSA-N 2 1 240.347 -0.032 20 0 BBADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1C=C[C@H](CO)C1)C1CC1 ZINC000569693489 323037197 /nfs/dbraw/zinc/03/71/97/323037197.db2.gz OLMXCUVDVVAMKL-DMDPSCGWSA-N 2 1 240.347 -0.032 20 0 BBADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1C=C[C@H](CO)C1)C1CC1 ZINC000569693490 323037232 /nfs/dbraw/zinc/03/72/32/323037232.db2.gz OLMXCUVDVVAMKL-LOWVWBTDSA-N 2 1 240.347 -0.032 20 0 BBADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1C=C[C@H](CO)C1)C1CC1 ZINC000569693490 323037231 /nfs/dbraw/zinc/03/72/31/323037231.db2.gz OLMXCUVDVVAMKL-LOWVWBTDSA-N 2 1 240.347 -0.032 20 0 BBADMP CO[C@@H](C[NH3+])CC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000569721594 323038709 /nfs/dbraw/zinc/03/87/09/323038709.db2.gz ZJTKMZASSYCBQU-LLVKDONJSA-N 2 1 243.351 -0.097 20 0 BBADMP CO[C@H](C[NH3+])CC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000569721595 323038823 /nfs/dbraw/zinc/03/88/23/323038823.db2.gz ZJTKMZASSYCBQU-NSHDSACASA-N 2 1 243.351 -0.097 20 0 BBADMP CC(C)([NH3+])C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000569722676 323038752 /nfs/dbraw/zinc/03/87/52/323038752.db2.gz APFXFQPLSFUQFI-JTQLQIEISA-N 3 1 242.367 -0.489 20 0 BBADMP CC(C)([NH3+])C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000569722676 323038751 /nfs/dbraw/zinc/03/87/51/323038751.db2.gz APFXFQPLSFUQFI-JTQLQIEISA-N 3 1 242.367 -0.489 20 0 BBADMP CC(C)([NH3+])C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000569722677 323038767 /nfs/dbraw/zinc/03/87/67/323038767.db2.gz APFXFQPLSFUQFI-SNVBAGLBSA-N 3 1 242.367 -0.489 20 0 BBADMP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000569722677 323038766 /nfs/dbraw/zinc/03/87/66/323038766.db2.gz APFXFQPLSFUQFI-SNVBAGLBSA-N 3 1 242.367 -0.489 20 0 BBADMP C[C@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000569803946 323041091 /nfs/dbraw/zinc/04/10/91/323041091.db2.gz FUXUTRSCYSQAGY-JTQLQIEISA-N 2 1 229.324 -0.879 20 0 BBADMP C[NH2+][C@@H](C(=O)NCC(C)(C)[NH3+])c1cnn(C)c1 ZINC000569808949 323041403 /nfs/dbraw/zinc/04/14/03/323041403.db2.gz YBYDMIKIGQWICM-SECBINFHSA-N 2 1 239.323 -0.466 20 0 BBADMP C[NH2+][C@H](C(=O)NCC(C)(C)[NH3+])c1cnn(C)c1 ZINC000569808950 323041428 /nfs/dbraw/zinc/04/14/28/323041428.db2.gz YBYDMIKIGQWICM-VIFPVBQESA-N 2 1 239.323 -0.466 20 0 BBADMP [NH3+]CC(F)(F)CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000569860017 323043326 /nfs/dbraw/zinc/04/33/26/323043326.db2.gz KKXSFDKBAUTSDY-SFYZADRCSA-N 2 1 233.262 -0.209 20 0 BBADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CC(=O)NC1=O ZINC000569864112 323043034 /nfs/dbraw/zinc/04/30/34/323043034.db2.gz SXTQFHZDJBXILK-JTQLQIEISA-N 2 1 239.319 -0.325 20 0 BBADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CC(=O)NC1=O ZINC000569864114 323042944 /nfs/dbraw/zinc/04/29/44/323042944.db2.gz SXTQFHZDJBXILK-SNVBAGLBSA-N 2 1 239.319 -0.325 20 0 BBADMP C[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000569865859 323043120 /nfs/dbraw/zinc/04/31/20/323043120.db2.gz UGVXAANNBOTFJB-WCBMZHEXSA-N 2 1 217.288 -0.246 20 0 BBADMP C[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000569865860 323043105 /nfs/dbraw/zinc/04/31/05/323043105.db2.gz UGVXAANNBOTFJB-WPRPVWTQSA-N 2 1 217.288 -0.246 20 0 BBADMP C[C@@H]([NH3+])CCC(=O)NCC[N@H+]1CCCOCC1 ZINC000570041024 323048032 /nfs/dbraw/zinc/04/80/32/323048032.db2.gz FXUBJRRSXZBZBF-LLVKDONJSA-N 2 1 243.351 -0.048 20 0 BBADMP C[C@H]([NH3+])CCC(=O)NCC[N@H+]1CCCOCC1 ZINC000570041025 323048019 /nfs/dbraw/zinc/04/80/19/323048019.db2.gz FXUBJRRSXZBZBF-NSHDSACASA-N 2 1 243.351 -0.048 20 0 BBADMP C[N@H+]1CC[C@H]2CCN(C(=O)[C@H]3CC[NH2+]3)[C@H]2C1 ZINC000570043348 323048340 /nfs/dbraw/zinc/04/83/40/323048340.db2.gz VMMGUXQTEVHYEW-AXFHLTTASA-N 2 1 223.320 -0.099 20 0 BBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH2+]3)[C@@H]2C1 ZINC000570043349 323048243 /nfs/dbraw/zinc/04/82/43/323048243.db2.gz VMMGUXQTEVHYEW-GMTAPVOTSA-N 2 1 223.320 -0.099 20 0 BBADMP C[N@H+]1CC[C@H]2CCN(C(=O)[C@H]3CC[NH2+]3)[C@@H]2C1 ZINC000570043350 323048281 /nfs/dbraw/zinc/04/82/81/323048281.db2.gz VMMGUXQTEVHYEW-HBNTYKKESA-N 2 1 223.320 -0.099 20 0 BBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH2+]3)[C@H]2C1 ZINC000570043351 323048329 /nfs/dbraw/zinc/04/83/29/323048329.db2.gz VMMGUXQTEVHYEW-MXWKQRLJSA-N 2 1 223.320 -0.099 20 0 BBADMP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1CSC[NH2+]1 ZINC000570045957 323048397 /nfs/dbraw/zinc/04/83/97/323048397.db2.gz JAMMPAGSNFDOCK-DTWKUNHWSA-N 2 1 245.348 -0.856 20 0 BBADMP O=C(NC[C@H]1C[NH2+]CCCO1)[C@H]1CSC[NH2+]1 ZINC000570045963 323048393 /nfs/dbraw/zinc/04/83/93/323048393.db2.gz JAMMPAGSNFDOCK-RKDXNWHRSA-N 2 1 245.348 -0.856 20 0 BBADMP C[NH2+]C[C@@H](C)CNC(=O)CC(F)(F)C[NH3+] ZINC000570054681 323048550 /nfs/dbraw/zinc/04/85/50/323048550.db2.gz WPMGECUVUSUGTA-SSDOTTSWSA-N 2 1 223.267 -0.058 20 0 BBADMP C[NH2+]C[C@H](C)CNC(=O)CC(F)(F)C[NH3+] ZINC000570054682 323048621 /nfs/dbraw/zinc/04/86/21/323048621.db2.gz WPMGECUVUSUGTA-ZETCQYMHSA-N 2 1 223.267 -0.058 20 0 BBADMP C[NH2+][C@@H](C(=O)NC[C@H](C)C[NH3+])c1cnn(C)c1 ZINC000570212451 323052947 /nfs/dbraw/zinc/05/29/47/323052947.db2.gz SHLKCZUBUPNJIE-PSASIEDQSA-N 2 1 239.323 -0.608 20 0 BBADMP C[NH2+][C@H](C(=O)NC[C@H](C)C[NH3+])c1cnn(C)c1 ZINC000570212452 323052997 /nfs/dbraw/zinc/05/29/97/323052997.db2.gz SHLKCZUBUPNJIE-SCZZXKLOSA-N 2 1 239.323 -0.608 20 0 BBADMP C[NH2+][C@@H](C(=O)NC[C@@H](C)C[NH3+])c1cnn(C)c1 ZINC000570212453 323053015 /nfs/dbraw/zinc/05/30/15/323053015.db2.gz SHLKCZUBUPNJIE-WCBMZHEXSA-N 2 1 239.323 -0.608 20 0 BBADMP C[NH2+][C@H](C(=O)NC[C@@H](C)C[NH3+])c1cnn(C)c1 ZINC000570212454 323052909 /nfs/dbraw/zinc/05/29/09/323052909.db2.gz SHLKCZUBUPNJIE-WPRPVWTQSA-N 2 1 239.323 -0.608 20 0 BBADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCN1CC[NH2+]CC1 ZINC000570280887 323054921 /nfs/dbraw/zinc/05/49/21/323054921.db2.gz NFVKHIFPCVPKPM-GFCCVEGCSA-N 3 1 228.384 -0.145 20 0 BBADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCN1CC[NH2+]CC1 ZINC000570280889 323054985 /nfs/dbraw/zinc/05/49/85/323054985.db2.gz NFVKHIFPCVPKPM-LBPRGKRZSA-N 3 1 228.384 -0.145 20 0 BBADMP C[C@H]1C(=O)NCCC[N@@H+]1CCOCC[NH3+] ZINC000570333132 323056137 /nfs/dbraw/zinc/05/61/37/323056137.db2.gz QTBLSKJMYLFHCZ-VIFPVBQESA-N 2 1 215.297 -0.828 20 0 BBADMP C[NH2+]CC1CCN(C[C@](C)(O)C[NH2+]C)CC1 ZINC000570338423 323056869 /nfs/dbraw/zinc/05/68/69/323056869.db2.gz ZZENYMTZFWEBBB-GFCCVEGCSA-N 2 1 229.368 -0.112 20 0 BBADMP C[NH2+]CC1CCN(C[C@@](C)(O)C[NH2+]C)CC1 ZINC000570338424 323056928 /nfs/dbraw/zinc/05/69/28/323056928.db2.gz ZZENYMTZFWEBBB-LBPRGKRZSA-N 2 1 229.368 -0.112 20 0 BBADMP C[C@@H](CN1CCOCC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000570451081 323059894 /nfs/dbraw/zinc/05/98/94/323059894.db2.gz BQCYTWCDIPVVGC-RWMBFGLXSA-N 2 1 239.363 -0.142 20 0 BBADMP C[C@H](CN1CCOCC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000570451082 323059901 /nfs/dbraw/zinc/05/99/01/323059901.db2.gz BQCYTWCDIPVVGC-UPJWGTAASA-N 2 1 239.363 -0.142 20 0 BBADMP CCCN(CC(=O)NC)C[C@H](O)C[N@@H+](C)CC ZINC000570469394 323060589 /nfs/dbraw/zinc/06/05/89/323060589.db2.gz APWLEJZUZMWHSY-LLVKDONJSA-N 2 1 245.367 -0.243 20 0 BBADMP CCCN(CC(=O)NC)C[C@@H](O)C[N@@H+](C)CC ZINC000570469395 323060635 /nfs/dbraw/zinc/06/06/35/323060635.db2.gz APWLEJZUZMWHSY-NSHDSACASA-N 2 1 245.367 -0.243 20 0 BBADMP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC[N@H+]1CCCOCC1 ZINC000570513230 323061946 /nfs/dbraw/zinc/06/19/46/323061946.db2.gz JQWNJEZCHUPIFB-GHMZBOCLSA-N 2 1 243.351 -0.192 20 0 BBADMP C[C@@H](C(=O)NCC[N@H+]1CCCOCC1)[C@H](C)[NH3+] ZINC000570513231 323061905 /nfs/dbraw/zinc/06/19/05/323061905.db2.gz JQWNJEZCHUPIFB-MNOVXSKESA-N 2 1 243.351 -0.192 20 0 BBADMP C[C@H]([NH3+])[C@H](C)C(=O)NCC[N@H+]1CCCOCC1 ZINC000570513232 323061920 /nfs/dbraw/zinc/06/19/20/323061920.db2.gz JQWNJEZCHUPIFB-QWRGUYRKSA-N 2 1 243.351 -0.192 20 0 BBADMP C[C@@H]([NH3+])[C@H](C)C(=O)NCC[N@H+]1CCCOCC1 ZINC000570513233 323061955 /nfs/dbraw/zinc/06/19/55/323061955.db2.gz JQWNJEZCHUPIFB-WDEREUQCSA-N 2 1 243.351 -0.192 20 0 BBADMP CCC[C@@H]1CN(C(=O)C[NH3+])CC[N@H+]1CCOC ZINC000570519856 323062275 /nfs/dbraw/zinc/06/22/75/323062275.db2.gz NKHODEPZDJWLTM-LLVKDONJSA-N 2 1 243.351 -0.096 20 0 BBADMP CCC[C@H]1CN(C(=O)C[NH3+])CC[N@H+]1CCOC ZINC000570519857 323062269 /nfs/dbraw/zinc/06/22/69/323062269.db2.gz NKHODEPZDJWLTM-NSHDSACASA-N 2 1 243.351 -0.096 20 0 BBADMP [NH3+]CC(F)(F)CC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000570524556 323062085 /nfs/dbraw/zinc/06/20/85/323062085.db2.gz NKVFIAPDKWCOJE-JGVFFNPUSA-N 2 1 249.261 -0.830 20 0 BBADMP COCC[NH2+]CCNC(=O)CC(F)(F)C[NH3+] ZINC000570641637 323065639 /nfs/dbraw/zinc/06/56/39/323065639.db2.gz VUECBMJYBPTBPZ-UHFFFAOYSA-N 2 1 239.266 -0.677 20 0 BBADMP Cc1[nH+]ccn1CC[NH2+]CCC(=O)NC(N)=O ZINC000570710259 323068204 /nfs/dbraw/zinc/06/82/04/323068204.db2.gz QFLBKGCLTHSYSV-UHFFFAOYSA-N 2 1 239.279 -0.634 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCC(N)=O ZINC000570864490 323073073 /nfs/dbraw/zinc/07/30/73/323073073.db2.gz TYIGINHYRBPZLA-SECBINFHSA-N 2 1 217.313 -0.894 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCC(N)=O ZINC000570864490 323073072 /nfs/dbraw/zinc/07/30/72/323073072.db2.gz TYIGINHYRBPZLA-SECBINFHSA-N 2 1 217.313 -0.894 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCC(N)=O ZINC000570864490 323073071 /nfs/dbraw/zinc/07/30/71/323073071.db2.gz TYIGINHYRBPZLA-SECBINFHSA-N 2 1 217.313 -0.894 20 0 BBADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCC(N)=O ZINC000570864490 323073070 /nfs/dbraw/zinc/07/30/70/323073070.db2.gz TYIGINHYRBPZLA-SECBINFHSA-N 2 1 217.313 -0.894 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCC(N)=O ZINC000570864491 323073089 /nfs/dbraw/zinc/07/30/89/323073089.db2.gz TYIGINHYRBPZLA-VIFPVBQESA-N 2 1 217.313 -0.894 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CCC(N)=O ZINC000570864491 323073088 /nfs/dbraw/zinc/07/30/88/323073088.db2.gz TYIGINHYRBPZLA-VIFPVBQESA-N 2 1 217.313 -0.894 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCC(N)=O ZINC000570864491 323073087 /nfs/dbraw/zinc/07/30/87/323073087.db2.gz TYIGINHYRBPZLA-VIFPVBQESA-N 2 1 217.313 -0.894 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CCC(N)=O ZINC000570864491 323073086 /nfs/dbraw/zinc/07/30/86/323073086.db2.gz TYIGINHYRBPZLA-VIFPVBQESA-N 2 1 217.313 -0.894 20 0 BBADMP C[N@H+]1CC[C@H](CNC(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000570930120 323074835 /nfs/dbraw/zinc/07/48/35/323074835.db2.gz PWKZJWVTVFRJNI-FOGDFJRCSA-N 2 1 223.320 -0.194 20 0 BBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000570930121 323074920 /nfs/dbraw/zinc/07/49/20/323074920.db2.gz PWKZJWVTVFRJNI-UMNHJUIQSA-N 2 1 223.320 -0.194 20 0 BBADMP OCCC[N@H+]1CCC[C@@H]1CNC1=[NH+]CCCN1 ZINC000571106117 323135690 /nfs/dbraw/zinc/13/56/90/323135690.db2.gz XPICJXJLZWLUDS-LLVKDONJSA-N 2 1 240.351 -0.228 20 0 BBADMP OCCC[N@H+]1CCC[C@H]1CNC1=[NH+]CCCN1 ZINC000571106118 323135572 /nfs/dbraw/zinc/13/55/72/323135572.db2.gz XPICJXJLZWLUDS-NSHDSACASA-N 2 1 240.351 -0.228 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCCC(=O)NC ZINC000571222313 323138406 /nfs/dbraw/zinc/13/84/06/323138406.db2.gz JPMGPWRNJQJRJO-LLVKDONJSA-N 2 1 245.367 -0.243 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCCC(=O)NC ZINC000571222313 323138405 /nfs/dbraw/zinc/13/84/05/323138405.db2.gz JPMGPWRNJQJRJO-LLVKDONJSA-N 2 1 245.367 -0.243 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCCC(=O)NC ZINC000571222313 323138404 /nfs/dbraw/zinc/13/84/04/323138404.db2.gz JPMGPWRNJQJRJO-LLVKDONJSA-N 2 1 245.367 -0.243 20 0 BBADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCCC(=O)NC ZINC000571222313 323138403 /nfs/dbraw/zinc/13/84/03/323138403.db2.gz JPMGPWRNJQJRJO-LLVKDONJSA-N 2 1 245.367 -0.243 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCCC(=O)NC ZINC000571222315 323138419 /nfs/dbraw/zinc/13/84/19/323138419.db2.gz JPMGPWRNJQJRJO-NSHDSACASA-N 2 1 245.367 -0.243 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CCCC(=O)NC ZINC000571222315 323138418 /nfs/dbraw/zinc/13/84/18/323138418.db2.gz JPMGPWRNJQJRJO-NSHDSACASA-N 2 1 245.367 -0.243 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCCC(=O)NC ZINC000571222315 323138417 /nfs/dbraw/zinc/13/84/17/323138417.db2.gz JPMGPWRNJQJRJO-NSHDSACASA-N 2 1 245.367 -0.243 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CCCC(=O)NC ZINC000571222315 323138416 /nfs/dbraw/zinc/13/84/16/323138416.db2.gz JPMGPWRNJQJRJO-NSHDSACASA-N 2 1 245.367 -0.243 20 0 BBADMP NCC[N@@H+](CCO)CC[C@@H]1CC[NH2+]C1 ZINC000571325275 323141470 /nfs/dbraw/zinc/14/14/70/323141470.db2.gz CNAHTNDUDMEVQN-JTQLQIEISA-N 2 1 201.314 -0.761 20 0 BBADMP NCC[N@H+](CCO)CC[C@@H]1CC[NH2+]C1 ZINC000571325275 323141469 /nfs/dbraw/zinc/14/14/69/323141469.db2.gz CNAHTNDUDMEVQN-JTQLQIEISA-N 2 1 201.314 -0.761 20 0 BBADMP NCC[N@@H+](CCO)CC[C@H]1CC[NH2+]C1 ZINC000571325282 323141423 /nfs/dbraw/zinc/14/14/23/323141423.db2.gz CNAHTNDUDMEVQN-SNVBAGLBSA-N 2 1 201.314 -0.761 20 0 BBADMP NCC[N@H+](CCO)CC[C@H]1CC[NH2+]C1 ZINC000571325282 323141422 /nfs/dbraw/zinc/14/14/22/323141422.db2.gz CNAHTNDUDMEVQN-SNVBAGLBSA-N 2 1 201.314 -0.761 20 0 BBADMP [NH3+][C@H]1CCC[C@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000571326322 323141510 /nfs/dbraw/zinc/14/15/10/323141510.db2.gz LDLYRJYPOLYGTF-GARJFASQSA-N 2 1 241.335 -0.392 20 0 BBADMP [NH3+][C@H]1CCC[C@@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000571326323 323141499 /nfs/dbraw/zinc/14/14/99/323141499.db2.gz LDLYRJYPOLYGTF-OUAUKWLOSA-N 2 1 241.335 -0.392 20 0 BBADMP C[C@H](O)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000571403194 323143675 /nfs/dbraw/zinc/14/36/75/323143675.db2.gz CQHWBAZGNDWPLY-JTQLQIEISA-N 2 1 216.325 -0.196 20 0 BBADMP O=C([C@H]1CSC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000571405425 323144054 /nfs/dbraw/zinc/14/40/54/323144054.db2.gz WYVGNCUSHQRLIG-IVZWLZJFSA-N 2 1 241.360 -0.283 20 0 BBADMP O=C([C@H]1CSC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000571405427 323144049 /nfs/dbraw/zinc/14/40/49/323144049.db2.gz WYVGNCUSHQRLIG-KXUCPTDWSA-N 2 1 241.360 -0.283 20 0 BBADMP O=C([C@H]1CSC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000571405428 323144024 /nfs/dbraw/zinc/14/40/24/323144024.db2.gz WYVGNCUSHQRLIG-LPEHRKFASA-N 2 1 241.360 -0.283 20 0 BBADMP O=C([C@H]1CSC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000571405429 323143933 /nfs/dbraw/zinc/14/39/33/323143933.db2.gz WYVGNCUSHQRLIG-OPRDCNLKSA-N 2 1 241.360 -0.283 20 0 BBADMP C[N@@H+](C[C@H](O)C[NH2+]CCc1cn[nH]c1)C1CC1 ZINC000571433056 323144656 /nfs/dbraw/zinc/14/46/56/323144656.db2.gz PKHXVAKWSHKLDZ-GFCCVEGCSA-N 2 1 238.335 -0.003 20 0 BBADMP C[N@H+](C[C@H](O)C[NH2+]CCc1cn[nH]c1)C1CC1 ZINC000571433056 323144655 /nfs/dbraw/zinc/14/46/55/323144655.db2.gz PKHXVAKWSHKLDZ-GFCCVEGCSA-N 2 1 238.335 -0.003 20 0 BBADMP C[N@@H+](C[C@@H](O)C[NH2+]CCc1cn[nH]c1)C1CC1 ZINC000571433057 323144617 /nfs/dbraw/zinc/14/46/17/323144617.db2.gz PKHXVAKWSHKLDZ-LBPRGKRZSA-N 2 1 238.335 -0.003 20 0 BBADMP C[N@H+](C[C@@H](O)C[NH2+]CCc1cn[nH]c1)C1CC1 ZINC000571433057 323144616 /nfs/dbraw/zinc/14/46/16/323144616.db2.gz PKHXVAKWSHKLDZ-LBPRGKRZSA-N 2 1 238.335 -0.003 20 0 BBADMP [NH3+]CC(F)(F)CC(=O)N1CCC([NH3+])CC1 ZINC000571575668 323148247 /nfs/dbraw/zinc/14/82/47/323148247.db2.gz ZHLBIUCFXPEMLB-UHFFFAOYSA-N 2 1 221.251 -0.080 20 0 BBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)C[NH2+]C2CC2)C1 ZINC000571641012 323150472 /nfs/dbraw/zinc/15/04/72/323150472.db2.gz XRKIRIUHRNFDOI-LLVKDONJSA-N 2 1 229.299 -0.102 20 0 BBADMP C[C@]1(F)C[NH2+]CCN(C(=O)C[NH2+]C2CC2)C1 ZINC000571641013 323150508 /nfs/dbraw/zinc/15/05/08/323150508.db2.gz XRKIRIUHRNFDOI-NSHDSACASA-N 2 1 229.299 -0.102 20 0 BBADMP CNC(=O)CC[N@@H+](C)C[C@@](C)(O)C[NH2+]C ZINC000571648320 351384472 /nfs/dbraw/zinc/38/44/72/351384472.db2.gz MMVSNMWROQRNJK-JTQLQIEISA-N 2 1 217.313 -0.975 20 0 BBADMP CNC(=O)CC[N@@H+](C)C[C@](C)(O)C[NH2+]C ZINC000571648321 351384421 /nfs/dbraw/zinc/38/44/21/351384421.db2.gz MMVSNMWROQRNJK-SNVBAGLBSA-N 2 1 217.313 -0.975 20 0 BBADMP [NH3+][C@H]1C[C@@H](C(=O)N2CC[NH2+]C[C@@H]2C(F)F)C1 ZINC000571683670 323346755 /nfs/dbraw/zinc/34/67/55/323346755.db2.gz XMCOCRZYULMZKA-GJMOJQLCSA-N 2 1 233.262 -0.211 20 0 BBADMP [NH3+][C@H]1C[C@@H](C(=O)N2CC[NH2+]C[C@H]2C(F)F)C1 ZINC000571683672 323346785 /nfs/dbraw/zinc/34/67/85/323346785.db2.gz XMCOCRZYULMZKA-RNJXMRFFSA-N 2 1 233.262 -0.211 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN(CC(N)=O)C(C)C ZINC000571723443 387153208 /nfs/dbraw/zinc/15/32/08/387153208.db2.gz OUWOBAYZCUYNQD-JTQLQIEISA-N 2 1 231.340 -0.505 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)CN(CC(N)=O)C(C)C ZINC000571723444 387152952 /nfs/dbraw/zinc/15/29/52/387152952.db2.gz OUWOBAYZCUYNQD-SNVBAGLBSA-N 2 1 231.340 -0.505 20 0 BBADMP [NH3+]CC(F)(F)CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000571771990 387166341 /nfs/dbraw/zinc/16/63/41/387166341.db2.gz VSLYQHHMELZSJC-BDINMYNLSA-N 2 1 219.235 -0.696 20 0 BBADMP C[C@@H]1CCN(CCN2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000571802384 387174590 /nfs/dbraw/zinc/17/45/90/387174590.db2.gz NWMJXWWGYBUYLM-CHWSQXEVSA-N 2 1 240.395 -0.192 20 0 BBADMP C[C@@H]1CC[N@@H+](CCN2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000571802384 387174585 /nfs/dbraw/zinc/17/45/85/387174585.db2.gz NWMJXWWGYBUYLM-CHWSQXEVSA-N 3 1 240.395 -0.192 20 0 BBADMP C[C@@H]1CCN(CCN2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000571802397 387174050 /nfs/dbraw/zinc/17/40/50/387174050.db2.gz NWMJXWWGYBUYLM-OLZOCXBDSA-N 2 1 240.395 -0.192 20 0 BBADMP C[C@@H]1CC[N@@H+](CCN2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000571802397 387174044 /nfs/dbraw/zinc/17/40/44/387174044.db2.gz NWMJXWWGYBUYLM-OLZOCXBDSA-N 3 1 240.395 -0.192 20 0 BBADMP C[C@H]1CCN(CCN2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000571802399 387174628 /nfs/dbraw/zinc/17/46/28/387174628.db2.gz NWMJXWWGYBUYLM-QWHCGFSZSA-N 2 1 240.395 -0.192 20 0 BBADMP C[C@H]1CC[N@@H+](CCN2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000571802399 387174619 /nfs/dbraw/zinc/17/46/19/387174619.db2.gz NWMJXWWGYBUYLM-QWHCGFSZSA-N 3 1 240.395 -0.192 20 0 BBADMP C[C@H]1CCN(CCN2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000571802400 387174572 /nfs/dbraw/zinc/17/45/72/387174572.db2.gz NWMJXWWGYBUYLM-STQMWFEESA-N 2 1 240.395 -0.192 20 0 BBADMP C[C@H]1CC[N@@H+](CCN2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000571802400 387174569 /nfs/dbraw/zinc/17/45/69/387174569.db2.gz NWMJXWWGYBUYLM-STQMWFEESA-N 3 1 240.395 -0.192 20 0 BBADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]CCC(N)=O ZINC000571882043 387191430 /nfs/dbraw/zinc/19/14/30/387191430.db2.gz MLKCBOJJACEHEL-JTQLQIEISA-N 2 1 231.340 -0.456 20 0 BBADMP CC[NH+](CC)CC[C@H](CO)[NH2+]CCC(N)=O ZINC000571882044 387190886 /nfs/dbraw/zinc/19/08/86/387190886.db2.gz MLKCBOJJACEHEL-SNVBAGLBSA-N 2 1 231.340 -0.456 20 0 BBADMP COCC[N@@H+](C)CCCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000571926247 387199759 /nfs/dbraw/zinc/19/97/59/387199759.db2.gz MSVCGLSUHIALJP-PHIMTYICSA-N 2 1 243.351 -0.192 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(C(=O)OC)CC1 ZINC000571928420 323504683 /nfs/dbraw/zinc/50/46/83/323504683.db2.gz FBDOYNJDSWZSGJ-GFCCVEGCSA-N 2 1 244.335 -0.158 20 0 BBADMP C[NH2+]C[C@](C)(O)C[NH+]1CCC(C(=O)OC)CC1 ZINC000571928424 387199041 /nfs/dbraw/zinc/19/90/41/387199041.db2.gz FBDOYNJDSWZSGJ-LBPRGKRZSA-N 2 1 244.335 -0.158 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000571937181 387203570 /nfs/dbraw/zinc/20/35/70/387203570.db2.gz NZYRKVARQNISCY-GRYCIOLGSA-N 2 1 230.352 -0.141 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000571937181 387203567 /nfs/dbraw/zinc/20/35/67/387203567.db2.gz NZYRKVARQNISCY-GRYCIOLGSA-N 2 1 230.352 -0.141 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H](CO)C1 ZINC000571937181 387203561 /nfs/dbraw/zinc/20/35/61/387203561.db2.gz NZYRKVARQNISCY-GRYCIOLGSA-N 2 1 230.352 -0.141 20 0 BBADMP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H](CO)C1 ZINC000571937181 387203557 /nfs/dbraw/zinc/20/35/57/387203557.db2.gz NZYRKVARQNISCY-GRYCIOLGSA-N 2 1 230.352 -0.141 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000571937182 387203835 /nfs/dbraw/zinc/20/38/35/387203835.db2.gz NZYRKVARQNISCY-WOPDTQHZSA-N 2 1 230.352 -0.141 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000571937182 387203829 /nfs/dbraw/zinc/20/38/29/387203829.db2.gz NZYRKVARQNISCY-WOPDTQHZSA-N 2 1 230.352 -0.141 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](CO)C1 ZINC000571937182 387203825 /nfs/dbraw/zinc/20/38/25/387203825.db2.gz NZYRKVARQNISCY-WOPDTQHZSA-N 2 1 230.352 -0.141 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](CO)C1 ZINC000571937182 387203821 /nfs/dbraw/zinc/20/38/21/387203821.db2.gz NZYRKVARQNISCY-WOPDTQHZSA-N 2 1 230.352 -0.141 20 0 BBADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000572043798 387221194 /nfs/dbraw/zinc/22/11/94/387221194.db2.gz QZSAQJHLTSFZLO-AEJSXWLSSA-N 2 1 211.309 -0.208 20 0 BBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000572043803 387219639 /nfs/dbraw/zinc/21/96/39/387219639.db2.gz QZSAQJHLTSFZLO-BBBLOLIVSA-N 2 1 211.309 -0.208 20 0 BBADMP OC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1CC[NH2+]CC1 ZINC000572121668 387239669 /nfs/dbraw/zinc/23/96/69/387239669.db2.gz ICKGLARRTWNCAF-FUNVUKJBSA-N 2 1 239.363 -0.121 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CCn1cccn1 ZINC000572249533 387279401 /nfs/dbraw/zinc/27/94/01/387279401.db2.gz OSLHQLVUIGNCLW-LLVKDONJSA-N 2 1 226.324 -0.215 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)CCn1cccn1 ZINC000572249533 387279395 /nfs/dbraw/zinc/27/93/95/387279395.db2.gz OSLHQLVUIGNCLW-LLVKDONJSA-N 2 1 226.324 -0.215 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CCn1cccn1 ZINC000572249534 387278568 /nfs/dbraw/zinc/27/85/68/387278568.db2.gz OSLHQLVUIGNCLW-NSHDSACASA-N 2 1 226.324 -0.215 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+](C)CCn1cccn1 ZINC000572249534 387278565 /nfs/dbraw/zinc/27/85/65/387278565.db2.gz OSLHQLVUIGNCLW-NSHDSACASA-N 2 1 226.324 -0.215 20 0 BBADMP [NH3+]CC[C@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000572286787 387308314 /nfs/dbraw/zinc/30/83/14/387308314.db2.gz AFPQKCUWACTZBR-CYBMUJFWSA-N 3 1 240.395 -0.048 20 0 BBADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000572286788 387307532 /nfs/dbraw/zinc/30/75/32/387307532.db2.gz AFPQKCUWACTZBR-ZDUSSCGKSA-N 3 1 240.395 -0.048 20 0 BBADMP CC(C)(C[NH3+])NC(=O)CC(F)(F)C[NH3+] ZINC000572373821 323612471 /nfs/dbraw/zinc/61/24/71/323612471.db2.gz ULJNTOMIUVHDTK-UHFFFAOYSA-N 2 1 209.240 -0.176 20 0 BBADMP Cn1nnnc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000572602926 388360808 /nfs/dbraw/zinc/36/08/08/388360808.db2.gz FJHYSECKYCODJW-SECBINFHSA-N 2 1 224.312 -0.229 20 0 BBADMP Cn1nnnc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000572602926 388360806 /nfs/dbraw/zinc/36/08/06/388360806.db2.gz FJHYSECKYCODJW-SECBINFHSA-N 2 1 224.312 -0.229 20 0 BBADMP Cn1nnnc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000572602927 388360835 /nfs/dbraw/zinc/36/08/35/388360835.db2.gz FJHYSECKYCODJW-VIFPVBQESA-N 2 1 224.312 -0.229 20 0 BBADMP Cn1nnnc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000572602927 388360832 /nfs/dbraw/zinc/36/08/32/388360832.db2.gz FJHYSECKYCODJW-VIFPVBQESA-N 2 1 224.312 -0.229 20 0 BBADMP C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000572999724 326424057 /nfs/dbraw/zinc/42/40/57/326424057.db2.gz WOCWMPPTHGHQSE-KOLCDFICSA-N 2 1 234.303 -0.098 20 0 BBADMP C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000572999725 388404729 /nfs/dbraw/zinc/40/47/29/388404729.db2.gz WOCWMPPTHGHQSE-MWLCHTKSSA-N 2 1 234.303 -0.098 20 0 BBADMP C[NH+]1CCN(C(=O)CCN2CC[C@H]([NH3+])C2)CC1 ZINC000573001533 388404861 /nfs/dbraw/zinc/40/48/61/388404861.db2.gz STDXREJQCMJMEH-NSHDSACASA-N 3 1 240.351 -0.817 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000573003332 388405474 /nfs/dbraw/zinc/40/54/74/388405474.db2.gz KQOSMZUYIJFODD-AEJSXWLSSA-N 2 1 211.309 -0.066 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000573003333 388405342 /nfs/dbraw/zinc/40/53/42/388405342.db2.gz KQOSMZUYIJFODD-KXUCPTDWSA-N 2 1 211.309 -0.066 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CCN1CCOCC1 ZINC000573097114 388419978 /nfs/dbraw/zinc/41/99/78/388419978.db2.gz KGIWGVOALIXRQB-GFCCVEGCSA-N 2 1 245.367 -0.779 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)CCN1CCOCC1 ZINC000573097114 388419975 /nfs/dbraw/zinc/41/99/75/388419975.db2.gz KGIWGVOALIXRQB-GFCCVEGCSA-N 2 1 245.367 -0.779 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CCN1CCOCC1 ZINC000573097118 388419606 /nfs/dbraw/zinc/41/96/06/388419606.db2.gz KGIWGVOALIXRQB-LBPRGKRZSA-N 2 1 245.367 -0.779 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+](C)CCN1CCOCC1 ZINC000573097118 388419604 /nfs/dbraw/zinc/41/96/04/388419604.db2.gz KGIWGVOALIXRQB-LBPRGKRZSA-N 2 1 245.367 -0.779 20 0 BBADMP [NH3+]Cc1nc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cs1 ZINC000573119228 388421818 /nfs/dbraw/zinc/42/18/18/388421818.db2.gz HXDHKHZAAIYYST-KPCSLPGQSA-N 2 1 238.316 -0.451 20 0 BBADMP C[NH2+]CCC[N@@H+](C)CCNC(=O)N(C)C ZINC000573121595 388422071 /nfs/dbraw/zinc/42/20/71/388422071.db2.gz LUWATWUBJGEDRG-UHFFFAOYSA-N 2 1 216.329 -0.201 20 0 BBADMP C[NH2+]CCC[N@H+](C)CCNC(=O)N(C)C ZINC000573121595 388422068 /nfs/dbraw/zinc/42/20/68/388422068.db2.gz LUWATWUBJGEDRG-UHFFFAOYSA-N 2 1 216.329 -0.201 20 0 BBADMP CNC(=O)N[C@@H]1CC[N@@H+](CCC[NH2+]C)C1 ZINC000573249929 388436038 /nfs/dbraw/zinc/43/60/38/388436038.db2.gz NGINRYUIUGPGQU-SECBINFHSA-N 2 1 214.313 -0.401 20 0 BBADMP CNC(=O)N[C@@H]1CC[N@H+](CCC[NH2+]C)C1 ZINC000573249929 388436037 /nfs/dbraw/zinc/43/60/37/388436037.db2.gz NGINRYUIUGPGQU-SECBINFHSA-N 2 1 214.313 -0.401 20 0 BBADMP CNC(=O)N[C@H]1CC[N@@H+](CCC[NH2+]C)C1 ZINC000573249930 388436022 /nfs/dbraw/zinc/43/60/22/388436022.db2.gz NGINRYUIUGPGQU-VIFPVBQESA-N 2 1 214.313 -0.401 20 0 BBADMP CNC(=O)N[C@H]1CC[N@H+](CCC[NH2+]C)C1 ZINC000573249930 388436020 /nfs/dbraw/zinc/43/60/20/388436020.db2.gz NGINRYUIUGPGQU-VIFPVBQESA-N 2 1 214.313 -0.401 20 0 BBADMP O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1CSC[NH2+]1 ZINC000573250886 322956402 /nfs/dbraw/zinc/95/64/02/322956402.db2.gz JAMMPAGSNFDOCK-BDAKNGLRSA-N 2 1 245.348 -0.856 20 0 BBADMP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CSC[NH2+]1 ZINC000573250887 384370975 /nfs/dbraw/zinc/37/09/75/384370975.db2.gz JAMMPAGSNFDOCK-IUCAKERBSA-N 2 1 245.348 -0.856 20 0 BBADMP CC(C)([NH3+])C[NH2+]CCCN1CC[NH2+]CC1 ZINC000573323561 364798920 /nfs/dbraw/zinc/79/89/20/364798920.db2.gz NOYXFTRNZOHPJZ-UHFFFAOYSA-N 3 1 214.357 -0.391 20 0 BBADMP C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000573446296 364834942 /nfs/dbraw/zinc/83/49/42/364834942.db2.gz WOCWMPPTHGHQSE-GXSJLCMTSA-N 2 1 234.303 -0.098 20 0 BBADMP C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000573446297 364834931 /nfs/dbraw/zinc/83/49/31/364834931.db2.gz WOCWMPPTHGHQSE-ONGXEEELSA-N 2 1 234.303 -0.098 20 0 BBADMP [NH3+]CCC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000573563762 364862167 /nfs/dbraw/zinc/86/21/67/364862167.db2.gz HOCUDVJFVYCFHL-JTQLQIEISA-N 3 1 228.340 -0.878 20 0 BBADMP [NH3+]CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000573563775 364861545 /nfs/dbraw/zinc/86/15/45/364861545.db2.gz HOCUDVJFVYCFHL-SNVBAGLBSA-N 3 1 228.340 -0.878 20 0 BBADMP C[NH2+]CCCNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000573609260 364873903 /nfs/dbraw/zinc/87/39/03/364873903.db2.gz ZXIZKRSPWZMNPK-LLVKDONJSA-N 2 1 242.367 -0.652 20 0 BBADMP C[NH2+]CCCNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000573609261 364873994 /nfs/dbraw/zinc/87/39/94/364873994.db2.gz ZXIZKRSPWZMNPK-NSHDSACASA-N 2 1 242.367 -0.652 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000573731405 364905003 /nfs/dbraw/zinc/90/50/03/364905003.db2.gz DGLFWHKZWITJEQ-AXFHLTTASA-N 3 1 215.341 -0.374 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000573731405 364904999 /nfs/dbraw/zinc/90/49/99/364904999.db2.gz DGLFWHKZWITJEQ-AXFHLTTASA-N 3 1 215.341 -0.374 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000573731406 364904797 /nfs/dbraw/zinc/90/47/97/364904797.db2.gz DGLFWHKZWITJEQ-DCAQKATOSA-N 3 1 215.341 -0.374 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000573731406 364904793 /nfs/dbraw/zinc/90/47/93/364904793.db2.gz DGLFWHKZWITJEQ-DCAQKATOSA-N 3 1 215.341 -0.374 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000573731407 364905196 /nfs/dbraw/zinc/90/51/96/364905196.db2.gz DGLFWHKZWITJEQ-MXWKQRLJSA-N 3 1 215.341 -0.374 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000573731407 364905191 /nfs/dbraw/zinc/90/51/91/364905191.db2.gz DGLFWHKZWITJEQ-MXWKQRLJSA-N 3 1 215.341 -0.374 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000573731409 364904664 /nfs/dbraw/zinc/90/46/64/364904664.db2.gz DGLFWHKZWITJEQ-VWYCJHECSA-N 3 1 215.341 -0.374 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000573731409 364904662 /nfs/dbraw/zinc/90/46/62/364904662.db2.gz DGLFWHKZWITJEQ-VWYCJHECSA-N 3 1 215.341 -0.374 20 0 BBADMP [NH3+]CCOCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000573802731 364918973 /nfs/dbraw/zinc/91/89/73/364918973.db2.gz VBAJOYBTDQHOAG-TXEJJXNPSA-N 3 1 227.352 -0.107 20 0 BBADMP CCS(=O)(=O)NCCC[NH+]1CCC([NH3+])CC1 ZINC000573803387 364919918 /nfs/dbraw/zinc/91/99/18/364919918.db2.gz ZZKNQMLZGRYORM-UHFFFAOYSA-N 2 1 249.380 -0.261 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000573806159 364921457 /nfs/dbraw/zinc/92/14/57/364921457.db2.gz ZYKIOHOAFLXLFL-AOOOYVTPSA-N 2 1 229.324 -0.582 20 0 BBADMP [NH3+]CCOCC[N@H+]1CCOC2(CCOCC2)C1 ZINC000573855430 364931978 /nfs/dbraw/zinc/93/19/78/364931978.db2.gz GLVLQVRNXQBCBW-UHFFFAOYSA-N 2 1 244.335 -0.157 20 0 BBADMP Cn1c[nH+]cc1CCC[N@@H+](C)CC(N)=O ZINC000573930808 364949464 /nfs/dbraw/zinc/94/94/64/364949464.db2.gz CNPKJFZCXLWJJR-UHFFFAOYSA-N 2 1 210.281 -0.230 20 0 BBADMP Cn1c[nH+]cc1CCC[N@H+](C)CC(N)=O ZINC000573930808 364949458 /nfs/dbraw/zinc/94/94/58/364949458.db2.gz CNPKJFZCXLWJJR-UHFFFAOYSA-N 2 1 210.281 -0.230 20 0 BBADMP C[C@H](O)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000573957410 388442863 /nfs/dbraw/zinc/44/28/63/388442863.db2.gz UNHQQQCVJVMNCF-NSHDSACASA-N 2 1 229.368 -0.017 20 0 BBADMP C[C@@H]1C[N@@H+](CCC[NH2+]CCC(N)=O)CCCO1 ZINC000574150751 364997055 /nfs/dbraw/zinc/99/70/55/364997055.db2.gz IITYVRMBQFQNNR-LLVKDONJSA-N 2 1 243.351 -0.048 20 0 BBADMP C[C@H]1C[N@@H+](CCC[NH2+]CCC(N)=O)CCCO1 ZINC000574150755 364996909 /nfs/dbraw/zinc/99/69/09/364996909.db2.gz IITYVRMBQFQNNR-NSHDSACASA-N 2 1 243.351 -0.048 20 0 BBADMP COCC[NH+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000574281028 365027920 /nfs/dbraw/zinc/02/79/20/365027920.db2.gz TYZMBKQNXPXCSV-PHIMTYICSA-N 2 1 241.335 -0.486 20 0 BBADMP C[N@H+]1CCN(CC[NH2+]CCC(N)=O)CC1(C)C ZINC000574392968 365051349 /nfs/dbraw/zinc/05/13/49/365051349.db2.gz KFXANZGJXVALEP-UHFFFAOYSA-N 2 1 242.367 -0.523 20 0 BBADMP C[C@@H]1C[N@@H+](CCN2CC[C@H]([NH3+])C2)CCO1 ZINC000574452570 365064874 /nfs/dbraw/zinc/06/48/74/365064874.db2.gz CKIUIGWLVFPCDN-MNOVXSKESA-N 2 1 213.325 -0.260 20 0 BBADMP C[C@@H]1C[N@H+](CCN2CC[C@H]([NH3+])C2)CCO1 ZINC000574452570 365064868 /nfs/dbraw/zinc/06/48/68/365064868.db2.gz CKIUIGWLVFPCDN-MNOVXSKESA-N 2 1 213.325 -0.260 20 0 BBADMP C[C@H]1C[N@@H+](CCN2CC[C@H]([NH3+])C2)CCO1 ZINC000574452572 365065294 /nfs/dbraw/zinc/06/52/94/365065294.db2.gz CKIUIGWLVFPCDN-QWRGUYRKSA-N 2 1 213.325 -0.260 20 0 BBADMP C[C@H]1C[N@H+](CCN2CC[C@H]([NH3+])C2)CCO1 ZINC000574452572 365065289 /nfs/dbraw/zinc/06/52/89/365065289.db2.gz CKIUIGWLVFPCDN-QWRGUYRKSA-N 2 1 213.325 -0.260 20 0 BBADMP CN(C(=O)CC(F)(F)C[NH3+])C1CC([NH3+])C1 ZINC000574461138 365067436 /nfs/dbraw/zinc/06/74/36/365067436.db2.gz BJPZBPBPGRREPE-UHFFFAOYSA-N 2 1 221.251 -0.081 20 0 BBADMP CC1=CC[N@@H+](CCNC(=O)NC2C[NH2+]C2)CC1 ZINC000574548682 365088105 /nfs/dbraw/zinc/08/81/05/365088105.db2.gz VRIBTGDRYIDYEI-UHFFFAOYSA-N 2 1 238.335 -0.091 20 0 BBADMP COCCCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000574823164 365153229 /nfs/dbraw/zinc/15/32/29/365153229.db2.gz HWEPAYMYCXTFNL-GHMZBOCLSA-N 2 1 241.335 -0.343 20 0 BBADMP COCCCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000574823169 365152774 /nfs/dbraw/zinc/15/27/74/365152774.db2.gz HWEPAYMYCXTFNL-MNOVXSKESA-N 2 1 241.335 -0.343 20 0 BBADMP COCCCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000574823171 365153382 /nfs/dbraw/zinc/15/33/82/365153382.db2.gz HWEPAYMYCXTFNL-QWRGUYRKSA-N 2 1 241.335 -0.343 20 0 BBADMP COCCCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000574823172 365153580 /nfs/dbraw/zinc/15/35/80/365153580.db2.gz HWEPAYMYCXTFNL-WDEREUQCSA-N 2 1 241.335 -0.343 20 0 BBADMP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CSC[NH2+]2)CCCO1 ZINC000574876972 365165070 /nfs/dbraw/zinc/16/50/70/365165070.db2.gz GPGLORZKIDDKAX-BDAKNGLRSA-N 2 1 245.348 -0.775 20 0 BBADMP [NH3+]C[C@H]1CN(C(=O)[C@H]2CSC[NH2+]2)CCCO1 ZINC000574876976 365164902 /nfs/dbraw/zinc/16/49/02/365164902.db2.gz GPGLORZKIDDKAX-DTWKUNHWSA-N 2 1 245.348 -0.775 20 0 BBADMP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CSC[NH2+]2)CCCO1 ZINC000574876977 365164878 /nfs/dbraw/zinc/16/48/78/365164878.db2.gz GPGLORZKIDDKAX-IUCAKERBSA-N 2 1 245.348 -0.775 20 0 BBADMP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CSC[NH2+]2)CCCO1 ZINC000574876978 365165560 /nfs/dbraw/zinc/16/55/60/365165560.db2.gz GPGLORZKIDDKAX-RKDXNWHRSA-N 2 1 245.348 -0.775 20 0 BBADMP CO[C@H]1C[NH2+][C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2C)C1 ZINC000574880672 345073445 /nfs/dbraw/zinc/07/34/45/345073445.db2.gz PRDCZWLPUMOBNV-GMTAPVOTSA-N 2 1 241.335 -0.474 20 0 BBADMP CO[C@H]1C[NH2+][C@@H](C(=O)N2CC[N@H+](C)C[C@H]2C)C1 ZINC000574880672 345073443 /nfs/dbraw/zinc/07/34/43/345073443.db2.gz PRDCZWLPUMOBNV-GMTAPVOTSA-N 2 1 241.335 -0.474 20 0 BBADMP CN(Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000575073668 365188794 /nfs/dbraw/zinc/18/87/94/365188794.db2.gz PMWBEDORQNHZEZ-MYJAWHEDSA-N 2 1 235.291 -0.231 20 0 BBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000575409343 365312724 /nfs/dbraw/zinc/31/27/24/365312724.db2.gz HTJQOMMDSURLST-AXFHLTTASA-N 2 1 240.351 -0.914 20 0 BBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000575409344 365312103 /nfs/dbraw/zinc/31/21/03/365312103.db2.gz HTJQOMMDSURLST-OUAUKWLOSA-N 2 1 240.351 -0.914 20 0 BBADMP C[NH2+]CCCN(C)CCC(=O)N1CC[NH2+]CC1 ZINC000575803893 365367965 /nfs/dbraw/zinc/36/79/65/365367965.db2.gz SNCLNRRNQRQNNV-UHFFFAOYSA-N 2 1 242.367 -0.650 20 0 BBADMP C[NH2+]CCC[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000575803893 365367961 /nfs/dbraw/zinc/36/79/61/365367961.db2.gz SNCLNRRNQRQNNV-UHFFFAOYSA-N 3 1 242.367 -0.650 20 0 BBADMP C[N@H+]1CCC[C@@H](CNC(=O)COC2C[NH2+]C2)C1 ZINC000575806485 365369900 /nfs/dbraw/zinc/36/99/00/365369900.db2.gz NBAQVKCHSPHRTB-JTQLQIEISA-N 2 1 241.335 -0.567 20 0 BBADMP C[N@H+]1CCC[C@H](CNC(=O)COC2C[NH2+]C2)C1 ZINC000575806486 365369553 /nfs/dbraw/zinc/36/95/53/365369553.db2.gz NBAQVKCHSPHRTB-SNVBAGLBSA-N 2 1 241.335 -0.567 20 0 BBADMP C[C@H](C[NH3+])CNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000575923770 365416526 /nfs/dbraw/zinc/41/65/26/365416526.db2.gz FSORBZKOGNQMHU-GHMZBOCLSA-N 2 1 242.367 -0.667 20 0 BBADMP C[C@H](C[NH3+])CNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000575923771 365416609 /nfs/dbraw/zinc/41/66/09/365416609.db2.gz FSORBZKOGNQMHU-MNOVXSKESA-N 2 1 242.367 -0.667 20 0 BBADMP C[C@@H](C[NH3+])CNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000575923772 365416469 /nfs/dbraw/zinc/41/64/69/365416469.db2.gz FSORBZKOGNQMHU-QWRGUYRKSA-N 2 1 242.367 -0.667 20 0 BBADMP C[C@H](C(=O)NC[C@@H](C)C[NH3+])N1CC[NH+](C)CC1 ZINC000575923773 365416160 /nfs/dbraw/zinc/41/61/60/365416160.db2.gz FSORBZKOGNQMHU-WDEREUQCSA-N 2 1 242.367 -0.667 20 0 BBADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CC(F)(F)C[NH3+] ZINC000576117642 365492364 /nfs/dbraw/zinc/49/23/64/365492364.db2.gz SYSNSNMKMJNGTM-BQBZGAKWSA-N 2 1 221.251 -0.081 20 0 BBADMP CC[C@H]([NH3+])C(=O)NCC[N@H+]1CCCOCC1 ZINC000576157932 365502584 /nfs/dbraw/zinc/50/25/84/365502584.db2.gz XJELTYXBYFERKM-JTQLQIEISA-N 2 1 229.324 -0.438 20 0 BBADMP CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCCOCC1 ZINC000576157932 365502576 /nfs/dbraw/zinc/50/25/76/365502576.db2.gz XJELTYXBYFERKM-JTQLQIEISA-N 2 1 229.324 -0.438 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)CN(CC(N)=O)CC(C)C ZINC000576217363 365524862 /nfs/dbraw/zinc/52/48/62/365524862.db2.gz RKGBFAJQMLMZDN-LLVKDONJSA-N 2 1 245.367 -0.258 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN(CC(N)=O)CC(C)C ZINC000576217364 365524924 /nfs/dbraw/zinc/52/49/24/365524924.db2.gz RKGBFAJQMLMZDN-NSHDSACASA-N 2 1 245.367 -0.258 20 0 BBADMP [NH3+]CCC(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000576281203 365549656 /nfs/dbraw/zinc/54/96/56/365549656.db2.gz YDEIZNTUCLIBPH-LLVKDONJSA-N 2 1 234.303 -0.097 20 0 BBADMP [NH3+]CCC(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000576281204 365549669 /nfs/dbraw/zinc/54/96/69/365549669.db2.gz YDEIZNTUCLIBPH-NSHDSACASA-N 2 1 234.303 -0.097 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)CC1(C[NH3+])CC1 ZINC000576341969 365571021 /nfs/dbraw/zinc/57/10/21/365571021.db2.gz JNOUSORHPKFEMT-UHFFFAOYSA-N 2 1 243.351 -0.190 20 0 BBADMP C[NH2+]CCCNC(=O)CC(F)(F)C[NH3+] ZINC000576356030 365575806 /nfs/dbraw/zinc/57/58/06/365575806.db2.gz ZPSMNKGGRAYTIB-UHFFFAOYSA-N 2 1 209.240 -0.304 20 0 BBADMP CC(C)([NH3+])C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000576637225 365645064 /nfs/dbraw/zinc/64/50/64/365645064.db2.gz YHIVBWNJCZPXPR-JTQLQIEISA-N 2 1 202.298 -0.457 20 0 BBADMP CC(C)([NH3+])C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000576637225 365645061 /nfs/dbraw/zinc/64/50/61/365645061.db2.gz YHIVBWNJCZPXPR-JTQLQIEISA-N 2 1 202.298 -0.457 20 0 BBADMP CC(C)([NH3+])C[N@H+]1CCC[C@](O)(CO)C1 ZINC000576637228 365644750 /nfs/dbraw/zinc/64/47/50/365644750.db2.gz YHIVBWNJCZPXPR-SNVBAGLBSA-N 2 1 202.298 -0.457 20 0 BBADMP CC(C)([NH3+])C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000576637228 365644747 /nfs/dbraw/zinc/64/47/47/365644747.db2.gz YHIVBWNJCZPXPR-SNVBAGLBSA-N 2 1 202.298 -0.457 20 0 BBADMP Cn1[nH]c(C[N@H+]2CCC[C@H](CC[NH3+])C2)nc1=O ZINC000576637277 365645212 /nfs/dbraw/zinc/64/52/12/365645212.db2.gz UGRFMBPFROLLLQ-SECBINFHSA-N 2 1 239.323 -0.331 20 0 BBADMP Cn1[nH]c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)nc1=O ZINC000576637278 365644770 /nfs/dbraw/zinc/64/47/70/365644770.db2.gz UGRFMBPFROLLLQ-VIFPVBQESA-N 2 1 239.323 -0.331 20 0 BBADMP CC1CC[NH+](CCn2nnnc2C[NH3+])CC1 ZINC000576700308 365661256 /nfs/dbraw/zinc/66/12/56/365661256.db2.gz BFQVUILCDSZDSO-UHFFFAOYSA-N 2 1 224.312 -0.136 20 0 BBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000576701485 365662646 /nfs/dbraw/zinc/66/26/46/365662646.db2.gz DMNUZWYGWCHJNW-LLVKDONJSA-N 2 1 241.335 -0.295 20 0 BBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000576701487 365663426 /nfs/dbraw/zinc/66/34/26/365663426.db2.gz DMNUZWYGWCHJNW-NSHDSACASA-N 2 1 241.335 -0.295 20 0 BBADMP CC[C@@H]([NH3+])CNC(=O)[C@H]([NH2+]C)c1cnn(C)c1 ZINC000576754230 365676841 /nfs/dbraw/zinc/67/68/41/365676841.db2.gz GZTGRCQCCUYXKM-NXEZZACHSA-N 2 1 239.323 -0.466 20 0 BBADMP CC[C@H]([NH3+])CNC(=O)[C@@H]([NH2+]C)c1cnn(C)c1 ZINC000576754231 365677091 /nfs/dbraw/zinc/67/70/91/365677091.db2.gz GZTGRCQCCUYXKM-UWVGGRQHSA-N 2 1 239.323 -0.466 20 0 BBADMP CC[C@H]([NH3+])CNC(=O)[C@H]([NH2+]C)c1cnn(C)c1 ZINC000576754232 365677072 /nfs/dbraw/zinc/67/70/72/365677072.db2.gz GZTGRCQCCUYXKM-VHSXEESVSA-N 2 1 239.323 -0.466 20 0 BBADMP CC[C@@H]([NH3+])CNC(=O)[C@@H]([NH2+]C)c1cnn(C)c1 ZINC000576754233 365677041 /nfs/dbraw/zinc/67/70/41/365677041.db2.gz GZTGRCQCCUYXKM-ZJUUUORDSA-N 2 1 239.323 -0.466 20 0 BBADMP CCC[N@@H+](C)CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000576941711 365726836 /nfs/dbraw/zinc/72/68/36/365726836.db2.gz PEELCGMULYMAOW-LLVKDONJSA-N 2 1 242.367 -0.571 20 0 BBADMP CCC[N@@H+](C)CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000576941712 365726142 /nfs/dbraw/zinc/72/61/42/365726142.db2.gz PEELCGMULYMAOW-NSHDSACASA-N 2 1 242.367 -0.571 20 0 BBADMP [NH3+]CC(F)(F)CC(=O)N1CC[C@H]([NH3+])C1 ZINC000576953483 365730978 /nfs/dbraw/zinc/73/09/78/365730978.db2.gz PXJFTLZUBADAFT-LURJTMIESA-N 2 1 207.224 -0.470 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000576998339 365749352 /nfs/dbraw/zinc/74/93/52/365749352.db2.gz KZIDRBRSSFHNGJ-CMPLNLGQSA-N 2 1 243.351 -0.456 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000576998342 365748599 /nfs/dbraw/zinc/74/85/99/365748599.db2.gz KZIDRBRSSFHNGJ-JQWIXIFHSA-N 2 1 243.351 -0.456 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000576998343 365748663 /nfs/dbraw/zinc/74/86/63/365748663.db2.gz KZIDRBRSSFHNGJ-PWSUYJOCSA-N 2 1 243.351 -0.456 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000576998344 365749404 /nfs/dbraw/zinc/74/94/04/365749404.db2.gz KZIDRBRSSFHNGJ-ZYHUDNBSSA-N 2 1 243.351 -0.456 20 0 BBADMP CC(C)C(=O)NCC[N@@H+](C)CCOCC[NH3+] ZINC000577109801 365818586 /nfs/dbraw/zinc/81/85/86/365818586.db2.gz CLBLTWATSKGXLQ-UHFFFAOYSA-N 2 1 231.340 -0.334 20 0 BBADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000577282874 365916959 /nfs/dbraw/zinc/91/69/59/365916959.db2.gz AZHDOWLABIPAOQ-GARJFASQSA-N 2 1 241.335 -0.833 20 0 BBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000577282875 365917622 /nfs/dbraw/zinc/91/76/22/365917622.db2.gz AZHDOWLABIPAOQ-OUAUKWLOSA-N 2 1 241.335 -0.833 20 0 BBADMP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@@H+](C)C(C)C ZINC000577508073 365974651 /nfs/dbraw/zinc/97/46/51/365974651.db2.gz DEOYXKXALXZQFO-VIFPVBQESA-N 2 1 245.323 -0.667 20 0 BBADMP NCC[N@@H+](CCO)CC[C@H]1CCC[NH2+]C1 ZINC000577513577 365975665 /nfs/dbraw/zinc/97/56/65/365975665.db2.gz RUKPXPSPHBRPGM-LLVKDONJSA-N 2 1 215.341 -0.371 20 0 BBADMP NCC[N@H+](CCO)CC[C@H]1CCC[NH2+]C1 ZINC000577513577 365975662 /nfs/dbraw/zinc/97/56/62/365975662.db2.gz RUKPXPSPHBRPGM-LLVKDONJSA-N 2 1 215.341 -0.371 20 0 BBADMP NCC[N@@H+](CCO)CC[C@@H]1CCC[NH2+]C1 ZINC000577513584 365975816 /nfs/dbraw/zinc/97/58/16/365975816.db2.gz RUKPXPSPHBRPGM-NSHDSACASA-N 2 1 215.341 -0.371 20 0 BBADMP NCC[N@H+](CCO)CC[C@@H]1CCC[NH2+]C1 ZINC000577513584 365975811 /nfs/dbraw/zinc/97/58/11/365975811.db2.gz RUKPXPSPHBRPGM-NSHDSACASA-N 2 1 215.341 -0.371 20 0 BBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000577765055 366056357 /nfs/dbraw/zinc/05/63/57/366056357.db2.gz AVHUFLVRUJKDAV-NXEZZACHSA-N 2 1 249.380 -0.263 20 0 BBADMP CNS(=O)(=O)CCC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000577765055 366056346 /nfs/dbraw/zinc/05/63/46/366056346.db2.gz AVHUFLVRUJKDAV-NXEZZACHSA-N 2 1 249.380 -0.263 20 0 BBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000577765056 366056625 /nfs/dbraw/zinc/05/66/25/366056625.db2.gz AVHUFLVRUJKDAV-UWVGGRQHSA-N 2 1 249.380 -0.263 20 0 BBADMP CNS(=O)(=O)CCC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000577765056 366056619 /nfs/dbraw/zinc/05/66/19/366056619.db2.gz AVHUFLVRUJKDAV-UWVGGRQHSA-N 2 1 249.380 -0.263 20 0 BBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000577765057 366056498 /nfs/dbraw/zinc/05/64/98/366056498.db2.gz AVHUFLVRUJKDAV-VHSXEESVSA-N 2 1 249.380 -0.263 20 0 BBADMP CNS(=O)(=O)CCC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000577765057 366056494 /nfs/dbraw/zinc/05/64/94/366056494.db2.gz AVHUFLVRUJKDAV-VHSXEESVSA-N 2 1 249.380 -0.263 20 0 BBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000577765058 366056857 /nfs/dbraw/zinc/05/68/57/366056857.db2.gz AVHUFLVRUJKDAV-ZJUUUORDSA-N 2 1 249.380 -0.263 20 0 BBADMP CNS(=O)(=O)CCC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000577765058 366056855 /nfs/dbraw/zinc/05/68/55/366056855.db2.gz AVHUFLVRUJKDAV-ZJUUUORDSA-N 2 1 249.380 -0.263 20 0 BBADMP O=C1NCC[C@@H]1[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000578013440 366180272 /nfs/dbraw/zinc/18/02/72/366180272.db2.gz QFKACFIZVQLFSU-AXFHLTTASA-N 2 1 223.320 -0.194 20 0 BBADMP O=C1NCC[C@H]1[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000578013441 366180638 /nfs/dbraw/zinc/18/06/38/366180638.db2.gz QFKACFIZVQLFSU-OUAUKWLOSA-N 2 1 223.320 -0.194 20 0 BBADMP C[C@H](C[NH3+])N(C)C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000578133019 366295562 /nfs/dbraw/zinc/29/55/62/366295562.db2.gz RGMFMSDUQCBVTB-GHMZBOCLSA-N 2 1 242.367 -0.572 20 0 BBADMP C[C@H](C[NH3+])N(C)C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000578133020 366295294 /nfs/dbraw/zinc/29/52/94/366295294.db2.gz RGMFMSDUQCBVTB-MNOVXSKESA-N 2 1 242.367 -0.572 20 0 BBADMP C[C@@H](C[NH3+])N(C)C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000578133021 366295331 /nfs/dbraw/zinc/29/53/31/366295331.db2.gz RGMFMSDUQCBVTB-QWRGUYRKSA-N 2 1 242.367 -0.572 20 0 BBADMP C[C@H](C(=O)N(C)[C@@H](C)C[NH3+])N1CC[NH+](C)CC1 ZINC000578133022 366284662 /nfs/dbraw/zinc/28/46/62/366284662.db2.gz RGMFMSDUQCBVTB-WDEREUQCSA-N 2 1 242.367 -0.572 20 0 BBADMP C[NH+](C)CCNC(=O)CC(F)(F)C[NH3+] ZINC000578139321 366318255 /nfs/dbraw/zinc/31/82/55/366318255.db2.gz CFOIGITZPUOVIC-UHFFFAOYSA-N 2 1 209.240 -0.352 20 0 BBADMP COCC[NH+]1CCN(C(=O)CCCC[NH3+])CC1 ZINC000578195906 366380925 /nfs/dbraw/zinc/38/09/25/366380925.db2.gz QIXXVPLRGBYWTK-UHFFFAOYSA-N 2 1 243.351 -0.094 20 0 BBADMP [NH3+]CC(F)(F)CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000578201789 366386057 /nfs/dbraw/zinc/38/60/57/366386057.db2.gz SMRTZHVXJANFGS-SSDOTTSWSA-N 2 1 221.251 -0.161 20 0 BBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC3CC3)CCN2C1=O ZINC000578206407 366390467 /nfs/dbraw/zinc/39/04/67/366390467.db2.gz ROQJSNSNDHXCHH-NXEZZACHSA-N 2 1 209.293 -0.360 20 0 BBADMP [NH3+][C@H]1C[C@H]2C[N@@H+](CC3CC3)CCN2C1=O ZINC000578206408 366391587 /nfs/dbraw/zinc/39/15/87/366391587.db2.gz ROQJSNSNDHXCHH-UWVGGRQHSA-N 2 1 209.293 -0.360 20 0 BBADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC3CC3)CCN2C1=O ZINC000578206409 366391418 /nfs/dbraw/zinc/39/14/18/366391418.db2.gz ROQJSNSNDHXCHH-VHSXEESVSA-N 2 1 209.293 -0.360 20 0 BBADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC3CC3)CCN2C1=O ZINC000578206410 366390439 /nfs/dbraw/zinc/39/04/39/366390439.db2.gz ROQJSNSNDHXCHH-ZJUUUORDSA-N 2 1 209.293 -0.360 20 0 BBADMP C[NH2+][C@H]1CCN(CCC(=O)N2CCNCC2)C1 ZINC000578324133 366508449 /nfs/dbraw/zinc/50/84/49/366508449.db2.gz UGIDTZJJSIQMCA-NSHDSACASA-N 3 1 240.351 -0.898 20 0 BBADMP COCC[NH2+]CC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000578445435 366570671 /nfs/dbraw/zinc/57/06/71/366570671.db2.gz CPGJKANETKPMHI-LLVKDONJSA-N 2 1 243.351 -0.320 20 0 BBADMP COCC[NH2+]CC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000578445436 366571092 /nfs/dbraw/zinc/57/10/92/366571092.db2.gz CPGJKANETKPMHI-NSHDSACASA-N 2 1 243.351 -0.320 20 0 BBADMP C[NH2+][C@@H]1CCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000578450100 366572301 /nfs/dbraw/zinc/57/23/01/366572301.db2.gz YFXKURPNDZTXTG-SSDOTTSWSA-N 2 1 221.251 -0.209 20 0 BBADMP C[NH2+][C@H]1CCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000578450101 366571895 /nfs/dbraw/zinc/57/18/95/366571895.db2.gz YFXKURPNDZTXTG-ZETCQYMHSA-N 2 1 221.251 -0.209 20 0 BBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000578508893 366584840 /nfs/dbraw/zinc/58/48/40/366584840.db2.gz JRAWUWQAPKVEGX-JLLWLGSASA-N 2 1 241.310 -0.102 20 0 BBADMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000578508894 366584086 /nfs/dbraw/zinc/58/40/86/366584086.db2.gz JRAWUWQAPKVEGX-USWWRNFRSA-N 2 1 241.310 -0.102 20 0 BBADMP CCCN(CC(N)=O)C[C@@H](O)C[N@@H+](C)CC ZINC000578518651 366587277 /nfs/dbraw/zinc/58/72/77/366587277.db2.gz CGADNEGXFSFEQT-JTQLQIEISA-N 2 1 231.340 -0.504 20 0 BBADMP CCCN(CC(N)=O)C[C@H](O)C[N@@H+](C)CC ZINC000578518652 366587229 /nfs/dbraw/zinc/58/72/29/366587229.db2.gz CGADNEGXFSFEQT-SNVBAGLBSA-N 2 1 231.340 -0.504 20 0 BBADMP CC[N@@H+](C[C@H](O)CN(C)CCOC)[C@@H](C)CO ZINC000578519941 366588268 /nfs/dbraw/zinc/58/82/68/366588268.db2.gz LMOMPCBQCWIEDJ-NWDGAFQWSA-N 2 1 248.367 -0.372 20 0 BBADMP CC[N@@H+](C[C@@H](O)CN(C)CCOC)[C@@H](C)CO ZINC000578519942 366587698 /nfs/dbraw/zinc/58/76/98/366587698.db2.gz LMOMPCBQCWIEDJ-RYUDHWBXSA-N 2 1 248.367 -0.372 20 0 BBADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCCF)CCN2C1=O ZINC000578523424 366590758 /nfs/dbraw/zinc/59/07/58/366590758.db2.gz CDAGPOCVVMRKDZ-BDAKNGLRSA-N 2 1 215.272 -0.410 20 0 BBADMP [NH3+][C@H]1C[C@@H]2C[N@H+](CCCF)CCN2C1=O ZINC000578523424 366590749 /nfs/dbraw/zinc/59/07/49/366590749.db2.gz CDAGPOCVVMRKDZ-BDAKNGLRSA-N 2 1 215.272 -0.410 20 0 BBADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCCF)CCN2C1=O ZINC000578523425 366591218 /nfs/dbraw/zinc/59/12/18/366591218.db2.gz CDAGPOCVVMRKDZ-DTWKUNHWSA-N 2 1 215.272 -0.410 20 0 BBADMP [NH3+][C@@H]1C[C@H]2C[N@H+](CCCF)CCN2C1=O ZINC000578523425 366591215 /nfs/dbraw/zinc/59/12/15/366591215.db2.gz CDAGPOCVVMRKDZ-DTWKUNHWSA-N 2 1 215.272 -0.410 20 0 BBADMP [NH3+][C@H]1C[C@H]2C[N@@H+](CCCF)CCN2C1=O ZINC000578523426 366585672 /nfs/dbraw/zinc/58/56/72/366585672.db2.gz CDAGPOCVVMRKDZ-IUCAKERBSA-N 2 1 215.272 -0.410 20 0 BBADMP [NH3+][C@H]1C[C@H]2C[N@H+](CCCF)CCN2C1=O ZINC000578523426 366585670 /nfs/dbraw/zinc/58/56/70/366585670.db2.gz CDAGPOCVVMRKDZ-IUCAKERBSA-N 2 1 215.272 -0.410 20 0 BBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCCF)CCN2C1=O ZINC000578523427 366585689 /nfs/dbraw/zinc/58/56/89/366585689.db2.gz CDAGPOCVVMRKDZ-RKDXNWHRSA-N 2 1 215.272 -0.410 20 0 BBADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCCF)CCN2C1=O ZINC000578523427 366585687 /nfs/dbraw/zinc/58/56/87/366585687.db2.gz CDAGPOCVVMRKDZ-RKDXNWHRSA-N 2 1 215.272 -0.410 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000578535061 366594257 /nfs/dbraw/zinc/59/42/57/366594257.db2.gz AMZGOGDUKCFLCU-FOGDFJRCSA-N 2 1 223.320 -0.051 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000578535062 366594099 /nfs/dbraw/zinc/59/40/99/366594099.db2.gz AMZGOGDUKCFLCU-SCVCMEIPSA-N 2 1 223.320 -0.051 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000578625707 366611609 /nfs/dbraw/zinc/61/16/09/366611609.db2.gz HMNYHHVBLPTAFC-LLVKDONJSA-N 2 1 243.351 -0.179 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000578625708 366611074 /nfs/dbraw/zinc/61/10/74/366611074.db2.gz HMNYHHVBLPTAFC-NSHDSACASA-N 2 1 243.351 -0.179 20 0 BBADMP C[C@@H](O)[C@@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000578641224 366616787 /nfs/dbraw/zinc/61/67/87/366616787.db2.gz RNGQPZOCCXGECY-GHMZBOCLSA-N 2 1 243.351 -0.491 20 0 BBADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@H](C)O ZINC000578641225 366616778 /nfs/dbraw/zinc/61/67/78/366616778.db2.gz RNGQPZOCCXGECY-MNOVXSKESA-N 2 1 243.351 -0.491 20 0 BBADMP C[C@H](O)[C@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000578641226 366616722 /nfs/dbraw/zinc/61/67/22/366616722.db2.gz RNGQPZOCCXGECY-QWRGUYRKSA-N 2 1 243.351 -0.491 20 0 BBADMP C[C@@H](O)[C@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000578641227 366616762 /nfs/dbraw/zinc/61/67/62/366616762.db2.gz RNGQPZOCCXGECY-WDEREUQCSA-N 2 1 243.351 -0.491 20 0 BBADMP CC[C@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000578760190 366641098 /nfs/dbraw/zinc/64/10/98/366641098.db2.gz YXLWKDLMJGFDCI-NSHDSACASA-N 2 1 243.351 -0.489 20 0 BBADMP C[C@@H](CC[NH3+])NC(=O)CC(F)(F)C[NH3+] ZINC000578877935 366664683 /nfs/dbraw/zinc/66/46/83/366664683.db2.gz MOYIUNXYYKOJRY-LURJTMIESA-N 2 1 209.240 -0.176 20 0 BBADMP C[C@H](CC[NH3+])NC(=O)CC(F)(F)C[NH3+] ZINC000578877937 366664339 /nfs/dbraw/zinc/66/43/39/366664339.db2.gz MOYIUNXYYKOJRY-ZCFIWIBFSA-N 2 1 209.240 -0.176 20 0 BBADMP COC[C@H]1C[N@@H+](CCOCC[NH3+])C[C@@H](C)O1 ZINC000578893008 366669973 /nfs/dbraw/zinc/66/99/73/366669973.db2.gz NLXMDKVOSKPZLK-GHMZBOCLSA-N 2 1 232.324 -0.303 20 0 BBADMP COC[C@H]1C[N@H+](CCOCC[NH3+])C[C@@H](C)O1 ZINC000578893008 366669970 /nfs/dbraw/zinc/66/99/70/366669970.db2.gz NLXMDKVOSKPZLK-GHMZBOCLSA-N 2 1 232.324 -0.303 20 0 BBADMP COC[C@@H]1C[N@@H+](CCOCC[NH3+])C[C@@H](C)O1 ZINC000578893009 366670289 /nfs/dbraw/zinc/67/02/89/366670289.db2.gz NLXMDKVOSKPZLK-MNOVXSKESA-N 2 1 232.324 -0.303 20 0 BBADMP COC[C@@H]1C[N@H+](CCOCC[NH3+])C[C@@H](C)O1 ZINC000578893009 366670283 /nfs/dbraw/zinc/67/02/83/366670283.db2.gz NLXMDKVOSKPZLK-MNOVXSKESA-N 2 1 232.324 -0.303 20 0 BBADMP COC[C@@H]1C[N@@H+](CCOCC[NH3+])C[C@H](C)O1 ZINC000578893010 366664934 /nfs/dbraw/zinc/66/49/34/366664934.db2.gz NLXMDKVOSKPZLK-QWRGUYRKSA-N 2 1 232.324 -0.303 20 0 BBADMP COC[C@@H]1C[N@H+](CCOCC[NH3+])C[C@H](C)O1 ZINC000578893010 366664929 /nfs/dbraw/zinc/66/49/29/366664929.db2.gz NLXMDKVOSKPZLK-QWRGUYRKSA-N 2 1 232.324 -0.303 20 0 BBADMP COC[C@H]1C[N@@H+](CCOCC[NH3+])C[C@H](C)O1 ZINC000578893011 366664879 /nfs/dbraw/zinc/66/48/79/366664879.db2.gz NLXMDKVOSKPZLK-WDEREUQCSA-N 2 1 232.324 -0.303 20 0 BBADMP COC[C@H]1C[N@H+](CCOCC[NH3+])C[C@H](C)O1 ZINC000578893011 366664871 /nfs/dbraw/zinc/66/48/71/366664871.db2.gz NLXMDKVOSKPZLK-WDEREUQCSA-N 2 1 232.324 -0.303 20 0 BBADMP C[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000578905287 366672081 /nfs/dbraw/zinc/67/20/81/366672081.db2.gz AUAZGTKLDNPMOF-QWRGUYRKSA-N 2 1 243.351 -0.179 20 0 BBADMP C[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000578905288 366672899 /nfs/dbraw/zinc/67/28/99/366672899.db2.gz AUAZGTKLDNPMOF-WDEREUQCSA-N 2 1 243.351 -0.179 20 0 BBADMP CCC[N@@H+](C)CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000579002408 366692444 /nfs/dbraw/zinc/69/24/44/366692444.db2.gz NYYKEDWKOFMBRI-QWRGUYRKSA-N 2 1 243.351 -0.539 20 0 BBADMP O=C(COC1C[NH2+]C1)NCC[N@@H+]1CC=CCC1 ZINC000579107044 366706148 /nfs/dbraw/zinc/70/61/48/366706148.db2.gz ARVNMBFJMCEEER-UHFFFAOYSA-N 2 1 239.319 -0.647 20 0 BBADMP [NH3+][C@H]1C[C@@H](C(=O)NCC[NH+]2CCSCC2)C1 ZINC000579113787 366715131 /nfs/dbraw/zinc/71/51/31/366715131.db2.gz VUHZZEHXLFIYHY-AOOOYVTPSA-N 2 1 243.376 -0.111 20 0 BBADMP [NH3+][C@@H]1CCC[C@@H](NC[C@H]2C[NH2+]CCO2)C1 ZINC000579128824 366720981 /nfs/dbraw/zinc/72/09/81/366720981.db2.gz RSXHFTCSNGNYGD-GMTAPVOTSA-N 2 1 213.325 -0.166 20 0 BBADMP [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2C[NH2+]CCO2)C1 ZINC000579128825 366720113 /nfs/dbraw/zinc/72/01/13/366720113.db2.gz RSXHFTCSNGNYGD-MXWKQRLJSA-N 2 1 213.325 -0.166 20 0 BBADMP [NH3+][C@@H]1CCC[C@H](NC[C@H]2C[NH2+]CCO2)C1 ZINC000579128826 366720763 /nfs/dbraw/zinc/72/07/63/366720763.db2.gz RSXHFTCSNGNYGD-OUAUKWLOSA-N 2 1 213.325 -0.166 20 0 BBADMP [NH3+][C@@H]1CCC[C@H](NC[C@@H]2C[NH2+]CCO2)C1 ZINC000579128827 366720942 /nfs/dbraw/zinc/72/09/42/366720942.db2.gz RSXHFTCSNGNYGD-VWYCJHECSA-N 2 1 213.325 -0.166 20 0 BBADMP [NH3+]CC(F)(F)CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000579137235 366723551 /nfs/dbraw/zinc/72/35/51/366723551.db2.gz SMRTZHVXJANFGS-ZETCQYMHSA-N 2 1 221.251 -0.161 20 0 BBADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](C[C@@H]3CCOC3)CCN2C1=O ZINC000579143358 366724730 /nfs/dbraw/zinc/72/47/30/366724730.db2.gz UAWVZGWJBONOKT-GARJFASQSA-N 2 1 239.319 -0.733 20 0 BBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](C[C@H]3CCOC3)CCN2C1=O ZINC000579143359 366724941 /nfs/dbraw/zinc/72/49/41/366724941.db2.gz UAWVZGWJBONOKT-GMTAPVOTSA-N 2 1 239.319 -0.733 20 0 BBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](C[C@@H]3CCOC3)CCN2C1=O ZINC000579143360 366724142 /nfs/dbraw/zinc/72/41/42/366724142.db2.gz UAWVZGWJBONOKT-HBNTYKKESA-N 2 1 239.319 -0.733 20 0 BBADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](C[C@H]3CCOC3)CCN2C1=O ZINC000579143361 366724628 /nfs/dbraw/zinc/72/46/28/366724628.db2.gz UAWVZGWJBONOKT-OUAUKWLOSA-N 2 1 239.319 -0.733 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C[C@H](O)CO)C(C)C ZINC000579248426 366746769 /nfs/dbraw/zinc/74/67/69/366746769.db2.gz WUDYNUWNSDSGTI-NEPJUHHUSA-N 2 1 248.367 -0.637 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@H+](C[C@H](O)CO)C(C)C ZINC000579248426 366746762 /nfs/dbraw/zinc/74/67/62/366746762.db2.gz WUDYNUWNSDSGTI-NEPJUHHUSA-N 2 1 248.367 -0.637 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C[C@H](O)CO)C(C)C ZINC000579248426 366746752 /nfs/dbraw/zinc/74/67/52/366746752.db2.gz WUDYNUWNSDSGTI-NEPJUHHUSA-N 2 1 248.367 -0.637 20 0 BBADMP CC[N@H+](C)C[C@@H](O)C[NH+](C[C@H](O)CO)C(C)C ZINC000579248426 366746747 /nfs/dbraw/zinc/74/67/47/366746747.db2.gz WUDYNUWNSDSGTI-NEPJUHHUSA-N 2 1 248.367 -0.637 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+](C[C@@H](O)CO)C(C)C ZINC000579248460 366746840 /nfs/dbraw/zinc/74/68/40/366746840.db2.gz WUDYNUWNSDSGTI-NWDGAFQWSA-N 2 1 248.367 -0.637 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+](C[C@@H](O)CO)C(C)C ZINC000579248460 366746834 /nfs/dbraw/zinc/74/68/34/366746834.db2.gz WUDYNUWNSDSGTI-NWDGAFQWSA-N 2 1 248.367 -0.637 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+](C[C@@H](O)CO)C(C)C ZINC000579248460 366746828 /nfs/dbraw/zinc/74/68/28/366746828.db2.gz WUDYNUWNSDSGTI-NWDGAFQWSA-N 2 1 248.367 -0.637 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+](C[C@@H](O)CO)C(C)C ZINC000579248460 366746820 /nfs/dbraw/zinc/74/68/20/366746820.db2.gz WUDYNUWNSDSGTI-NWDGAFQWSA-N 2 1 248.367 -0.637 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+](C[C@H](O)CO)C(C)C ZINC000579248461 366746323 /nfs/dbraw/zinc/74/63/23/366746323.db2.gz WUDYNUWNSDSGTI-RYUDHWBXSA-N 2 1 248.367 -0.637 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+](C[C@H](O)CO)C(C)C ZINC000579248461 366746316 /nfs/dbraw/zinc/74/63/16/366746316.db2.gz WUDYNUWNSDSGTI-RYUDHWBXSA-N 2 1 248.367 -0.637 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+](C[C@H](O)CO)C(C)C ZINC000579248461 366746307 /nfs/dbraw/zinc/74/63/07/366746307.db2.gz WUDYNUWNSDSGTI-RYUDHWBXSA-N 2 1 248.367 -0.637 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+](C[C@H](O)CO)C(C)C ZINC000579248461 366746301 /nfs/dbraw/zinc/74/63/01/366746301.db2.gz WUDYNUWNSDSGTI-RYUDHWBXSA-N 2 1 248.367 -0.637 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C[C@@H](O)CO)C(C)C ZINC000579248463 366746446 /nfs/dbraw/zinc/74/64/46/366746446.db2.gz WUDYNUWNSDSGTI-VXGBXAGGSA-N 2 1 248.367 -0.637 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@H+](C[C@@H](O)CO)C(C)C ZINC000579248463 366746437 /nfs/dbraw/zinc/74/64/37/366746437.db2.gz WUDYNUWNSDSGTI-VXGBXAGGSA-N 2 1 248.367 -0.637 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C[C@@H](O)CO)C(C)C ZINC000579248463 366746427 /nfs/dbraw/zinc/74/64/27/366746427.db2.gz WUDYNUWNSDSGTI-VXGBXAGGSA-N 2 1 248.367 -0.637 20 0 BBADMP CC[N@H+](C)C[C@@H](O)C[NH+](C[C@@H](O)CO)C(C)C ZINC000579248463 366746424 /nfs/dbraw/zinc/74/64/24/366746424.db2.gz WUDYNUWNSDSGTI-VXGBXAGGSA-N 2 1 248.367 -0.637 20 0 BBADMP C[NH2+][C@@H](C)C(=O)NCC[N@@H+](C)CCCOC ZINC000579251921 366748204 /nfs/dbraw/zinc/74/82/04/366748204.db2.gz NJPCYJJVWCKINQ-JTQLQIEISA-N 2 1 231.340 -0.321 20 0 BBADMP CCN(C)C[C@@H](O)C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000579254375 366748800 /nfs/dbraw/zinc/74/88/00/366748800.db2.gz HUYRCUAJDOFZJK-GHMZBOCLSA-N 2 1 228.336 -0.244 20 0 BBADMP CCN(C)C[C@@H](O)C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000579254375 366748794 /nfs/dbraw/zinc/74/87/94/366748794.db2.gz HUYRCUAJDOFZJK-GHMZBOCLSA-N 2 1 228.336 -0.244 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)CN1C[C@@H](O)C2(CC2)C1 ZINC000579254375 366748784 /nfs/dbraw/zinc/74/87/84/366748784.db2.gz HUYRCUAJDOFZJK-GHMZBOCLSA-N 2 1 228.336 -0.244 20 0 BBADMP CCN(C)C[C@@H](O)C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000579254376 366748399 /nfs/dbraw/zinc/74/83/99/366748399.db2.gz HUYRCUAJDOFZJK-MNOVXSKESA-N 2 1 228.336 -0.244 20 0 BBADMP CCN(C)C[C@@H](O)C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000579254376 366748392 /nfs/dbraw/zinc/74/83/92/366748392.db2.gz HUYRCUAJDOFZJK-MNOVXSKESA-N 2 1 228.336 -0.244 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)CN1C[C@H](O)C2(CC2)C1 ZINC000579254376 366748386 /nfs/dbraw/zinc/74/83/86/366748386.db2.gz HUYRCUAJDOFZJK-MNOVXSKESA-N 2 1 228.336 -0.244 20 0 BBADMP CCN(C)C[C@H](O)C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000579254377 366748123 /nfs/dbraw/zinc/74/81/23/366748123.db2.gz HUYRCUAJDOFZJK-QWRGUYRKSA-N 2 1 228.336 -0.244 20 0 BBADMP CCN(C)C[C@H](O)C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000579254377 366748117 /nfs/dbraw/zinc/74/81/17/366748117.db2.gz HUYRCUAJDOFZJK-QWRGUYRKSA-N 2 1 228.336 -0.244 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1C[C@H](O)C2(CC2)C1 ZINC000579254377 366748114 /nfs/dbraw/zinc/74/81/14/366748114.db2.gz HUYRCUAJDOFZJK-QWRGUYRKSA-N 2 1 228.336 -0.244 20 0 BBADMP CCN(C)C[C@H](O)C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000579254378 366748351 /nfs/dbraw/zinc/74/83/51/366748351.db2.gz HUYRCUAJDOFZJK-WDEREUQCSA-N 2 1 228.336 -0.244 20 0 BBADMP CCN(C)C[C@H](O)C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000579254378 366748347 /nfs/dbraw/zinc/74/83/47/366748347.db2.gz HUYRCUAJDOFZJK-WDEREUQCSA-N 2 1 228.336 -0.244 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1C[C@@H](O)C2(CC2)C1 ZINC000579254378 366748341 /nfs/dbraw/zinc/74/83/41/366748341.db2.gz HUYRCUAJDOFZJK-WDEREUQCSA-N 2 1 228.336 -0.244 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000579254573 366747986 /nfs/dbraw/zinc/74/79/86/366747986.db2.gz OAPFMFHJAVWZIO-CMPLNLGQSA-N 2 1 243.351 -0.504 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000579254573 366747981 /nfs/dbraw/zinc/74/79/81/366747981.db2.gz OAPFMFHJAVWZIO-CMPLNLGQSA-N 2 1 243.351 -0.504 20 0 BBADMP CCN(C)C[C@H](O)C[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000579254573 366747970 /nfs/dbraw/zinc/74/79/70/366747970.db2.gz OAPFMFHJAVWZIO-CMPLNLGQSA-N 2 1 243.351 -0.504 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000579254574 366750429 /nfs/dbraw/zinc/75/04/29/366750429.db2.gz OAPFMFHJAVWZIO-JQWIXIFHSA-N 2 1 243.351 -0.504 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000579254574 366750426 /nfs/dbraw/zinc/75/04/26/366750426.db2.gz OAPFMFHJAVWZIO-JQWIXIFHSA-N 2 1 243.351 -0.504 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(C(N)=O)C1 ZINC000579254574 366750422 /nfs/dbraw/zinc/75/04/22/366750422.db2.gz OAPFMFHJAVWZIO-JQWIXIFHSA-N 2 1 243.351 -0.504 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(C(N)=O)C1 ZINC000579254574 366750420 /nfs/dbraw/zinc/75/04/20/366750420.db2.gz OAPFMFHJAVWZIO-JQWIXIFHSA-N 2 1 243.351 -0.504 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000579254575 344949001 /nfs/dbraw/zinc/94/90/01/344949001.db2.gz OAPFMFHJAVWZIO-PWSUYJOCSA-N 2 1 243.351 -0.504 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000579254575 344949000 /nfs/dbraw/zinc/94/90/00/344949000.db2.gz OAPFMFHJAVWZIO-PWSUYJOCSA-N 2 1 243.351 -0.504 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(C(N)=O)C1 ZINC000579254575 344948999 /nfs/dbraw/zinc/94/89/99/344948999.db2.gz OAPFMFHJAVWZIO-PWSUYJOCSA-N 2 1 243.351 -0.504 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000579254576 344948939 /nfs/dbraw/zinc/94/89/39/344948939.db2.gz OAPFMFHJAVWZIO-ZYHUDNBSSA-N 2 1 243.351 -0.504 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000579254576 344948938 /nfs/dbraw/zinc/94/89/38/344948938.db2.gz OAPFMFHJAVWZIO-ZYHUDNBSSA-N 2 1 243.351 -0.504 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(C(N)=O)C1 ZINC000579254576 344948937 /nfs/dbraw/zinc/94/89/37/344948937.db2.gz OAPFMFHJAVWZIO-ZYHUDNBSSA-N 2 1 243.351 -0.504 20 0 BBADMP CC[NH2+]CCNC(=O)[C@@H]([NH2+]C)c1cnn(C)c1 ZINC000579352043 366767264 /nfs/dbraw/zinc/76/72/64/366767264.db2.gz LFPKACCXKWZBLG-JTQLQIEISA-N 2 1 239.323 -0.594 20 0 BBADMP CC[NH2+]CCNC(=O)[C@H]([NH2+]C)c1cnn(C)c1 ZINC000579352045 366767585 /nfs/dbraw/zinc/76/75/85/366767585.db2.gz LFPKACCXKWZBLG-SNVBAGLBSA-N 2 1 239.323 -0.594 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000579353008 366767435 /nfs/dbraw/zinc/76/74/35/366767435.db2.gz PKUFJYHJCUMVBS-LLVKDONJSA-N 2 1 242.367 -0.654 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000579353010 366766768 /nfs/dbraw/zinc/76/67/68/366766768.db2.gz PKUFJYHJCUMVBS-NSHDSACASA-N 2 1 242.367 -0.654 20 0 BBADMP [NH3+]CCCN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000579353931 366768230 /nfs/dbraw/zinc/76/82/30/366768230.db2.gz MNRDXMYKXHAAPJ-LLVKDONJSA-N 2 1 242.367 -0.345 20 0 BBADMP [NH3+]CCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000579353931 366768229 /nfs/dbraw/zinc/76/82/29/366768229.db2.gz MNRDXMYKXHAAPJ-LLVKDONJSA-N 3 1 242.367 -0.345 20 0 BBADMP [NH3+]CCCN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000579353934 366765467 /nfs/dbraw/zinc/76/54/67/366765467.db2.gz MNRDXMYKXHAAPJ-NSHDSACASA-N 2 1 242.367 -0.345 20 0 BBADMP [NH3+]CCC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000579353934 366765463 /nfs/dbraw/zinc/76/54/63/366765463.db2.gz MNRDXMYKXHAAPJ-NSHDSACASA-N 3 1 242.367 -0.345 20 0 BBADMP [NH3+]CC(F)(F)CC(=O)NC1CC[NH2+]CC1 ZINC000579487937 366829157 /nfs/dbraw/zinc/82/91/57/366829157.db2.gz RFTASLNCEGPQHS-UHFFFAOYSA-N 2 1 221.251 -0.161 20 0 BBADMP C[N@H+]1CC[C@@H]2CN(C(=O)N[C@H]3CC[NH2+]C3)C[C@@H]21 ZINC000579614627 366910611 /nfs/dbraw/zinc/91/06/11/366910611.db2.gz IXWZZAROEWGVTQ-VWYCJHECSA-N 2 1 238.335 -0.306 20 0 BBADMP C[N@@H+](CCOCC[NH3+])C1(C(N)=O)CCCC1 ZINC000579714726 366989331 /nfs/dbraw/zinc/98/93/31/366989331.db2.gz QOKVEMAZNASQSF-UHFFFAOYSA-N 2 1 229.324 -0.308 20 0 BBADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000579716962 366990582 /nfs/dbraw/zinc/99/05/82/366990582.db2.gz WPQQKDRMCBCIFJ-BBBLOLIVSA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000579716962 366990577 /nfs/dbraw/zinc/99/05/77/366990577.db2.gz WPQQKDRMCBCIFJ-BBBLOLIVSA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000579716963 366990813 /nfs/dbraw/zinc/99/08/13/366990813.db2.gz WPQQKDRMCBCIFJ-LPEHRKFASA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000579716963 366990807 /nfs/dbraw/zinc/99/08/07/366990807.db2.gz WPQQKDRMCBCIFJ-LPEHRKFASA-N 2 1 211.309 -0.114 20 0 BBADMP CC[NH2+]CCNC(=O)CC(F)(F)C[NH3+] ZINC000579725489 366993736 /nfs/dbraw/zinc/99/37/36/366993736.db2.gz BHZIZSALLYXPEY-UHFFFAOYSA-N 2 1 209.240 -0.304 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)CN(C)CCNC(C)=O ZINC000579728116 366994768 /nfs/dbraw/zinc/99/47/68/366994768.db2.gz CVGPDTAPNGFDHW-LLVKDONJSA-N 2 1 231.340 -0.633 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN(C)CCNC(C)=O ZINC000579728118 366995279 /nfs/dbraw/zinc/99/52/79/366995279.db2.gz CVGPDTAPNGFDHW-NSHDSACASA-N 2 1 231.340 -0.633 20 0 BBADMP [NH3+][C@H]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000579835006 367039583 /nfs/dbraw/zinc/03/95/83/367039583.db2.gz SHMVAWFKIGVOCO-SDDRHHMPSA-N 2 1 225.336 -0.117 20 0 BBADMP [NH3+][C@H]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000579835006 367039575 /nfs/dbraw/zinc/03/95/75/367039575.db2.gz SHMVAWFKIGVOCO-SDDRHHMPSA-N 2 1 225.336 -0.117 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@](C)(CCO)COC ZINC000579849005 367048619 /nfs/dbraw/zinc/04/86/19/367048619.db2.gz DRTRHWDZGHKQPG-NEPJUHHUSA-N 2 1 248.367 -0.324 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@](C)(CCO)COC ZINC000579849005 367048613 /nfs/dbraw/zinc/04/86/13/367048613.db2.gz DRTRHWDZGHKQPG-NEPJUHHUSA-N 2 1 248.367 -0.324 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@](C)(CCO)COC ZINC000579849006 367048156 /nfs/dbraw/zinc/04/81/56/367048156.db2.gz DRTRHWDZGHKQPG-NWDGAFQWSA-N 2 1 248.367 -0.324 20 0 BBADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@](C)(CCO)COC ZINC000579849006 367048153 /nfs/dbraw/zinc/04/81/53/367048153.db2.gz DRTRHWDZGHKQPG-NWDGAFQWSA-N 2 1 248.367 -0.324 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@](C)(CCO)COC ZINC000579849007 367049003 /nfs/dbraw/zinc/04/90/03/367049003.db2.gz DRTRHWDZGHKQPG-RYUDHWBXSA-N 2 1 248.367 -0.324 20 0 BBADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@](C)(CCO)COC ZINC000579849007 367049001 /nfs/dbraw/zinc/04/90/01/367049001.db2.gz DRTRHWDZGHKQPG-RYUDHWBXSA-N 2 1 248.367 -0.324 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@](C)(CCO)COC ZINC000579849008 367048678 /nfs/dbraw/zinc/04/86/78/367048678.db2.gz DRTRHWDZGHKQPG-VXGBXAGGSA-N 2 1 248.367 -0.324 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@](C)(CCO)COC ZINC000579849008 367048673 /nfs/dbraw/zinc/04/86/73/367048673.db2.gz DRTRHWDZGHKQPG-VXGBXAGGSA-N 2 1 248.367 -0.324 20 0 BBADMP C[NH2+]C[C@@H](C)C(=O)NCC[N@H+]1CCCOCC1 ZINC000580072103 346511730 /nfs/dbraw/zinc/51/17/30/346511730.db2.gz MIMWOVXSFAWGRF-LLVKDONJSA-N 2 1 243.351 -0.320 20 0 BBADMP C[NH2+]C[C@H](C)C(=O)NCC[N@H+]1CCCOCC1 ZINC000580072104 346511908 /nfs/dbraw/zinc/51/19/08/346511908.db2.gz MIMWOVXSFAWGRF-NSHDSACASA-N 2 1 243.351 -0.320 20 0 BBADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCC[C@H]1O)C1CC1 ZINC000580074678 346511023 /nfs/dbraw/zinc/51/10/23/346511023.db2.gz DJZXTAWNUHSTAQ-QJPTWQEYSA-N 2 1 228.336 -0.056 20 0 BBADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCC[C@H]1O)C1CC1 ZINC000580074678 346511022 /nfs/dbraw/zinc/51/10/22/346511022.db2.gz DJZXTAWNUHSTAQ-QJPTWQEYSA-N 2 1 228.336 -0.056 20 0 BBADMP C[C@H]1C[NH2+]CCN1C(=O)CC(F)(F)C[NH3+] ZINC000580206361 346667488 /nfs/dbraw/zinc/66/74/88/346667488.db2.gz BGJPUAAQZSCZCY-ZETCQYMHSA-N 2 1 221.251 -0.209 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000580565617 365785112 /nfs/dbraw/zinc/78/51/12/365785112.db2.gz GESKJLLSGIQISQ-GHMZBOCLSA-N 2 1 245.367 -0.387 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H](C)C(=O)NC ZINC000580565617 365785109 /nfs/dbraw/zinc/78/51/09/365785109.db2.gz GESKJLLSGIQISQ-GHMZBOCLSA-N 2 1 245.367 -0.387 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H](C)C(=O)NC ZINC000580565617 365785103 /nfs/dbraw/zinc/78/51/03/365785103.db2.gz GESKJLLSGIQISQ-GHMZBOCLSA-N 2 1 245.367 -0.387 20 0 BBADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@@H](C)C(=O)NC ZINC000580565617 365785097 /nfs/dbraw/zinc/78/50/97/365785097.db2.gz GESKJLLSGIQISQ-GHMZBOCLSA-N 2 1 245.367 -0.387 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000580565618 365784182 /nfs/dbraw/zinc/78/41/82/365784182.db2.gz GESKJLLSGIQISQ-MNOVXSKESA-N 2 1 245.367 -0.387 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H](C)C(=O)NC ZINC000580565618 365784177 /nfs/dbraw/zinc/78/41/77/365784177.db2.gz GESKJLLSGIQISQ-MNOVXSKESA-N 2 1 245.367 -0.387 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H](C)C(=O)NC ZINC000580565618 365784172 /nfs/dbraw/zinc/78/41/72/365784172.db2.gz GESKJLLSGIQISQ-MNOVXSKESA-N 2 1 245.367 -0.387 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H](C)C(=O)NC ZINC000580565618 365784166 /nfs/dbraw/zinc/78/41/66/365784166.db2.gz GESKJLLSGIQISQ-MNOVXSKESA-N 2 1 245.367 -0.387 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H](C)C(=O)NC ZINC000580565619 365784536 /nfs/dbraw/zinc/78/45/36/365784536.db2.gz GESKJLLSGIQISQ-QWRGUYRKSA-N 2 1 245.367 -0.387 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H](C)C(=O)NC ZINC000580565619 365784530 /nfs/dbraw/zinc/78/45/30/365784530.db2.gz GESKJLLSGIQISQ-QWRGUYRKSA-N 2 1 245.367 -0.387 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H](C)C(=O)NC ZINC000580565619 365784525 /nfs/dbraw/zinc/78/45/25/365784525.db2.gz GESKJLLSGIQISQ-QWRGUYRKSA-N 2 1 245.367 -0.387 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H](C)C(=O)NC ZINC000580565619 365784517 /nfs/dbraw/zinc/78/45/17/365784517.db2.gz GESKJLLSGIQISQ-QWRGUYRKSA-N 2 1 245.367 -0.387 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H](C)C(=O)NC ZINC000580565620 365784800 /nfs/dbraw/zinc/78/48/00/365784800.db2.gz GESKJLLSGIQISQ-WDEREUQCSA-N 2 1 245.367 -0.387 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H](C)C(=O)NC ZINC000580565620 365784799 /nfs/dbraw/zinc/78/47/99/365784799.db2.gz GESKJLLSGIQISQ-WDEREUQCSA-N 2 1 245.367 -0.387 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H](C)C(=O)NC ZINC000580565620 365784793 /nfs/dbraw/zinc/78/47/93/365784793.db2.gz GESKJLLSGIQISQ-WDEREUQCSA-N 2 1 245.367 -0.387 20 0 BBADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H](C)C(=O)NC ZINC000580565620 365784785 /nfs/dbraw/zinc/78/47/85/365784785.db2.gz GESKJLLSGIQISQ-WDEREUQCSA-N 2 1 245.367 -0.387 20 0 BBADMP O=C(C[NH2+]C1CC1)NCC[N@H+]1CCCOCC1 ZINC000580831708 367181305 /nfs/dbraw/zinc/18/13/05/367181305.db2.gz DGBCUJUVZFPMLB-UHFFFAOYSA-N 2 1 241.335 -0.423 20 0 BBADMP O=C(C[NH2+]C1CC1)NCC[N@@H+]1CCCOCC1 ZINC000580831708 367181298 /nfs/dbraw/zinc/18/12/98/367181298.db2.gz DGBCUJUVZFPMLB-UHFFFAOYSA-N 2 1 241.335 -0.423 20 0 BBADMP [NH3+]Cc1cc(C(=O)NCC(F)(F)C[NH3+])ccn1 ZINC000580832806 367181198 /nfs/dbraw/zinc/18/11/98/367181198.db2.gz DHXXMZMVIABDJI-UHFFFAOYSA-N 2 1 244.245 -0.136 20 0 BBADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCN1CC[NH2+]CC1 ZINC000580893034 367200639 /nfs/dbraw/zinc/20/06/39/367200639.db2.gz CFLZKERNYNETAM-LLVKDONJSA-N 3 1 228.384 -0.145 20 0 BBADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCN1CC[NH2+]CC1 ZINC000580893036 367200224 /nfs/dbraw/zinc/20/02/24/367200224.db2.gz CFLZKERNYNETAM-NSHDSACASA-N 3 1 228.384 -0.145 20 0 BBADMP c1cc(N[C@H]2CC[NH2+]C2)nc(N2CCOCC2)[nH+]1 ZINC000581199341 411702783 /nfs/dbraw/zinc/70/27/83/411702783.db2.gz DYXPWXAWWYQUGI-JTQLQIEISA-N 2 1 249.318 0.087 20 0 BBADMP [NH3+]CC1(CN2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000581251336 367309193 /nfs/dbraw/zinc/30/91/93/367309193.db2.gz NUMXNDFKGUISTR-GFCCVEGCSA-N 2 1 238.379 -0.295 20 0 BBADMP [NH3+]CC1(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000581251336 367309187 /nfs/dbraw/zinc/30/91/87/367309187.db2.gz NUMXNDFKGUISTR-GFCCVEGCSA-N 3 1 238.379 -0.295 20 0 BBADMP [NH3+]CC1(CN2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000581251337 367309589 /nfs/dbraw/zinc/30/95/89/367309589.db2.gz NUMXNDFKGUISTR-LBPRGKRZSA-N 2 1 238.379 -0.295 20 0 BBADMP [NH3+]CC1(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000581251337 367309587 /nfs/dbraw/zinc/30/95/87/367309587.db2.gz NUMXNDFKGUISTR-LBPRGKRZSA-N 3 1 238.379 -0.295 20 0 BBADMP C[C@H](CC[NH3+])NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000581251873 347346761 /nfs/dbraw/zinc/34/67/61/347346761.db2.gz BTMJTNZYLOYUHB-GHMZBOCLSA-N 2 1 242.367 -0.524 20 0 BBADMP C[C@H](CC[NH3+])NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000581251874 347346645 /nfs/dbraw/zinc/34/66/45/347346645.db2.gz BTMJTNZYLOYUHB-MNOVXSKESA-N 2 1 242.367 -0.524 20 0 BBADMP C[C@@H](CC[NH3+])NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000581251875 347346656 /nfs/dbraw/zinc/34/66/56/347346656.db2.gz BTMJTNZYLOYUHB-QWRGUYRKSA-N 2 1 242.367 -0.524 20 0 BBADMP C[C@H](C(=O)N[C@@H](C)CC[NH3+])N1CC[NH+](C)CC1 ZINC000581251876 347346672 /nfs/dbraw/zinc/34/66/72/347346672.db2.gz BTMJTNZYLOYUHB-WDEREUQCSA-N 2 1 242.367 -0.524 20 0 BBADMP [NH3+]CCCC(=O)NCC[N@H+]1CCCOCC1 ZINC000581309538 367338444 /nfs/dbraw/zinc/33/84/44/367338444.db2.gz ZSNIAHFKDUZUKO-UHFFFAOYSA-N 2 1 229.324 -0.436 20 0 BBADMP O=C(COC1C[NH2+]C1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000581311321 343864114 /nfs/dbraw/zinc/86/41/14/343864114.db2.gz ABTMLEYVMJWZGL-MRVPVSSYSA-N 2 1 249.261 -0.960 20 0 BBADMP O=C(COC1C[NH2+]C1)N1CC[NH2+]C[C@H]1C(F)F ZINC000581311322 343864069 /nfs/dbraw/zinc/86/40/69/343864069.db2.gz ABTMLEYVMJWZGL-QMMMGPOBSA-N 2 1 249.261 -0.960 20 0 BBADMP C[C@@H](C[NH3+])CNC(=O)CC(F)(F)C[NH3+] ZINC000581436421 367469218 /nfs/dbraw/zinc/46/92/18/367469218.db2.gz HQLIPNDRVAMNKG-LURJTMIESA-N 2 1 209.240 -0.319 20 0 BBADMP C[C@H](C[NH3+])CNC(=O)CC(F)(F)C[NH3+] ZINC000581436422 367469466 /nfs/dbraw/zinc/46/94/66/367469466.db2.gz HQLIPNDRVAMNKG-ZCFIWIBFSA-N 2 1 209.240 -0.319 20 0 BBADMP O=C(C[NH2+]C1CC1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000581483423 367514820 /nfs/dbraw/zinc/51/48/20/367514820.db2.gz LQLWDTIIKGFXNJ-MRVPVSSYSA-N 2 1 233.262 -0.196 20 0 BBADMP O=C(C[NH2+]C1CC1)N1CC[NH2+]C[C@H]1C(F)F ZINC000581483424 367514945 /nfs/dbraw/zinc/51/49/45/367514945.db2.gz LQLWDTIIKGFXNJ-QMMMGPOBSA-N 2 1 233.262 -0.196 20 0 BBADMP C[NH+]1CCN(C(=O)CC[NH2+]CC(C)(C)O)CC1 ZINC000581603059 367627539 /nfs/dbraw/zinc/62/75/39/367627539.db2.gz IYIBQMICKNVXCD-UHFFFAOYSA-N 2 1 243.351 -0.489 20 0 BBADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1C[C@@H](O)C1)C1CC1 ZINC000581726536 367790541 /nfs/dbraw/zinc/79/05/41/367790541.db2.gz RAWGGXATXXGTHE-DVVUODLYSA-N 2 1 214.309 -0.446 20 0 BBADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1C[C@@H](O)C1)C1CC1 ZINC000581726536 367790539 /nfs/dbraw/zinc/79/05/39/367790539.db2.gz RAWGGXATXXGTHE-DVVUODLYSA-N 2 1 214.309 -0.446 20 0 BBADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1C[C@@H](O)C1)C1CC1 ZINC000581726537 367790569 /nfs/dbraw/zinc/79/05/69/367790569.db2.gz RAWGGXATXXGTHE-GDPRMGEGSA-N 2 1 214.309 -0.446 20 0 BBADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1C[C@@H](O)C1)C1CC1 ZINC000581726537 367790565 /nfs/dbraw/zinc/79/05/65/367790565.db2.gz RAWGGXATXXGTHE-GDPRMGEGSA-N 2 1 214.309 -0.446 20 0 BBADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000581824426 367832706 /nfs/dbraw/zinc/83/27/06/367832706.db2.gz KFGJTBBKCDZKAC-CHWSQXEVSA-N 2 1 238.331 -0.240 20 0 BBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000581824427 367832361 /nfs/dbraw/zinc/83/23/61/367832361.db2.gz KFGJTBBKCDZKAC-OLZOCXBDSA-N 2 1 238.331 -0.240 20 0 BBADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000581824428 367832374 /nfs/dbraw/zinc/83/23/74/367832374.db2.gz KFGJTBBKCDZKAC-QWHCGFSZSA-N 2 1 238.331 -0.240 20 0 BBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000581824429 367832117 /nfs/dbraw/zinc/83/21/17/367832117.db2.gz KFGJTBBKCDZKAC-STQMWFEESA-N 2 1 238.331 -0.240 20 0 BBADMP OC[C@H]1CC[N@@H+](CCCn2ccnc2)C[C@@H]1O ZINC000581860946 342838825 /nfs/dbraw/zinc/83/88/25/342838825.db2.gz YBFWXGLOHPCNQC-NEPJUHHUSA-N 2 1 239.319 -0.052 20 0 BBADMP [NH3+]CCCCNC(=O)CC(F)(F)C[NH3+] ZINC000582010105 368149534 /nfs/dbraw/zinc/14/95/34/368149534.db2.gz DOWIAYLEUBBTQJ-UHFFFAOYSA-N 2 1 209.240 -0.174 20 0 BBADMP CO[C@@H](C[NH3+])CC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000582125225 344734587 /nfs/dbraw/zinc/73/45/87/344734587.db2.gz KHWMFEVUIQKWKC-GHMZBOCLSA-N 2 1 243.351 -0.192 20 0 BBADMP CO[C@H](C[NH3+])CC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000582125226 344734598 /nfs/dbraw/zinc/73/45/98/344734598.db2.gz KHWMFEVUIQKWKC-MNOVXSKESA-N 2 1 243.351 -0.192 20 0 BBADMP CO[C@H](C[NH3+])CC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000582125227 344734461 /nfs/dbraw/zinc/73/44/61/344734461.db2.gz KHWMFEVUIQKWKC-QWRGUYRKSA-N 2 1 243.351 -0.192 20 0 BBADMP CO[C@@H](C[NH3+])CC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000582125228 344734676 /nfs/dbraw/zinc/73/46/76/344734676.db2.gz KHWMFEVUIQKWKC-WDEREUQCSA-N 2 1 243.351 -0.192 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)C2([NH3+])CCC2)C1 ZINC000582238929 356669108 /nfs/dbraw/zinc/66/91/08/356669108.db2.gz AXTIKRPEGIIPAK-JTQLQIEISA-N 2 1 241.335 -0.295 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC(=O)C2([NH3+])CCC2)C1 ZINC000582238930 356668667 /nfs/dbraw/zinc/66/86/67/356668667.db2.gz AXTIKRPEGIIPAK-SNVBAGLBSA-N 2 1 241.335 -0.295 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000582303964 357041827 /nfs/dbraw/zinc/04/18/27/357041827.db2.gz VIZZBQLTXDVSTM-AXFHLTTASA-N 2 1 241.335 -0.439 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000582303965 357041447 /nfs/dbraw/zinc/04/14/47/357041447.db2.gz VIZZBQLTXDVSTM-OUAUKWLOSA-N 2 1 241.335 -0.439 20 0 BBADMP CCN(C)C[C@H](O)C[N@@H+](C)C1(CO)CC1 ZINC000582368368 357109731 /nfs/dbraw/zinc/10/97/31/357109731.db2.gz GQCJEYXBHQVYMB-JTQLQIEISA-N 2 1 216.325 -0.244 20 0 BBADMP CCN(C)C[C@H](O)C[N@H+](C)C1(CO)CC1 ZINC000582368368 357109727 /nfs/dbraw/zinc/10/97/27/357109727.db2.gz GQCJEYXBHQVYMB-JTQLQIEISA-N 2 1 216.325 -0.244 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN(C)C1(CO)CC1 ZINC000582368368 357109722 /nfs/dbraw/zinc/10/97/22/357109722.db2.gz GQCJEYXBHQVYMB-JTQLQIEISA-N 2 1 216.325 -0.244 20 0 BBADMP CCN(C)C[C@@H](O)C[N@@H+](C)C1(CO)CC1 ZINC000582368369 357110193 /nfs/dbraw/zinc/11/01/93/357110193.db2.gz GQCJEYXBHQVYMB-SNVBAGLBSA-N 2 1 216.325 -0.244 20 0 BBADMP CCN(C)C[C@@H](O)C[N@H+](C)C1(CO)CC1 ZINC000582368369 357110192 /nfs/dbraw/zinc/11/01/92/357110192.db2.gz GQCJEYXBHQVYMB-SNVBAGLBSA-N 2 1 216.325 -0.244 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)CN(C)C1(CO)CC1 ZINC000582368369 357110189 /nfs/dbraw/zinc/11/01/89/357110189.db2.gz GQCJEYXBHQVYMB-SNVBAGLBSA-N 2 1 216.325 -0.244 20 0 BBADMP C[N@@H+]1CC=C(CNC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000582371673 357114941 /nfs/dbraw/zinc/11/49/41/357114941.db2.gz HVIFBVDUFFVBNQ-NSHDSACASA-N 2 1 238.335 -0.091 20 0 BBADMP C[C@](C[NH3+])([NH2+]CCN1CC[NH2+]CC1)C1CC1 ZINC000582421272 357144015 /nfs/dbraw/zinc/14/40/15/357144015.db2.gz NWSGKDUKXBUXSR-GFCCVEGCSA-N 3 1 226.368 -0.391 20 0 BBADMP C[C@@](C[NH3+])([NH2+]CCN1CC[NH2+]CC1)C1CC1 ZINC000582421273 357144139 /nfs/dbraw/zinc/14/41/39/357144139.db2.gz NWSGKDUKXBUXSR-LBPRGKRZSA-N 3 1 226.368 -0.391 20 0 BBADMP CC(C)([NH3+])C(=O)NCC[N@H+]1CCCOCC1 ZINC000582604788 357347953 /nfs/dbraw/zinc/34/79/53/357347953.db2.gz FDHCOKFGTQIVOP-UHFFFAOYSA-N 2 1 229.324 -0.438 20 0 BBADMP C[NH2+]C[C@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000582726742 357373234 /nfs/dbraw/zinc/37/32/34/357373234.db2.gz KKFGPQMPFWLUCK-CYBMUJFWSA-N 3 1 240.395 -0.177 20 0 BBADMP C[NH2+]C[C@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000582726742 357373233 /nfs/dbraw/zinc/37/32/33/357373233.db2.gz KKFGPQMPFWLUCK-CYBMUJFWSA-N 3 1 240.395 -0.177 20 0 BBADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000582726743 357373270 /nfs/dbraw/zinc/37/32/70/357373270.db2.gz KKFGPQMPFWLUCK-ZDUSSCGKSA-N 3 1 240.395 -0.177 20 0 BBADMP C[NH2+]C[C@@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000582726743 357373269 /nfs/dbraw/zinc/37/32/69/357373269.db2.gz KKFGPQMPFWLUCK-ZDUSSCGKSA-N 3 1 240.395 -0.177 20 0 BBADMP [NH3+]CCOCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000582786831 357394320 /nfs/dbraw/zinc/39/43/20/357394320.db2.gz KKZZNXZRIOXTPW-UHFFFAOYSA-N 3 1 213.325 -0.210 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000582791422 357396924 /nfs/dbraw/zinc/39/69/24/357396924.db2.gz VKAFTBYYXWJGON-AXFHLTTASA-N 3 1 215.341 -0.374 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000582791422 357396921 /nfs/dbraw/zinc/39/69/21/357396921.db2.gz VKAFTBYYXWJGON-AXFHLTTASA-N 3 1 215.341 -0.374 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000582791423 357396834 /nfs/dbraw/zinc/39/68/34/357396834.db2.gz VKAFTBYYXWJGON-DCAQKATOSA-N 3 1 215.341 -0.374 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000582791423 357396829 /nfs/dbraw/zinc/39/68/29/357396829.db2.gz VKAFTBYYXWJGON-DCAQKATOSA-N 3 1 215.341 -0.374 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000582791424 357396580 /nfs/dbraw/zinc/39/65/80/357396580.db2.gz VKAFTBYYXWJGON-MXWKQRLJSA-N 3 1 215.341 -0.374 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000582791424 357396579 /nfs/dbraw/zinc/39/65/79/357396579.db2.gz VKAFTBYYXWJGON-MXWKQRLJSA-N 3 1 215.341 -0.374 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000582791425 357397962 /nfs/dbraw/zinc/39/79/62/357397962.db2.gz VKAFTBYYXWJGON-VWYCJHECSA-N 3 1 215.341 -0.374 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000582791425 357397956 /nfs/dbraw/zinc/39/79/56/357397956.db2.gz VKAFTBYYXWJGON-VWYCJHECSA-N 3 1 215.341 -0.374 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)[C@H](C)[NH3+])C1 ZINC000582904255 357427443 /nfs/dbraw/zinc/42/74/43/357427443.db2.gz IZWAIBJHRNJMNA-AEJSXWLSSA-N 2 1 229.324 -0.441 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)[C@H](C)[NH3+])C1 ZINC000582904255 357427438 /nfs/dbraw/zinc/42/74/38/357427438.db2.gz IZWAIBJHRNJMNA-AEJSXWLSSA-N 2 1 229.324 -0.441 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)[C@@H](C)[NH3+])C1 ZINC000582904256 357426989 /nfs/dbraw/zinc/42/69/89/357426989.db2.gz IZWAIBJHRNJMNA-BBBLOLIVSA-N 2 1 229.324 -0.441 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)[C@@H](C)[NH3+])C1 ZINC000582904256 357426985 /nfs/dbraw/zinc/42/69/85/357426985.db2.gz IZWAIBJHRNJMNA-BBBLOLIVSA-N 2 1 229.324 -0.441 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)[C@H](C)[NH3+])C1 ZINC000582904257 357427059 /nfs/dbraw/zinc/42/70/59/357427059.db2.gz IZWAIBJHRNJMNA-GUBZILKMSA-N 2 1 229.324 -0.441 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)[C@H](C)[NH3+])C1 ZINC000582904257 357427053 /nfs/dbraw/zinc/42/70/53/357427053.db2.gz IZWAIBJHRNJMNA-GUBZILKMSA-N 2 1 229.324 -0.441 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)[C@@H](C)[NH3+])C1 ZINC000582904258 357427007 /nfs/dbraw/zinc/42/70/07/357427007.db2.gz IZWAIBJHRNJMNA-UTLUCORTSA-N 2 1 229.324 -0.441 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)[C@@H](C)[NH3+])C1 ZINC000582904258 357427003 /nfs/dbraw/zinc/42/70/03/357427003.db2.gz IZWAIBJHRNJMNA-UTLUCORTSA-N 2 1 229.324 -0.441 20 0 BBADMP C[C@@H]([NH3+])CN1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000582905439 357428488 /nfs/dbraw/zinc/42/84/88/357428488.db2.gz PNBYEJQYKLFDON-GHMZBOCLSA-N 2 1 240.351 -0.770 20 0 BBADMP C[C@@H]([NH3+])CN1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000582905440 357428254 /nfs/dbraw/zinc/42/82/54/357428254.db2.gz PNBYEJQYKLFDON-MNOVXSKESA-N 2 1 240.351 -0.770 20 0 BBADMP C[C@H]([NH3+])CN1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000582905441 357428635 /nfs/dbraw/zinc/42/86/35/357428635.db2.gz PNBYEJQYKLFDON-QWRGUYRKSA-N 2 1 240.351 -0.770 20 0 BBADMP C[C@H]([NH3+])CN1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000582905442 357428570 /nfs/dbraw/zinc/42/85/70/357428570.db2.gz PNBYEJQYKLFDON-WDEREUQCSA-N 2 1 240.351 -0.770 20 0 BBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)COC2C[NH2+]C2)C1 ZINC000583083706 357474518 /nfs/dbraw/zinc/47/45/18/357474518.db2.gz BQFFLYHOEBWZKF-LLVKDONJSA-N 2 1 245.298 -0.865 20 0 BBADMP C[C@]1(F)C[NH2+]CCN(C(=O)COC2C[NH2+]C2)C1 ZINC000583083707 357474245 /nfs/dbraw/zinc/47/42/45/357474245.db2.gz BQFFLYHOEBWZKF-NSHDSACASA-N 2 1 245.298 -0.865 20 0 BBADMP C[C@@]1(CNCCN2CC[NH2+]CC2)CC[NH2+]C1 ZINC000583143555 357494127 /nfs/dbraw/zinc/49/41/27/357494127.db2.gz PVVUMBBCNPXHPC-GFCCVEGCSA-N 2 1 226.368 -0.519 20 0 BBADMP C[C@]1(CNCCN2CC[NH2+]CC2)CC[NH2+]C1 ZINC000583143556 357494091 /nfs/dbraw/zinc/49/40/91/357494091.db2.gz PVVUMBBCNPXHPC-LBPRGKRZSA-N 2 1 226.368 -0.519 20 0 BBADMP CC(=O)N1CC(N[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000583153756 357496214 /nfs/dbraw/zinc/49/62/14/357496214.db2.gz RUWOGAODHPTYKT-GZMMTYOYSA-N 2 1 211.309 -0.243 20 0 BBADMP CC(=O)N1CC(N[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000583153759 357496728 /nfs/dbraw/zinc/49/67/28/357496728.db2.gz RUWOGAODHPTYKT-KCJUWKMLSA-N 2 1 211.309 -0.243 20 0 BBADMP CC(=O)N1CC(N[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000583153760 357496100 /nfs/dbraw/zinc/49/61/00/357496100.db2.gz RUWOGAODHPTYKT-KWQFWETISA-N 2 1 211.309 -0.243 20 0 BBADMP CC(=O)N1CC(N[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000583153761 357496586 /nfs/dbraw/zinc/49/65/86/357496586.db2.gz RUWOGAODHPTYKT-LDYMZIIASA-N 2 1 211.309 -0.243 20 0 BBADMP C[NH2+][C@@H](C)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000583213246 357557725 /nfs/dbraw/zinc/55/77/25/357557725.db2.gz BBWOPYXNDKKMFP-QMMMGPOBSA-N 2 1 239.323 -0.290 20 0 BBADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC000583317491 357900379 /nfs/dbraw/zinc/90/03/79/357900379.db2.gz KWDLFLVTKMNEPM-NNYUYHANSA-N 2 1 226.320 -0.324 20 0 BBADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC000583317491 357900376 /nfs/dbraw/zinc/90/03/76/357900376.db2.gz KWDLFLVTKMNEPM-NNYUYHANSA-N 2 1 226.320 -0.324 20 0 BBADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC000583317492 357900465 /nfs/dbraw/zinc/90/04/65/357900465.db2.gz KWDLFLVTKMNEPM-WYUUTHIRSA-N 2 1 226.320 -0.324 20 0 BBADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC000583317492 357900463 /nfs/dbraw/zinc/90/04/63/357900463.db2.gz KWDLFLVTKMNEPM-WYUUTHIRSA-N 2 1 226.320 -0.324 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000583324604 357905436 /nfs/dbraw/zinc/90/54/36/357905436.db2.gz BBGHKBIYZXWMDH-PWSUYJOCSA-N 2 1 241.335 -0.567 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000583333751 342736083 /nfs/dbraw/zinc/73/60/83/342736083.db2.gz AZLNSPQAJRBZJV-LURJTMIESA-N 2 1 222.239 -0.759 20 0 BBADMP CC[N@@H+](C)CCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000583443087 344972311 /nfs/dbraw/zinc/97/23/11/344972311.db2.gz XJTIKNCKUXZHBK-KOLCDFICSA-N 2 1 211.309 -0.194 20 0 BBADMP CN1CC[C@](O)(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000583451348 344999280 /nfs/dbraw/zinc/99/92/80/344999280.db2.gz SCHCVKSSAYURNE-SRVKXCTJSA-N 3 1 227.352 -0.088 20 0 BBADMP C[N@H+]1CC[C@](O)(CN[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000583451348 344999279 /nfs/dbraw/zinc/99/92/79/344999279.db2.gz SCHCVKSSAYURNE-SRVKXCTJSA-N 2 1 227.352 -0.088 20 0 BBADMP CN1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000583451349 344999261 /nfs/dbraw/zinc/99/92/61/344999261.db2.gz SCHCVKSSAYURNE-TUAOUCFPSA-N 3 1 227.352 -0.088 20 0 BBADMP C[N@H+]1CC[C@](O)(CN[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000583451349 344999260 /nfs/dbraw/zinc/99/92/60/344999260.db2.gz SCHCVKSSAYURNE-TUAOUCFPSA-N 2 1 227.352 -0.088 20 0 BBADMP CN1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000583451350 344999148 /nfs/dbraw/zinc/99/91/48/344999148.db2.gz SCHCVKSSAYURNE-UTUOFQBUSA-N 3 1 227.352 -0.088 20 0 BBADMP C[N@H+]1CC[C@](O)(CN[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000583451350 344999145 /nfs/dbraw/zinc/99/91/45/344999145.db2.gz SCHCVKSSAYURNE-UTUOFQBUSA-N 2 1 227.352 -0.088 20 0 BBADMP CN1CC[C@](O)(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000583451351 344999106 /nfs/dbraw/zinc/99/91/06/344999106.db2.gz SCHCVKSSAYURNE-WOPDTQHZSA-N 3 1 227.352 -0.088 20 0 BBADMP C[N@H+]1CC[C@](O)(CN[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000583451351 344999102 /nfs/dbraw/zinc/99/91/02/344999102.db2.gz SCHCVKSSAYURNE-WOPDTQHZSA-N 2 1 227.352 -0.088 20 0 BBADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000583498883 355332384 /nfs/dbraw/zinc/33/23/84/355332384.db2.gz BDTMAEOBKYIWDK-LLVKDONJSA-N 2 1 242.367 -0.652 20 0 BBADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000583498884 355332621 /nfs/dbraw/zinc/33/26/21/355332621.db2.gz BDTMAEOBKYIWDK-NSHDSACASA-N 2 1 242.367 -0.652 20 0 BBADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)C[NH3+])C[C@H](C)O1 ZINC000583565624 355647523 /nfs/dbraw/zinc/64/75/23/355647523.db2.gz GMFGKWXFMHJWLS-AOOOYVTPSA-N 2 1 229.324 -0.487 20 0 BBADMP COCCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000583575757 355657528 /nfs/dbraw/zinc/65/75/28/355657528.db2.gz RMLFNXQOYBUUAQ-NXEZZACHSA-N 2 1 227.308 -0.733 20 0 BBADMP COCCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000583575758 355657583 /nfs/dbraw/zinc/65/75/83/355657583.db2.gz RMLFNXQOYBUUAQ-UWVGGRQHSA-N 2 1 227.308 -0.733 20 0 BBADMP COCCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000583575759 355657776 /nfs/dbraw/zinc/65/77/76/355657776.db2.gz RMLFNXQOYBUUAQ-VHSXEESVSA-N 2 1 227.308 -0.733 20 0 BBADMP COCCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000583575760 355657850 /nfs/dbraw/zinc/65/78/50/355657850.db2.gz RMLFNXQOYBUUAQ-ZJUUUORDSA-N 2 1 227.308 -0.733 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC000583631661 355941590 /nfs/dbraw/zinc/94/15/90/355941590.db2.gz VYDCALIOUJUWIK-AEJSXWLSSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000583631661 355941587 /nfs/dbraw/zinc/94/15/87/355941587.db2.gz VYDCALIOUJUWIK-AEJSXWLSSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC000583631662 355941501 /nfs/dbraw/zinc/94/15/01/355941501.db2.gz VYDCALIOUJUWIK-GUBZILKMSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000583631662 355941498 /nfs/dbraw/zinc/94/14/98/355941498.db2.gz VYDCALIOUJUWIK-GUBZILKMSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000583631663 355942067 /nfs/dbraw/zinc/94/20/67/355942067.db2.gz VYDCALIOUJUWIK-IVZWLZJFSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000583631663 355942065 /nfs/dbraw/zinc/94/20/65/355942065.db2.gz VYDCALIOUJUWIK-IVZWLZJFSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000583631664 355941794 /nfs/dbraw/zinc/94/17/94/355941794.db2.gz VYDCALIOUJUWIK-LPEHRKFASA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000583631664 355941788 /nfs/dbraw/zinc/94/17/88/355941788.db2.gz VYDCALIOUJUWIK-LPEHRKFASA-N 2 1 211.309 -0.066 20 0 BBADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000583693896 357183348 /nfs/dbraw/zinc/18/33/48/357183348.db2.gz OPNWZPRHHYIRHB-GHMZBOCLSA-N 3 1 213.325 -0.355 20 0 BBADMP [NH3+]C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000583693896 357183343 /nfs/dbraw/zinc/18/33/43/357183343.db2.gz OPNWZPRHHYIRHB-GHMZBOCLSA-N 3 1 213.325 -0.355 20 0 BBADMP [NH3+]C[C@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000583693897 357183022 /nfs/dbraw/zinc/18/30/22/357183022.db2.gz OPNWZPRHHYIRHB-MNOVXSKESA-N 3 1 213.325 -0.355 20 0 BBADMP [NH3+]C[C@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000583693897 357183020 /nfs/dbraw/zinc/18/30/20/357183020.db2.gz OPNWZPRHHYIRHB-MNOVXSKESA-N 3 1 213.325 -0.355 20 0 BBADMP [NH3+]C[C@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000583693898 357183081 /nfs/dbraw/zinc/18/30/81/357183081.db2.gz OPNWZPRHHYIRHB-QWRGUYRKSA-N 3 1 213.325 -0.355 20 0 BBADMP [NH3+]C[C@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000583693898 357183080 /nfs/dbraw/zinc/18/30/80/357183080.db2.gz OPNWZPRHHYIRHB-QWRGUYRKSA-N 3 1 213.325 -0.355 20 0 BBADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000583693899 357183601 /nfs/dbraw/zinc/18/36/01/357183601.db2.gz OPNWZPRHHYIRHB-WDEREUQCSA-N 3 1 213.325 -0.355 20 0 BBADMP [NH3+]C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000583693899 357183599 /nfs/dbraw/zinc/18/35/99/357183599.db2.gz OPNWZPRHHYIRHB-WDEREUQCSA-N 3 1 213.325 -0.355 20 0 BBADMP CC(C)([NH3+])C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000584053678 343307736 /nfs/dbraw/zinc/30/77/36/343307736.db2.gz UNNISESTHGJOOI-LLVKDONJSA-N 3 1 226.368 -0.297 20 0 BBADMP CC(C)([NH3+])C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000584053678 343307734 /nfs/dbraw/zinc/30/77/34/343307734.db2.gz UNNISESTHGJOOI-LLVKDONJSA-N 3 1 226.368 -0.297 20 0 BBADMP CC(C)([NH3+])C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000584053679 343307975 /nfs/dbraw/zinc/30/79/75/343307975.db2.gz UNNISESTHGJOOI-NSHDSACASA-N 3 1 226.368 -0.297 20 0 BBADMP CC(C)([NH3+])C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000584053679 343307973 /nfs/dbraw/zinc/30/79/73/343307973.db2.gz UNNISESTHGJOOI-NSHDSACASA-N 3 1 226.368 -0.297 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)CC1(C[NH3+])CC1 ZINC000584112518 343697575 /nfs/dbraw/zinc/69/75/75/343697575.db2.gz QMOJRPURXGSNRX-UHFFFAOYSA-N 2 1 221.251 -0.174 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000584229791 343775838 /nfs/dbraw/zinc/77/58/38/343775838.db2.gz QUBSCUUFUSIZRQ-LLVKDONJSA-N 2 1 241.335 -0.425 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000584229792 343775788 /nfs/dbraw/zinc/77/57/88/343775788.db2.gz QUBSCUUFUSIZRQ-NSHDSACASA-N 2 1 241.335 -0.425 20 0 BBADMP C[NH+](C)[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000584241245 398221031 /nfs/dbraw/zinc/22/10/31/398221031.db2.gz GPSHKBIGLGVGCO-DCAQKATOSA-N 2 1 241.335 -0.786 20 0 BBADMP C[NH+](C)[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000584241246 398221154 /nfs/dbraw/zinc/22/11/54/398221154.db2.gz GPSHKBIGLGVGCO-VWYCJHECSA-N 2 1 241.335 -0.786 20 0 BBADMP CC[NH2+]CCCNC(=O)NCC(F)(F)C[NH3+] ZINC000584281417 344416443 /nfs/dbraw/zinc/41/64/43/344416443.db2.gz HLVHZMLIQBJTDO-UHFFFAOYSA-N 2 1 238.282 -0.121 20 0 BBADMP [NH3+]CC(F)(F)CC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000584298860 344436532 /nfs/dbraw/zinc/43/65/32/344436532.db2.gz QMXYOKMHDLMCFI-SSDOTTSWSA-N 2 1 237.250 -0.925 20 0 BBADMP [NH3+]CC(F)(F)CC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000584298861 344436596 /nfs/dbraw/zinc/43/65/96/344436596.db2.gz QMXYOKMHDLMCFI-ZETCQYMHSA-N 2 1 237.250 -0.925 20 0 BBADMP C[N@@H+](C[C@@H](O)CN)CC1CC[NH2+]CC1 ZINC000584350855 356064184 /nfs/dbraw/zinc/06/41/84/356064184.db2.gz FSJSPTLVBAJYQX-JTQLQIEISA-N 2 1 201.314 -0.763 20 0 BBADMP C[N@H+](C[C@@H](O)CN)CC1CC[NH2+]CC1 ZINC000584350855 356064181 /nfs/dbraw/zinc/06/41/81/356064181.db2.gz FSJSPTLVBAJYQX-JTQLQIEISA-N 2 1 201.314 -0.763 20 0 BBADMP C[N@@H+](C[C@@H](O)C[NH3+])CC1CC[NH2+]CC1 ZINC000584350855 356064178 /nfs/dbraw/zinc/06/41/78/356064178.db2.gz FSJSPTLVBAJYQX-JTQLQIEISA-N 3 1 201.314 -0.763 20 0 BBADMP C[N@@H+](C[C@H](O)CN)CC1CC[NH2+]CC1 ZINC000584350856 356064426 /nfs/dbraw/zinc/06/44/26/356064426.db2.gz FSJSPTLVBAJYQX-SNVBAGLBSA-N 2 1 201.314 -0.763 20 0 BBADMP C[N@H+](C[C@H](O)CN)CC1CC[NH2+]CC1 ZINC000584350856 356064424 /nfs/dbraw/zinc/06/44/24/356064424.db2.gz FSJSPTLVBAJYQX-SNVBAGLBSA-N 2 1 201.314 -0.763 20 0 BBADMP C[N@@H+](C[C@H](O)C[NH3+])CC1CC[NH2+]CC1 ZINC000584350856 356064423 /nfs/dbraw/zinc/06/44/23/356064423.db2.gz FSJSPTLVBAJYQX-SNVBAGLBSA-N 3 1 201.314 -0.763 20 0 BBADMP C[N@H+]1CCC[C@H]1CC[NH2+]C(CO)CO ZINC000584538231 358048497 /nfs/dbraw/zinc/04/84/97/358048497.db2.gz JWBTWSVOBVXBKZ-JTQLQIEISA-N 2 1 202.298 -0.587 20 0 BBADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C(CO)CO ZINC000584538232 358049185 /nfs/dbraw/zinc/04/91/85/358049185.db2.gz JWBTWSVOBVXBKZ-SNVBAGLBSA-N 2 1 202.298 -0.587 20 0 BBADMP CCOCC[NH+]1CCN(C(=O)[C@H](C)[NH2+]C)CC1 ZINC000584665057 358123422 /nfs/dbraw/zinc/12/34/22/358123422.db2.gz YXAQOMYMGICHDH-NSHDSACASA-N 2 1 243.351 -0.225 20 0 BBADMP CC[C@H]([NH3+])CNC(=O)CC(F)(F)C[NH3+] ZINC000584727800 358167310 /nfs/dbraw/zinc/16/73/10/358167310.db2.gz VSKBKKUXONDEEK-LURJTMIESA-N 2 1 209.240 -0.176 20 0 BBADMP CC[C@@H]([NH3+])CNC(=O)CC(F)(F)C[NH3+] ZINC000584727801 358166938 /nfs/dbraw/zinc/16/69/38/358166938.db2.gz VSKBKKUXONDEEK-ZCFIWIBFSA-N 2 1 209.240 -0.176 20 0 BBADMP C[C@@H](C(=O)NC(C)(C)C[NH3+])N1CC[NH+](C)CC1 ZINC000584781109 358177212 /nfs/dbraw/zinc/17/72/12/358177212.db2.gz KTSYGMQBFNZVFW-JTQLQIEISA-N 2 1 242.367 -0.524 20 0 BBADMP C[C@H](C(=O)NC(C)(C)C[NH3+])N1CC[NH+](C)CC1 ZINC000584781113 358176947 /nfs/dbraw/zinc/17/69/47/358176947.db2.gz KTSYGMQBFNZVFW-SNVBAGLBSA-N 2 1 242.367 -0.524 20 0 BBADMP CCOC(=O)COCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000589252163 346678160 /nfs/dbraw/zinc/67/81/60/346678160.db2.gz CRWQMMVWESBGJJ-GHMZBOCLSA-N 2 1 242.319 -0.283 20 0 BBADMP CCOC(=O)COCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000589252164 346678312 /nfs/dbraw/zinc/67/83/12/346678312.db2.gz CRWQMMVWESBGJJ-PHIMTYICSA-N 2 1 242.319 -0.283 20 0 BBADMP CCOC(=O)COCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000589252164 346678307 /nfs/dbraw/zinc/67/83/07/346678307.db2.gz CRWQMMVWESBGJJ-PHIMTYICSA-N 2 1 242.319 -0.283 20 0 BBADMP CCOC(=O)COCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000589252165 346678047 /nfs/dbraw/zinc/67/80/47/346678047.db2.gz CRWQMMVWESBGJJ-QWRGUYRKSA-N 2 1 242.319 -0.283 20 0 BBADMP C[NH+](C)CCn1cc(NC(=O)C[NH+](C)C)cn1 ZINC000589260211 346681318 /nfs/dbraw/zinc/68/13/18/346681318.db2.gz DKUUYXFFYUGKQN-UHFFFAOYSA-N 2 1 239.323 -0.055 20 0 BBADMP COC(=O)CCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000591723122 347689023 /nfs/dbraw/zinc/68/90/23/347689023.db2.gz GFLYVEFTUFRYBN-LLVKDONJSA-N 2 1 244.335 -0.016 20 0 BBADMP COC(=O)CCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000591723122 347689020 /nfs/dbraw/zinc/68/90/20/347689020.db2.gz GFLYVEFTUFRYBN-LLVKDONJSA-N 2 1 244.335 -0.016 20 0 BBADMP COC(=O)CCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000591723123 347689002 /nfs/dbraw/zinc/68/90/02/347689002.db2.gz GFLYVEFTUFRYBN-NSHDSACASA-N 2 1 244.335 -0.016 20 0 BBADMP COC(=O)CCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000591723123 347689001 /nfs/dbraw/zinc/68/90/01/347689001.db2.gz GFLYVEFTUFRYBN-NSHDSACASA-N 2 1 244.335 -0.016 20 0 BBADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)NC(N)=O)CC[N@H+]1C ZINC000591744271 347695109 /nfs/dbraw/zinc/69/51/09/347695109.db2.gz MKLSBVZDETWVBD-BDAKNGLRSA-N 2 1 242.323 -0.356 20 0 BBADMP C[C@H]1C[C@H]([NH2+]CCC(=O)NC(N)=O)CC[N@H+]1C ZINC000591744272 347695503 /nfs/dbraw/zinc/69/55/03/347695503.db2.gz MKLSBVZDETWVBD-DTWKUNHWSA-N 2 1 242.323 -0.356 20 0 BBADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)NC(N)=O)CC[N@H+]1C ZINC000591744273 347695559 /nfs/dbraw/zinc/69/55/59/347695559.db2.gz MKLSBVZDETWVBD-IUCAKERBSA-N 2 1 242.323 -0.356 20 0 BBADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)NC(N)=O)CC[N@H+]1C ZINC000591744274 347695425 /nfs/dbraw/zinc/69/54/25/347695425.db2.gz MKLSBVZDETWVBD-RKDXNWHRSA-N 2 1 242.323 -0.356 20 0 BBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000592047360 347724383 /nfs/dbraw/zinc/72/43/83/347724383.db2.gz JEFWGOIYULXLQG-BDAKNGLRSA-N 2 1 243.307 -0.913 20 0 BBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000592047360 347724380 /nfs/dbraw/zinc/72/43/80/347724380.db2.gz JEFWGOIYULXLQG-BDAKNGLRSA-N 2 1 243.307 -0.913 20 0 BBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000592047361 347724457 /nfs/dbraw/zinc/72/44/57/347724457.db2.gz JEFWGOIYULXLQG-IUCAKERBSA-N 2 1 243.307 -0.913 20 0 BBADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000592047361 347724456 /nfs/dbraw/zinc/72/44/56/347724456.db2.gz JEFWGOIYULXLQG-IUCAKERBSA-N 2 1 243.307 -0.913 20 0 BBADMP COCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC000592313621 347765979 /nfs/dbraw/zinc/76/59/79/347765979.db2.gz UQVZJDOLYMGNTE-LLVKDONJSA-N 2 1 243.351 -0.225 20 0 BBADMP COCC[N@H+]1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC000592313621 347765977 /nfs/dbraw/zinc/76/59/77/347765977.db2.gz UQVZJDOLYMGNTE-LLVKDONJSA-N 2 1 243.351 -0.225 20 0 BBADMP COCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C)C1 ZINC000592313634 347765957 /nfs/dbraw/zinc/76/59/57/347765957.db2.gz UQVZJDOLYMGNTE-NSHDSACASA-N 2 1 243.351 -0.225 20 0 BBADMP COCC[N@H+]1CCC[C@H](NC(=O)CN(C)C)C1 ZINC000592313634 347765955 /nfs/dbraw/zinc/76/59/55/347765955.db2.gz UQVZJDOLYMGNTE-NSHDSACASA-N 2 1 243.351 -0.225 20 0 BBADMP CCOC(=O)CC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000592472114 397949970 /nfs/dbraw/zinc/94/99/70/397949970.db2.gz MXPDTMWLASBVLT-UHFFFAOYSA-N 2 1 243.351 -0.223 20 0 BBADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000592473771 347790634 /nfs/dbraw/zinc/79/06/34/347790634.db2.gz NKQMXGZMEPAFIZ-SECBINFHSA-N 2 1 244.339 -0.110 20 0 BBADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+](C)CCC[NH3+] ZINC000592473771 347790632 /nfs/dbraw/zinc/79/06/32/347790632.db2.gz NKQMXGZMEPAFIZ-SECBINFHSA-N 2 1 244.339 -0.110 20 0 BBADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000592473772 347790456 /nfs/dbraw/zinc/79/04/56/347790456.db2.gz NKQMXGZMEPAFIZ-VIFPVBQESA-N 2 1 244.339 -0.110 20 0 BBADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+](C)CCC[NH3+] ZINC000592473772 347790454 /nfs/dbraw/zinc/79/04/54/347790454.db2.gz NKQMXGZMEPAFIZ-VIFPVBQESA-N 2 1 244.339 -0.110 20 0 BBADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)CCC[NH3+] ZINC000592473816 347790660 /nfs/dbraw/zinc/79/06/60/347790660.db2.gz PQHKQCGXWUPVSI-MRVPVSSYSA-N 2 1 242.323 -0.356 20 0 BBADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CCC[NH3+] ZINC000592473816 347790659 /nfs/dbraw/zinc/79/06/59/347790659.db2.gz PQHKQCGXWUPVSI-MRVPVSSYSA-N 2 1 242.323 -0.356 20 0 BBADMP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)CCC[NH3+] ZINC000592473818 347790725 /nfs/dbraw/zinc/79/07/25/347790725.db2.gz PQHKQCGXWUPVSI-QMMMGPOBSA-N 2 1 242.323 -0.356 20 0 BBADMP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CCC[NH3+] ZINC000592473818 347790722 /nfs/dbraw/zinc/79/07/22/347790722.db2.gz PQHKQCGXWUPVSI-QMMMGPOBSA-N 2 1 242.323 -0.356 20 0 BBADMP COC(=O)CN(C)C(=O)CC[N@@H+](C)CCC[NH3+] ZINC000592474294 347790574 /nfs/dbraw/zinc/79/05/74/347790574.db2.gz VNTHMSZIAKHKCT-UHFFFAOYSA-N 2 1 245.323 -0.712 20 0 BBADMP COC(=O)[C@@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000592493349 347787434 /nfs/dbraw/zinc/78/74/34/347787434.db2.gz OQDZVADZLRNTJJ-NSHDSACASA-N 2 1 241.335 -0.471 20 0 BBADMP COC(=O)[C@@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000592493349 347787430 /nfs/dbraw/zinc/78/74/30/347787430.db2.gz OQDZVADZLRNTJJ-NSHDSACASA-N 2 1 241.335 -0.471 20 0 BBADMP COC(=O)[C@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000592493876 347787776 /nfs/dbraw/zinc/78/77/76/347787776.db2.gz DXZZSUXXCXIFAH-SECBINFHSA-N 2 1 216.281 -0.401 20 0 BBADMP COC(=O)[C@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000592493876 347787773 /nfs/dbraw/zinc/78/77/73/347787773.db2.gz DXZZSUXXCXIFAH-SECBINFHSA-N 2 1 216.281 -0.401 20 0 BBADMP COC(=O)[C@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000592494297 347787647 /nfs/dbraw/zinc/78/76/47/347787647.db2.gz OQDZVADZLRNTJJ-LLVKDONJSA-N 2 1 241.335 -0.471 20 0 BBADMP COC(=O)[C@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000592494297 347787643 /nfs/dbraw/zinc/78/76/43/347787643.db2.gz OQDZVADZLRNTJJ-LLVKDONJSA-N 2 1 241.335 -0.471 20 0 BBADMP COC(=O)C[C@H]([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000592955053 347834409 /nfs/dbraw/zinc/83/44/09/347834409.db2.gz JEEWEQOQOGYGQB-VIFPVBQESA-N 2 1 243.307 -0.911 20 0 BBADMP CCOCCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594874969 348118285 /nfs/dbraw/zinc/11/82/85/348118285.db2.gz BYWUXPKLONVAHB-GHMZBOCLSA-N 2 1 241.335 -0.343 20 0 BBADMP CCOCCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594874970 348118175 /nfs/dbraw/zinc/11/81/75/348118175.db2.gz BYWUXPKLONVAHB-MNOVXSKESA-N 2 1 241.335 -0.343 20 0 BBADMP CCOCCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594874971 348117921 /nfs/dbraw/zinc/11/79/21/348117921.db2.gz BYWUXPKLONVAHB-QWRGUYRKSA-N 2 1 241.335 -0.343 20 0 BBADMP CCOCCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594874972 348118369 /nfs/dbraw/zinc/11/83/69/348118369.db2.gz BYWUXPKLONVAHB-WDEREUQCSA-N 2 1 241.335 -0.343 20 0 BBADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000594927968 348139024 /nfs/dbraw/zinc/13/90/24/348139024.db2.gz XJPAOIKMHGGHTO-GWOFURMSSA-N 2 1 244.335 -0.304 20 0 BBADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000594927969 348139116 /nfs/dbraw/zinc/13/91/16/348139116.db2.gz XJPAOIKMHGGHTO-LMLFDSFASA-N 2 1 244.335 -0.304 20 0 BBADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000594927970 348139155 /nfs/dbraw/zinc/13/91/55/348139155.db2.gz XJPAOIKMHGGHTO-LNFKQOIKSA-N 2 1 244.335 -0.304 20 0 BBADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000594927971 348138955 /nfs/dbraw/zinc/13/89/55/348138955.db2.gz XJPAOIKMHGGHTO-UKKRHICBSA-N 2 1 244.335 -0.304 20 0 BBADMP COC(=O)CC[NH2+]C1(CO)CC[NH2+]CC1 ZINC000595896567 348391536 /nfs/dbraw/zinc/39/15/36/348391536.db2.gz GFDIZGZFSXLTLL-UHFFFAOYSA-N 2 1 216.281 -0.746 20 0 BBADMP CCOC(=O)CC[NH2+]C1(CO)CC[NH2+]CC1 ZINC000595897498 348393765 /nfs/dbraw/zinc/39/37/65/348393765.db2.gz ZMRZEKJZNWPWHM-UHFFFAOYSA-N 2 1 230.308 -0.356 20 0 BBADMP CNC(=O)NC(=O)CC[N@@H+](C)CC(C)(C)[NH3+] ZINC000595897842 348393847 /nfs/dbraw/zinc/39/38/47/348393847.db2.gz DHXXNYKWMNBMNE-UHFFFAOYSA-N 2 1 230.312 -0.499 20 0 BBADMP CNC(=O)NC(=O)CC[N@H+](C)CC(C)(C)[NH3+] ZINC000595897842 348393843 /nfs/dbraw/zinc/39/38/43/348393843.db2.gz DHXXNYKWMNBMNE-UHFFFAOYSA-N 2 1 230.312 -0.499 20 0 BBADMP C[N@@H+](CCC(=O)NC(N)=O)CC(C)(C)[NH3+] ZINC000595903199 348395186 /nfs/dbraw/zinc/39/51/86/348395186.db2.gz ULLDTNPIRRSCJJ-UHFFFAOYSA-N 2 1 216.285 -0.760 20 0 BBADMP C[N@H+](CCC(=O)NC(N)=O)CC(C)(C)[NH3+] ZINC000595903199 348395182 /nfs/dbraw/zinc/39/51/82/348395182.db2.gz ULLDTNPIRRSCJJ-UHFFFAOYSA-N 2 1 216.285 -0.760 20 0 BBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H](F)[C@H](N)C1 ZINC000595905492 348396135 /nfs/dbraw/zinc/39/61/35/348396135.db2.gz CZOFFECEGMYBHN-HTQZYQBOSA-N 2 1 246.286 -0.797 20 0 BBADMP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H](F)[C@H](N)C1 ZINC000595905492 348396131 /nfs/dbraw/zinc/39/61/31/348396131.db2.gz CZOFFECEGMYBHN-HTQZYQBOSA-N 2 1 246.286 -0.797 20 0 BBADMP COC(=O)[C@H]1C[C@@H]([N@@H+](C)CCOCC[NH3+])C1 ZINC000595905899 348396651 /nfs/dbraw/zinc/39/66/51/348396651.db2.gz XGYKIONWDDMZNW-AOOOYVTPSA-N 2 1 230.308 -0.155 20 0 BBADMP NC(=O)NC(=O)CC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598681097 349014802 /nfs/dbraw/zinc/01/48/02/349014802.db2.gz DSDXBJORAXFCGU-GZMMTYOYSA-N 2 1 240.307 -0.615 20 0 BBADMP NC(=O)NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598681097 349014800 /nfs/dbraw/zinc/01/48/00/349014800.db2.gz DSDXBJORAXFCGU-GZMMTYOYSA-N 2 1 240.307 -0.615 20 0 BBADMP NC(=O)NC(=O)CC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598681098 349015061 /nfs/dbraw/zinc/01/50/61/349015061.db2.gz DSDXBJORAXFCGU-KCJUWKMLSA-N 2 1 240.307 -0.615 20 0 BBADMP NC(=O)NC(=O)CC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598681098 349015059 /nfs/dbraw/zinc/01/50/59/349015059.db2.gz DSDXBJORAXFCGU-KCJUWKMLSA-N 2 1 240.307 -0.615 20 0 BBADMP NC(=O)NC(=O)CC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598681099 349014989 /nfs/dbraw/zinc/01/49/89/349014989.db2.gz DSDXBJORAXFCGU-KWQFWETISA-N 2 1 240.307 -0.615 20 0 BBADMP NC(=O)NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598681099 349014987 /nfs/dbraw/zinc/01/49/87/349014987.db2.gz DSDXBJORAXFCGU-KWQFWETISA-N 2 1 240.307 -0.615 20 0 BBADMP NC(=O)NC(=O)CC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598681100 349015449 /nfs/dbraw/zinc/01/54/49/349015449.db2.gz DSDXBJORAXFCGU-LDYMZIIASA-N 2 1 240.307 -0.615 20 0 BBADMP NC(=O)NC(=O)CC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598681100 349015446 /nfs/dbraw/zinc/01/54/46/349015446.db2.gz DSDXBJORAXFCGU-LDYMZIIASA-N 2 1 240.307 -0.615 20 0 BBADMP CCOC(=O)C[C@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000599269320 349135992 /nfs/dbraw/zinc/13/59/92/349135992.db2.gz RPDJZMALXOFGHB-AXFHLTTASA-N 2 1 242.319 -0.548 20 0 BBADMP CCOC(=O)C[C@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000599269320 349135990 /nfs/dbraw/zinc/13/59/90/349135990.db2.gz RPDJZMALXOFGHB-AXFHLTTASA-N 2 1 242.319 -0.548 20 0 BBADMP CCOC(=O)C[C@H](O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000599269321 349136502 /nfs/dbraw/zinc/13/65/02/349136502.db2.gz RPDJZMALXOFGHB-DCAQKATOSA-N 2 1 242.319 -0.548 20 0 BBADMP CCOC(=O)C[C@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000599269322 349136020 /nfs/dbraw/zinc/13/60/20/349136020.db2.gz RPDJZMALXOFGHB-MXWKQRLJSA-N 2 1 242.319 -0.548 20 0 BBADMP CCOC(=O)C[C@@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000599269323 349136737 /nfs/dbraw/zinc/13/67/37/349136737.db2.gz RPDJZMALXOFGHB-OUAUKWLOSA-N 2 1 242.319 -0.548 20 0 BBADMP CCOC(=O)C[C@@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000599269323 349136735 /nfs/dbraw/zinc/13/67/35/349136735.db2.gz RPDJZMALXOFGHB-OUAUKWLOSA-N 2 1 242.319 -0.548 20 0 BBADMP CC[N@@H+](CCN)CCC(=O)N(C)CC(=O)OC ZINC000600721202 344363004 /nfs/dbraw/zinc/36/30/04/344363004.db2.gz UGKVXJJRIKDZQI-UHFFFAOYSA-N 2 1 245.323 -0.712 20 0 BBADMP CCOC(=O)CC[N@@H+](C)CCOCC[NH3+] ZINC000600739589 344366440 /nfs/dbraw/zinc/36/64/40/344366440.db2.gz DDCNTQQMBYOZOA-UHFFFAOYSA-N 2 1 218.297 -0.153 20 0 BBADMP COC(=O)CCC[N@@H+](C)CCOCC[NH3+] ZINC000600740482 344366916 /nfs/dbraw/zinc/36/69/16/344366916.db2.gz IIVOWLSLDHNACR-UHFFFAOYSA-N 2 1 218.297 -0.153 20 0 BBADMP Cn1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000600767445 344370280 /nfs/dbraw/zinc/37/02/80/344370280.db2.gz AZYRXHSVECMNRY-NEPJUHHUSA-N 2 1 248.330 -0.231 20 0 BBADMP Cn1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000600767445 344370279 /nfs/dbraw/zinc/37/02/79/344370279.db2.gz AZYRXHSVECMNRY-NEPJUHHUSA-N 2 1 248.330 -0.231 20 0 BBADMP Cn1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000600767499 344370198 /nfs/dbraw/zinc/37/01/98/344370198.db2.gz AZYRXHSVECMNRY-NWDGAFQWSA-N 2 1 248.330 -0.231 20 0 BBADMP Cn1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000600767499 344370197 /nfs/dbraw/zinc/37/01/97/344370197.db2.gz AZYRXHSVECMNRY-NWDGAFQWSA-N 2 1 248.330 -0.231 20 0 BBADMP Cn1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000600767500 344370188 /nfs/dbraw/zinc/37/01/88/344370188.db2.gz AZYRXHSVECMNRY-RYUDHWBXSA-N 2 1 248.330 -0.231 20 0 BBADMP Cn1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000600767500 344370187 /nfs/dbraw/zinc/37/01/87/344370187.db2.gz AZYRXHSVECMNRY-RYUDHWBXSA-N 2 1 248.330 -0.231 20 0 BBADMP Cn1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000600767501 344370169 /nfs/dbraw/zinc/37/01/69/344370169.db2.gz AZYRXHSVECMNRY-VXGBXAGGSA-N 2 1 248.330 -0.231 20 0 BBADMP Cn1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000600767501 344370167 /nfs/dbraw/zinc/37/01/67/344370167.db2.gz AZYRXHSVECMNRY-VXGBXAGGSA-N 2 1 248.330 -0.231 20 0 BBADMP Cc1cc(NC(=O)CN2CC[NH+](C)CC2)ccn1 ZINC000600930193 344399048 /nfs/dbraw/zinc/39/90/48/344399048.db2.gz XURMPYDRLWVPEY-UHFFFAOYSA-N 2 1 248.330 -0.002 20 0 BBADMP C[C@H](CNC(=O)CN1CC[NH+](C)CC1)[NH+](C)C ZINC000600947369 344400709 /nfs/dbraw/zinc/40/07/09/344400709.db2.gz RSTGNYLUIRQHLS-LLVKDONJSA-N 2 1 242.367 -0.700 20 0 BBADMP C[C@@H](CNC(=O)CN1CC[NH+](C)CC1)[NH+](C)C ZINC000600947374 344401008 /nfs/dbraw/zinc/40/10/08/344401008.db2.gz RSTGNYLUIRQHLS-NSHDSACASA-N 2 1 242.367 -0.700 20 0 BBADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601325634 384749185 /nfs/dbraw/zinc/74/91/85/384749185.db2.gz DUBVETIMGTWAQL-HRDYMLBCSA-N 2 1 242.323 -0.643 20 0 BBADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601325634 384749176 /nfs/dbraw/zinc/74/91/76/384749176.db2.gz DUBVETIMGTWAQL-HRDYMLBCSA-N 2 1 242.323 -0.643 20 0 BBADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601326327 347208758 /nfs/dbraw/zinc/20/87/58/347208758.db2.gz MDLFOMVVOOQMPQ-RKDXNWHRSA-N 2 1 242.323 -0.641 20 0 BBADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601326327 347208755 /nfs/dbraw/zinc/20/87/55/347208755.db2.gz MDLFOMVVOOQMPQ-RKDXNWHRSA-N 2 1 242.323 -0.641 20 0 BBADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCc3cn[nH]c3)CCN2C1=O ZINC000603429312 349951969 /nfs/dbraw/zinc/95/19/69/349951969.db2.gz NIBRVXLEVGQIIS-GHMZBOCLSA-N 2 1 249.318 -0.804 20 0 BBADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCc3cn[nH]c3)CCN2C1=O ZINC000603429312 349951963 /nfs/dbraw/zinc/95/19/63/349951963.db2.gz NIBRVXLEVGQIIS-GHMZBOCLSA-N 2 1 249.318 -0.804 20 0 BBADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCc3cn[nH]c3)CCN2C1=O ZINC000603429320 349951744 /nfs/dbraw/zinc/95/17/44/349951744.db2.gz NIBRVXLEVGQIIS-MNOVXSKESA-N 2 1 249.318 -0.804 20 0 BBADMP [NH3+][C@H]1C[C@@H]2C[N@H+](CCc3cn[nH]c3)CCN2C1=O ZINC000603429320 349951741 /nfs/dbraw/zinc/95/17/41/349951741.db2.gz NIBRVXLEVGQIIS-MNOVXSKESA-N 2 1 249.318 -0.804 20 0 BBADMP [NH3+][C@H]1C[C@H]2C[N@@H+](CCc3cn[nH]c3)CCN2C1=O ZINC000603429324 349951667 /nfs/dbraw/zinc/95/16/67/349951667.db2.gz NIBRVXLEVGQIIS-QWRGUYRKSA-N 2 1 249.318 -0.804 20 0 BBADMP [NH3+][C@H]1C[C@H]2C[N@H+](CCc3cn[nH]c3)CCN2C1=O ZINC000603429324 349951663 /nfs/dbraw/zinc/95/16/63/349951663.db2.gz NIBRVXLEVGQIIS-QWRGUYRKSA-N 2 1 249.318 -0.804 20 0 BBADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCc3cn[nH]c3)CCN2C1=O ZINC000603429326 349951428 /nfs/dbraw/zinc/95/14/28/349951428.db2.gz NIBRVXLEVGQIIS-WDEREUQCSA-N 2 1 249.318 -0.804 20 0 BBADMP [NH3+][C@@H]1C[C@H]2C[N@H+](CCc3cn[nH]c3)CCN2C1=O ZINC000603429326 349951424 /nfs/dbraw/zinc/95/14/24/349951424.db2.gz NIBRVXLEVGQIIS-WDEREUQCSA-N 2 1 249.318 -0.804 20 0 BBADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000603431775 349953221 /nfs/dbraw/zinc/95/32/21/349953221.db2.gz GTUPBIPQVRCXJB-HTQZYQBOSA-N 2 1 242.323 -0.453 20 0 BBADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000603431777 349953216 /nfs/dbraw/zinc/95/32/16/349953216.db2.gz GTUPBIPQVRCXJB-JGVFFNPUSA-N 2 1 242.323 -0.453 20 0 BBADMP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000603431779 349953451 /nfs/dbraw/zinc/95/34/51/349953451.db2.gz GTUPBIPQVRCXJB-SFYZADRCSA-N 2 1 242.323 -0.453 20 0 BBADMP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000603431780 349953321 /nfs/dbraw/zinc/95/33/21/349953321.db2.gz GTUPBIPQVRCXJB-YUMQZZPRSA-N 2 1 242.323 -0.453 20 0 BBADMP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000603433440 349961550 /nfs/dbraw/zinc/96/15/50/349961550.db2.gz NPTSFGDMZPHBNC-BQBZGAKWSA-N 2 1 228.296 -0.843 20 0 BBADMP CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000603433441 349961382 /nfs/dbraw/zinc/96/13/82/349961382.db2.gz NPTSFGDMZPHBNC-NKWVEPMBSA-N 2 1 228.296 -0.843 20 0 BBADMP CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000603433442 349961235 /nfs/dbraw/zinc/96/12/35/349961235.db2.gz NPTSFGDMZPHBNC-RNFRBKRXSA-N 2 1 228.296 -0.843 20 0 BBADMP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000603433443 349961511 /nfs/dbraw/zinc/96/15/11/349961511.db2.gz NPTSFGDMZPHBNC-RQJHMYQMSA-N 2 1 228.296 -0.843 20 0 BBADMP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000603435317 349967920 /nfs/dbraw/zinc/96/79/20/349967920.db2.gz YAUXCRYWLFYBJU-BIIVOSGPSA-N 2 1 242.323 -0.454 20 0 BBADMP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000603435318 349968105 /nfs/dbraw/zinc/96/81/05/349968105.db2.gz YAUXCRYWLFYBJU-FXQIFTODSA-N 2 1 242.323 -0.454 20 0 BBADMP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000603435319 349968076 /nfs/dbraw/zinc/96/80/76/349968076.db2.gz YAUXCRYWLFYBJU-RNJXMRFFSA-N 2 1 242.323 -0.454 20 0 BBADMP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000603435320 349968059 /nfs/dbraw/zinc/96/80/59/349968059.db2.gz YAUXCRYWLFYBJU-XLPZGREQSA-N 2 1 242.323 -0.454 20 0 BBADMP O[C@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@H](O)C2)C1 ZINC000603935849 350059534 /nfs/dbraw/zinc/05/95/34/350059534.db2.gz ZXSNJCWDOWUDJX-ZMCHVJTCSA-N 2 1 226.320 -0.324 20 0 BBADMP NC(=O)NC(=O)CCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000604483034 350138524 /nfs/dbraw/zinc/13/85/24/350138524.db2.gz UYPPOCPCTPCGBS-DTORHVGOSA-N 2 1 240.307 -0.887 20 0 BBADMP C[C@@]1(NC(=O)NCC(F)(F)C[NH3+])CC[NH2+]C1 ZINC000612916773 360176922 /nfs/dbraw/zinc/17/69/22/360176922.db2.gz RNLHFCDBZYDGNX-MRVPVSSYSA-N 2 1 236.266 -0.368 20 0 BBADMP C[C@]1(NC(=O)NCC(F)(F)C[NH3+])CC[NH2+]C1 ZINC000612916774 360176873 /nfs/dbraw/zinc/17/68/73/360176873.db2.gz RNLHFCDBZYDGNX-QMMMGPOBSA-N 2 1 236.266 -0.368 20 0 BBADMP O[C@@H](Cn1cccn1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613211241 361273890 /nfs/dbraw/zinc/27/38/90/361273890.db2.gz LIHKTYKLNDVOSP-GRYCIOLGSA-N 2 1 236.319 -0.605 20 0 BBADMP O[C@H](Cn1cccn1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613211244 361274083 /nfs/dbraw/zinc/27/40/83/361274083.db2.gz LIHKTYKLNDVOSP-TUAOUCFPSA-N 2 1 236.319 -0.605 20 0 BBADMP C[NH+](C)C1(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000613522938 363473619 /nfs/dbraw/zinc/47/36/19/363473619.db2.gz OLHPCPCYYHCBAH-LLVKDONJSA-N 2 1 241.335 -0.737 20 0 BBADMP C[NH+](C)C1(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000613522939 363472851 /nfs/dbraw/zinc/47/28/51/363472851.db2.gz OLHPCPCYYHCBAH-NSHDSACASA-N 2 1 241.335 -0.737 20 0 BBADMP CC[N@@H+](CCO)CCNC(=O)C1([NH+](C)C)CC1 ZINC000613586686 363526779 /nfs/dbraw/zinc/52/67/79/363526779.db2.gz UMXAAOPQNJFEEP-UHFFFAOYSA-N 2 1 243.351 -0.489 20 0 BBADMP CCOC(=O)[C@](C)(O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000613855333 363651840 /nfs/dbraw/zinc/65/18/40/363651840.db2.gz QHEJAIPUAGKNBC-CKYFFXLPSA-N 2 1 242.319 -0.548 20 0 BBADMP CCOC(=O)[C@](C)(O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000613855335 363651582 /nfs/dbraw/zinc/65/15/82/363651582.db2.gz QHEJAIPUAGKNBC-JBLDHEPKSA-N 2 1 242.319 -0.548 20 0 BBADMP CCOC(=O)[C@](C)(O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613855336 363651405 /nfs/dbraw/zinc/65/14/05/363651405.db2.gz QHEJAIPUAGKNBC-JFGNBEQYSA-N 2 1 242.319 -0.548 20 0 BBADMP CCOC(=O)[C@](C)(O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613855336 363651398 /nfs/dbraw/zinc/65/13/98/363651398.db2.gz QHEJAIPUAGKNBC-JFGNBEQYSA-N 2 1 242.319 -0.548 20 0 BBADMP CCOC(=O)[C@@](C)(O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613855337 363651054 /nfs/dbraw/zinc/65/10/54/363651054.db2.gz QHEJAIPUAGKNBC-UMNHJUIQSA-N 2 1 242.319 -0.548 20 0 BBADMP CCOC(=O)[C@@](C)(O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613855337 363651052 /nfs/dbraw/zinc/65/10/52/363651052.db2.gz QHEJAIPUAGKNBC-UMNHJUIQSA-N 2 1 242.319 -0.548 20 0 BBADMP C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC000614851415 364003319 /nfs/dbraw/zinc/00/33/19/364003319.db2.gz ACMYEKUPRDRYFU-NXEZZACHSA-N 2 1 229.324 -0.881 20 0 BBADMP C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000614851416 364003476 /nfs/dbraw/zinc/00/34/76/364003476.db2.gz ACMYEKUPRDRYFU-UWVGGRQHSA-N 2 1 229.324 -0.881 20 0 BBADMP C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC000614851417 364002999 /nfs/dbraw/zinc/00/29/99/364002999.db2.gz ACMYEKUPRDRYFU-VHSXEESVSA-N 2 1 229.324 -0.881 20 0 BBADMP C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000614851418 364002886 /nfs/dbraw/zinc/00/28/86/364002886.db2.gz ACMYEKUPRDRYFU-ZJUUUORDSA-N 2 1 229.324 -0.881 20 0 BBADMP C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000614852115 364005914 /nfs/dbraw/zinc/00/59/14/364005914.db2.gz NYMIWDOFEGWDSX-GHMZBOCLSA-N 2 1 243.351 -0.491 20 0 BBADMP C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000614852116 364005842 /nfs/dbraw/zinc/00/58/42/364005842.db2.gz NYMIWDOFEGWDSX-MNOVXSKESA-N 2 1 243.351 -0.491 20 0 BBADMP C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000614852117 364005584 /nfs/dbraw/zinc/00/55/84/364005584.db2.gz NYMIWDOFEGWDSX-QWRGUYRKSA-N 2 1 243.351 -0.491 20 0 BBADMP C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000614852118 364005793 /nfs/dbraw/zinc/00/57/93/364005793.db2.gz NYMIWDOFEGWDSX-WDEREUQCSA-N 2 1 243.351 -0.491 20 0 BBADMP CCC[N@@H+](C)CC(=O)N[C@H](CO)C[NH+](C)C ZINC000614854339 364010627 /nfs/dbraw/zinc/01/06/27/364010627.db2.gz NFONJDKAIHDKNL-JTQLQIEISA-N 2 1 231.340 -0.633 20 0 BBADMP CCC[N@@H+](C)CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000614854340 364010785 /nfs/dbraw/zinc/01/07/85/364010785.db2.gz NFONJDKAIHDKNL-SNVBAGLBSA-N 2 1 231.340 -0.633 20 0 BBADMP Cc1[nH+]ccn1CC(=O)N[C@H](CO)C[NH+](C)C ZINC000614858591 364013859 /nfs/dbraw/zinc/01/38/59/364013859.db2.gz PKYLDQJMLQIKRW-JTQLQIEISA-N 2 1 240.307 -0.770 20 0 BBADMP Cc1[nH+]ccn1CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000614858592 364014306 /nfs/dbraw/zinc/01/43/06/364014306.db2.gz PKYLDQJMLQIKRW-SNVBAGLBSA-N 2 1 240.307 -0.770 20 0 BBADMP C[C@@H]1[C@H](C(=O)N[C@@H](CO)C[NH+](C)C)CC[N@H+]1C ZINC000614859445 364015585 /nfs/dbraw/zinc/01/55/85/364015585.db2.gz ZKCHDFXUKLAAFR-GMTAPVOTSA-N 2 1 243.351 -0.635 20 0 BBADMP C[C@@H]1[C@H](C(=O)N[C@H](CO)C[NH+](C)C)CC[N@H+]1C ZINC000614859446 364015147 /nfs/dbraw/zinc/01/51/47/364015147.db2.gz ZKCHDFXUKLAAFR-OUAUKWLOSA-N 2 1 243.351 -0.635 20 0 BBADMP C[NH+]1CC[C@H](C(=O)N2CC[N@@H+]3CC[C@H]2C3)C1 ZINC000615564907 490238203 /nfs/dbraw/zinc/23/82/03/490238203.db2.gz NGIPYTKYJONCGC-QWRGUYRKSA-N 2 1 223.320 -0.145 20 0 BBADMP C[N@H+]1CC[C@H](C(=O)N2CC[NH+]3CC[C@H]2C3)C1 ZINC000615564907 490238198 /nfs/dbraw/zinc/23/81/98/490238198.db2.gz NGIPYTKYJONCGC-QWRGUYRKSA-N 2 1 223.320 -0.145 20 0 BBADMP CN(Cc1c[nH]cn1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000616925401 347456479 /nfs/dbraw/zinc/45/64/79/347456479.db2.gz GNOCGJCYOGIBCV-JTQLQIEISA-N 2 1 238.291 -0.301 20 0 BBADMP CN(Cc1c[nH]cn1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000616925402 347456422 /nfs/dbraw/zinc/45/64/22/347456422.db2.gz GNOCGJCYOGIBCV-SNVBAGLBSA-N 2 1 238.291 -0.301 20 0 BBADMP C[C@H](O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617506158 354602400 /nfs/dbraw/zinc/60/24/00/354602400.db2.gz CGFDCPBTRKHWFN-QWRGUYRKSA-N 2 1 245.367 -0.245 20 0 BBADMP C[C@H](O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617506158 354602397 /nfs/dbraw/zinc/60/23/97/354602397.db2.gz CGFDCPBTRKHWFN-QWRGUYRKSA-N 2 1 245.367 -0.245 20 0 BBADMP C[C@@H](O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617506159 354602265 /nfs/dbraw/zinc/60/22/65/354602265.db2.gz CGFDCPBTRKHWFN-WDEREUQCSA-N 2 1 245.367 -0.245 20 0 BBADMP C[C@@H](O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617506159 354602261 /nfs/dbraw/zinc/60/22/61/354602261.db2.gz CGFDCPBTRKHWFN-WDEREUQCSA-N 2 1 245.367 -0.245 20 0 BBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CO ZINC000617506522 354602317 /nfs/dbraw/zinc/60/23/17/354602317.db2.gz QPCKMAMREAZMOK-JTQLQIEISA-N 2 1 231.340 -0.633 20 0 BBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CO ZINC000617506522 354602312 /nfs/dbraw/zinc/60/23/12/354602312.db2.gz QPCKMAMREAZMOK-JTQLQIEISA-N 2 1 231.340 -0.633 20 0 BBADMP C[C@@H]1CN(CCNC(=O)CN(C)C)[C@H](C)CO1 ZINC000617735787 356303780 /nfs/dbraw/zinc/30/37/80/356303780.db2.gz UKVLUZCMOIUITR-GHMZBOCLSA-N 2 1 243.351 -0.227 20 0 BBADMP C[C@@H]1CO[C@@H](C)CN1CCNC(=O)CN(C)C ZINC000617735788 356304155 /nfs/dbraw/zinc/30/41/55/356304155.db2.gz UKVLUZCMOIUITR-MNOVXSKESA-N 2 1 243.351 -0.227 20 0 BBADMP C[C@H]1CN(CCNC(=O)CN(C)C)[C@@H](C)CO1 ZINC000617735789 356304139 /nfs/dbraw/zinc/30/41/39/356304139.db2.gz UKVLUZCMOIUITR-QWRGUYRKSA-N 2 1 243.351 -0.227 20 0 BBADMP C[C@@H]1CN(CCNC(=O)CN(C)C)[C@@H](C)CO1 ZINC000617735790 356303959 /nfs/dbraw/zinc/30/39/59/356303959.db2.gz UKVLUZCMOIUITR-WDEREUQCSA-N 2 1 243.351 -0.227 20 0 BBADMP C[C@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000617754109 356312825 /nfs/dbraw/zinc/31/28/25/356312825.db2.gz PQSWBQTYFCDRJP-GHMZBOCLSA-N 2 1 243.351 -0.227 20 0 BBADMP C[C@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000617754109 356312822 /nfs/dbraw/zinc/31/28/22/356312822.db2.gz PQSWBQTYFCDRJP-GHMZBOCLSA-N 2 1 243.351 -0.227 20 0 BBADMP C[C@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000617754110 356312796 /nfs/dbraw/zinc/31/27/96/356312796.db2.gz PQSWBQTYFCDRJP-MNOVXSKESA-N 2 1 243.351 -0.227 20 0 BBADMP C[C@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000617754110 356312795 /nfs/dbraw/zinc/31/27/95/356312795.db2.gz PQSWBQTYFCDRJP-MNOVXSKESA-N 2 1 243.351 -0.227 20 0 BBADMP C[C@@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000617754111 356313025 /nfs/dbraw/zinc/31/30/25/356313025.db2.gz PQSWBQTYFCDRJP-QWRGUYRKSA-N 2 1 243.351 -0.227 20 0 BBADMP C[C@@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000617754111 356313023 /nfs/dbraw/zinc/31/30/23/356313023.db2.gz PQSWBQTYFCDRJP-QWRGUYRKSA-N 2 1 243.351 -0.227 20 0 BBADMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000617754112 356312854 /nfs/dbraw/zinc/31/28/54/356312854.db2.gz PQSWBQTYFCDRJP-WDEREUQCSA-N 2 1 243.351 -0.227 20 0 BBADMP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000617754112 356312851 /nfs/dbraw/zinc/31/28/51/356312851.db2.gz PQSWBQTYFCDRJP-WDEREUQCSA-N 2 1 243.351 -0.227 20 0 BBADMP CN(CC1C[NH+](C)C1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000618190350 343547796 /nfs/dbraw/zinc/54/77/96/343547796.db2.gz OVPMFMSPTZKOAV-LLVKDONJSA-N 2 1 225.336 -0.042 20 0 BBADMP CN(CC1C[NH+](C)C1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000618190351 343547718 /nfs/dbraw/zinc/54/77/18/343547718.db2.gz OVPMFMSPTZKOAV-NSHDSACASA-N 2 1 225.336 -0.042 20 0 BBADMP CN(CC1C[NH+](C)C1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000618192975 369085059 /nfs/dbraw/zinc/08/50/59/369085059.db2.gz DZGNMCQUFDRIKN-LLVKDONJSA-N 2 1 241.335 -0.663 20 0 BBADMP CN(CC1C[NH+](C)C1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000618192975 369085056 /nfs/dbraw/zinc/08/50/56/369085056.db2.gz DZGNMCQUFDRIKN-LLVKDONJSA-N 2 1 241.335 -0.663 20 0 BBADMP CN(CC1C[NH+](C)C1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000618192976 369084150 /nfs/dbraw/zinc/08/41/50/369084150.db2.gz DZGNMCQUFDRIKN-NSHDSACASA-N 2 1 241.335 -0.663 20 0 BBADMP CN(CC1C[NH+](C)C1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000618192976 369084145 /nfs/dbraw/zinc/08/41/45/369084145.db2.gz DZGNMCQUFDRIKN-NSHDSACASA-N 2 1 241.335 -0.663 20 0 BBADMP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)[C@H]1CSC[NH2+]1)C2 ZINC000621684215 370433737 /nfs/dbraw/zinc/43/37/37/370433737.db2.gz JCXFHPVEGJXXHP-FXPVBKGRSA-N 2 1 241.360 -0.011 20 0 BBADMP [NH3+][C@@]12CCC[C@H]1CN(C(=O)[C@H]1CSC[NH2+]1)C2 ZINC000621684216 370433786 /nfs/dbraw/zinc/43/37/86/370433786.db2.gz JCXFHPVEGJXXHP-IQJOONFLSA-N 2 1 241.360 -0.011 20 0 BBADMP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@H]1CSC[NH2+]1)C2 ZINC000621684217 370433973 /nfs/dbraw/zinc/43/39/73/370433973.db2.gz JCXFHPVEGJXXHP-KKZNHRDASA-N 2 1 241.360 -0.011 20 0 BBADMP [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@H]1CSC[NH2+]1)C2 ZINC000621684218 370434004 /nfs/dbraw/zinc/43/40/04/370434004.db2.gz JCXFHPVEGJXXHP-NGZCFLSTSA-N 2 1 241.360 -0.011 20 0 BBADMP [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@@H]1CSC[NH2+]1)C2 ZINC000621684219 370433817 /nfs/dbraw/zinc/43/38/17/370433817.db2.gz JCXFHPVEGJXXHP-QXEWZRGKSA-N 2 1 241.360 -0.011 20 0 BBADMP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@@H]1CSC[NH2+]1)C2 ZINC000621684220 370433966 /nfs/dbraw/zinc/43/39/66/370433966.db2.gz JCXFHPVEGJXXHP-YWVKMMECSA-N 2 1 241.360 -0.011 20 0 BBADMP CCn1cc(CC[N@@H+](C)C[C@H](O)C[NH3+])cn1 ZINC000621776398 370524071 /nfs/dbraw/zinc/52/40/71/370524071.db2.gz KINPIVIDYXOVOO-LLVKDONJSA-N 2 1 226.324 -0.303 20 0 BBADMP CCn1cc(CC[N@@H+](C)C[C@@H](O)C[NH3+])cn1 ZINC000621776399 370524113 /nfs/dbraw/zinc/52/41/13/370524113.db2.gz KINPIVIDYXOVOO-NSHDSACASA-N 2 1 226.324 -0.303 20 0 BBADMP CN1CC[N@@H+](CCN2CC[NH2+]CC2)C(C)(C)C1 ZINC000621776435 343899063 /nfs/dbraw/zinc/89/90/63/343899063.db2.gz KXXWUMYFRFUHPX-UHFFFAOYSA-N 2 1 240.395 -0.082 20 0 BBADMP CN1CC[N@H+](CCN2CC[NH2+]CC2)C(C)(C)C1 ZINC000621776435 343899061 /nfs/dbraw/zinc/89/90/61/343899061.db2.gz KXXWUMYFRFUHPX-UHFFFAOYSA-N 2 1 240.395 -0.082 20 0 BBADMP C[N@H+]1CCN(CCN2CC[NH2+]CC2)C(C)(C)C1 ZINC000621776435 343899059 /nfs/dbraw/zinc/89/90/59/343899059.db2.gz KXXWUMYFRFUHPX-UHFFFAOYSA-N 2 1 240.395 -0.082 20 0 BBADMP CN1CC[N@@H+](CCOCC[NH3+])C(C)(C)C1 ZINC000621776551 370524229 /nfs/dbraw/zinc/52/42/29/370524229.db2.gz OJNQHOMADPBEEX-UHFFFAOYSA-N 2 1 215.341 -0.012 20 0 BBADMP CN1CC[N@H+](CCOCC[NH3+])C(C)(C)C1 ZINC000621776551 370524225 /nfs/dbraw/zinc/52/42/25/370524225.db2.gz OJNQHOMADPBEEX-UHFFFAOYSA-N 2 1 215.341 -0.012 20 0 BBADMP C[N@H+]1CCN(CCOCC[NH3+])C(C)(C)C1 ZINC000621776551 370524221 /nfs/dbraw/zinc/52/42/21/370524221.db2.gz OJNQHOMADPBEEX-UHFFFAOYSA-N 2 1 215.341 -0.012 20 0 BBADMP CCn1nccc1CC[N@@H+](C)C[C@H](O)C[NH3+] ZINC000621776746 370526460 /nfs/dbraw/zinc/52/64/60/370526460.db2.gz VHLDGFZTFOSZLV-LLVKDONJSA-N 2 1 226.324 -0.303 20 0 BBADMP CCn1nccc1CC[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000621776747 370526023 /nfs/dbraw/zinc/52/60/23/370526023.db2.gz VHLDGFZTFOSZLV-NSHDSACASA-N 2 1 226.324 -0.303 20 0 BBADMP [NH3+]CCOCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621784118 370535974 /nfs/dbraw/zinc/53/59/74/370535974.db2.gz KHHMDQQCWFODAI-GHMZBOCLSA-N 3 1 213.325 -0.225 20 0 BBADMP [NH3+]CCOCC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621784118 370535967 /nfs/dbraw/zinc/53/59/67/370535967.db2.gz KHHMDQQCWFODAI-GHMZBOCLSA-N 3 1 213.325 -0.225 20 0 BBADMP [NH3+]CCOCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621784119 370536437 /nfs/dbraw/zinc/53/64/37/370536437.db2.gz KHHMDQQCWFODAI-MNOVXSKESA-N 3 1 213.325 -0.225 20 0 BBADMP [NH3+]CCOCC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621784119 370536432 /nfs/dbraw/zinc/53/64/32/370536432.db2.gz KHHMDQQCWFODAI-MNOVXSKESA-N 3 1 213.325 -0.225 20 0 BBADMP [NH3+]CCOCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621784120 370535930 /nfs/dbraw/zinc/53/59/30/370535930.db2.gz KHHMDQQCWFODAI-QWRGUYRKSA-N 3 1 213.325 -0.225 20 0 BBADMP [NH3+]CCOCC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621784120 370535926 /nfs/dbraw/zinc/53/59/26/370535926.db2.gz KHHMDQQCWFODAI-QWRGUYRKSA-N 3 1 213.325 -0.225 20 0 BBADMP [NH3+]CCOCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621784121 370535798 /nfs/dbraw/zinc/53/57/98/370535798.db2.gz KHHMDQQCWFODAI-WDEREUQCSA-N 3 1 213.325 -0.225 20 0 BBADMP [NH3+]CCOCC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621784121 370535794 /nfs/dbraw/zinc/53/57/94/370535794.db2.gz KHHMDQQCWFODAI-WDEREUQCSA-N 3 1 213.325 -0.225 20 0 BBADMP [NH3+][C@]12CCC[C@@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC000621785057 370539091 /nfs/dbraw/zinc/53/90/91/370539091.db2.gz YTEWJQKICNUOQI-KKZNHRDASA-N 2 1 209.293 -0.312 20 0 BBADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+]([C@@H]1CCNC1=O)C2 ZINC000621785057 370539088 /nfs/dbraw/zinc/53/90/88/370539088.db2.gz YTEWJQKICNUOQI-KKZNHRDASA-N 2 1 209.293 -0.312 20 0 BBADMP [NH3+][C@]12CCC[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC000621785058 370539687 /nfs/dbraw/zinc/53/96/87/370539687.db2.gz YTEWJQKICNUOQI-NGZCFLSTSA-N 2 1 209.293 -0.312 20 0 BBADMP [NH3+][C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2 ZINC000621785058 370539683 /nfs/dbraw/zinc/53/96/83/370539683.db2.gz YTEWJQKICNUOQI-NGZCFLSTSA-N 2 1 209.293 -0.312 20 0 BBADMP [NH3+][C@]12CCC[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC000621785059 370539056 /nfs/dbraw/zinc/53/90/56/370539056.db2.gz YTEWJQKICNUOQI-QXEWZRGKSA-N 2 1 209.293 -0.312 20 0 BBADMP [NH3+][C@]12CCC[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2 ZINC000621785059 370539055 /nfs/dbraw/zinc/53/90/55/370539055.db2.gz YTEWJQKICNUOQI-QXEWZRGKSA-N 2 1 209.293 -0.312 20 0 BBADMP [NH3+][C@]12CCC[C@@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC000621785060 370539658 /nfs/dbraw/zinc/53/96/58/370539658.db2.gz YTEWJQKICNUOQI-YWVKMMECSA-N 2 1 209.293 -0.312 20 0 BBADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+]([C@H]1CCNC1=O)C2 ZINC000621785060 370539655 /nfs/dbraw/zinc/53/96/55/370539655.db2.gz YTEWJQKICNUOQI-YWVKMMECSA-N 2 1 209.293 -0.312 20 0 BBADMP Cc1[nH+]ccn1CC(=O)NCC[NH+](C)C ZINC000622274895 370816247 /nfs/dbraw/zinc/81/62/47/370816247.db2.gz FVLFNKJVAQVDCN-UHFFFAOYSA-N 2 1 210.281 -0.131 20 0 BBADMP C[NH+](C)CC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000622630310 345688729 /nfs/dbraw/zinc/68/87/29/345688729.db2.gz NMCDXNGZCNUXJT-LLVKDONJSA-N 2 1 243.351 -0.489 20 0 BBADMP C[NH+](C)CC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000622630310 345688724 /nfs/dbraw/zinc/68/87/24/345688724.db2.gz NMCDXNGZCNUXJT-LLVKDONJSA-N 2 1 243.351 -0.489 20 0 BBADMP C[NH+](C)CC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000622630311 345688562 /nfs/dbraw/zinc/68/85/62/345688562.db2.gz NMCDXNGZCNUXJT-NSHDSACASA-N 2 1 243.351 -0.489 20 0 BBADMP C[NH+](C)CC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000622630311 345688559 /nfs/dbraw/zinc/68/85/59/345688559.db2.gz NMCDXNGZCNUXJT-NSHDSACASA-N 2 1 243.351 -0.489 20 0 BBADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000622631105 345679169 /nfs/dbraw/zinc/67/91/69/345679169.db2.gz GGVKOZXTIHYZCS-LLVKDONJSA-N 2 1 243.351 -0.489 20 0 BBADMP CN(C)CC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000622631105 345679165 /nfs/dbraw/zinc/67/91/65/345679165.db2.gz GGVKOZXTIHYZCS-LLVKDONJSA-N 2 1 243.351 -0.489 20 0 BBADMP C[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000622631106 345679475 /nfs/dbraw/zinc/67/94/75/345679475.db2.gz GGVKOZXTIHYZCS-NSHDSACASA-N 2 1 243.351 -0.489 20 0 BBADMP CN(C)CC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000622631106 345679469 /nfs/dbraw/zinc/67/94/69/345679469.db2.gz GGVKOZXTIHYZCS-NSHDSACASA-N 2 1 243.351 -0.489 20 0 BBADMP C[NH+](C)C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000622721188 343574016 /nfs/dbraw/zinc/57/40/16/343574016.db2.gz GKHXGXYTXWUAMV-JTQLQIEISA-N 2 1 241.335 -0.473 20 0 BBADMP C[NH+](C)C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000622721188 343574013 /nfs/dbraw/zinc/57/40/13/343574013.db2.gz GKHXGXYTXWUAMV-JTQLQIEISA-N 2 1 241.335 -0.473 20 0 BBADMP C[NH+](C)C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000622721189 343573625 /nfs/dbraw/zinc/57/36/25/343573625.db2.gz GKHXGXYTXWUAMV-SNVBAGLBSA-N 2 1 241.335 -0.473 20 0 BBADMP C[NH+](C)C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000622721189 343573622 /nfs/dbraw/zinc/57/36/22/343573622.db2.gz GKHXGXYTXWUAMV-SNVBAGLBSA-N 2 1 241.335 -0.473 20 0 BBADMP Cc1c[nH+]cn1CC(=O)NCC[NH+](C)C ZINC000623370711 356876278 /nfs/dbraw/zinc/87/62/78/356876278.db2.gz XINHKTNXUUBWBF-UHFFFAOYSA-N 2 1 210.281 -0.131 20 0 BBADMP C[NH+]1CCC([NH2+][C@H]2C[C@H](C(N)=O)C2)CC1 ZINC000623663488 369087584 /nfs/dbraw/zinc/08/75/84/369087584.db2.gz MZQRRFLHWGOYSD-CZMCAQCFSA-N 2 1 211.309 -0.066 20 0 BBADMP C[NH+]1CCC(NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000623758324 356796571 /nfs/dbraw/zinc/79/65/71/356796571.db2.gz XEXOVKURDRLVDH-GFCCVEGCSA-N 2 1 227.352 -0.263 20 0 BBADMP C[NH+]1CCC(NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000623758324 356796569 /nfs/dbraw/zinc/79/65/69/356796569.db2.gz XEXOVKURDRLVDH-GFCCVEGCSA-N 2 1 227.352 -0.263 20 0 BBADMP C[NH+](C)CC(C)(C)CNc1nc(N)nc(N)[nH+]1 ZINC000623792003 363021067 /nfs/dbraw/zinc/02/10/67/363021067.db2.gz DBCZDOYBAIKSIC-UHFFFAOYSA-N 2 1 239.327 -0.882 20 0 BBADMP Nc1nc(N)[nH+]c(NCCC[NH+]2CCCC2)n1 ZINC000623812920 347068983 /nfs/dbraw/zinc/06/89/83/347068983.db2.gz UEVQVPXIIOUOKM-UHFFFAOYSA-N 2 1 237.311 -0.984 20 0 BBADMP C[NH+]1CCC(NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000623837078 342952194 /nfs/dbraw/zinc/95/21/94/342952194.db2.gz XEXOVKURDRLVDH-LBPRGKRZSA-N 2 1 227.352 -0.263 20 0 BBADMP C[NH+]1CCC(NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000623837078 342952192 /nfs/dbraw/zinc/95/21/92/342952192.db2.gz XEXOVKURDRLVDH-LBPRGKRZSA-N 2 1 227.352 -0.263 20 0 BBADMP Nc1nc(N)[nH+]c(NC[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000623851825 344115572 /nfs/dbraw/zinc/11/55/72/344115572.db2.gz IRMSNFANQCMXGR-SSDOTTSWSA-N 2 1 249.322 -0.985 20 0 BBADMP Nc1nc(N)[nH+]c(NC[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000623851825 344115570 /nfs/dbraw/zinc/11/55/70/344115570.db2.gz IRMSNFANQCMXGR-SSDOTTSWSA-N 2 1 249.322 -0.985 20 0 BBADMP Nc1nc(NC[C@H]2CC[N@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000623851825 344115567 /nfs/dbraw/zinc/11/55/67/344115567.db2.gz IRMSNFANQCMXGR-SSDOTTSWSA-N 2 1 249.322 -0.985 20 0 BBADMP Nc1nc(N)[nH+]c(NC[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000623851826 344115392 /nfs/dbraw/zinc/11/53/92/344115392.db2.gz IRMSNFANQCMXGR-ZETCQYMHSA-N 2 1 249.322 -0.985 20 0 BBADMP Nc1nc(N)[nH+]c(NC[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000623851826 344115389 /nfs/dbraw/zinc/11/53/89/344115389.db2.gz IRMSNFANQCMXGR-ZETCQYMHSA-N 2 1 249.322 -0.985 20 0 BBADMP Nc1nc(NC[C@@H]2CC[N@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000623851826 344115387 /nfs/dbraw/zinc/11/53/87/344115387.db2.gz IRMSNFANQCMXGR-ZETCQYMHSA-N 2 1 249.322 -0.985 20 0 BBADMP C[NH+](C)C1CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000623852003 344149715 /nfs/dbraw/zinc/14/97/15/344149715.db2.gz NGISNGNJJHQZRR-UHFFFAOYSA-N 2 1 237.311 -0.773 20 0 BBADMP CC(C)[N@@H+](C)CCCNc1nc(N)nc(N)[nH+]1 ZINC000623853148 344409294 /nfs/dbraw/zinc/40/92/94/344409294.db2.gz ODVLVOXJMNNQGR-UHFFFAOYSA-N 2 1 239.327 -0.739 20 0 BBADMP CC(C)[N@H+](C)CCCNc1nc(N)nc(N)[nH+]1 ZINC000623853148 344409292 /nfs/dbraw/zinc/40/92/92/344409292.db2.gz ODVLVOXJMNNQGR-UHFFFAOYSA-N 2 1 239.327 -0.739 20 0 BBADMP CC(C)[N@@H+](C)CCCNc1nc(N)[nH+]c(N)n1 ZINC000623853148 344409288 /nfs/dbraw/zinc/40/92/88/344409288.db2.gz ODVLVOXJMNNQGR-UHFFFAOYSA-N 2 1 239.327 -0.739 20 0 BBADMP Nc1nc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)nc(N)[nH+]1 ZINC000623862453 371132703 /nfs/dbraw/zinc/13/27/03/371132703.db2.gz UMBNVIRXXSKNHY-HTQZYQBOSA-N 2 1 249.322 -0.843 20 0 BBADMP Nc1nc(N[C@H]2CC[N@H+]3CCCC[C@H]23)nc(N)[nH+]1 ZINC000623862454 371132919 /nfs/dbraw/zinc/13/29/19/371132919.db2.gz UMBNVIRXXSKNHY-JGVFFNPUSA-N 2 1 249.322 -0.843 20 0 BBADMP Nc1nc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)nc(N)[nH+]1 ZINC000623862455 371132605 /nfs/dbraw/zinc/13/26/05/371132605.db2.gz UMBNVIRXXSKNHY-SFYZADRCSA-N 2 1 249.322 -0.843 20 0 BBADMP Nc1nc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)nc(N)[nH+]1 ZINC000623862456 371132514 /nfs/dbraw/zinc/13/25/14/371132514.db2.gz UMBNVIRXXSKNHY-YUMQZZPRSA-N 2 1 249.322 -0.843 20 0 BBADMP Nc1nc(N)[nH+]c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000623869084 371133887 /nfs/dbraw/zinc/13/38/87/371133887.db2.gz OITTULQHLLIIJB-HTQZYQBOSA-N 2 1 249.322 -0.843 20 0 BBADMP Nc1nc(N)[nH+]c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000623869084 371133885 /nfs/dbraw/zinc/13/38/85/371133885.db2.gz OITTULQHLLIIJB-HTQZYQBOSA-N 2 1 249.322 -0.843 20 0 BBADMP Nc1nc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc(N)[nH+]1 ZINC000623869084 371133880 /nfs/dbraw/zinc/13/38/80/371133880.db2.gz OITTULQHLLIIJB-HTQZYQBOSA-N 2 1 249.322 -0.843 20 0 BBADMP Nc1nc(N)[nH+]c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000623869085 371133999 /nfs/dbraw/zinc/13/39/99/371133999.db2.gz OITTULQHLLIIJB-JGVFFNPUSA-N 2 1 249.322 -0.843 20 0 BBADMP Nc1nc(N)[nH+]c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000623869085 371133998 /nfs/dbraw/zinc/13/39/98/371133998.db2.gz OITTULQHLLIIJB-JGVFFNPUSA-N 2 1 249.322 -0.843 20 0 BBADMP Nc1nc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)nc(N)[nH+]1 ZINC000623869085 371133997 /nfs/dbraw/zinc/13/39/97/371133997.db2.gz OITTULQHLLIIJB-JGVFFNPUSA-N 2 1 249.322 -0.843 20 0 BBADMP Nc1nc(N)[nH+]c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000623869086 371134351 /nfs/dbraw/zinc/13/43/51/371134351.db2.gz OITTULQHLLIIJB-SFYZADRCSA-N 2 1 249.322 -0.843 20 0 BBADMP Nc1nc(N)[nH+]c(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000623869086 371134343 /nfs/dbraw/zinc/13/43/43/371134343.db2.gz OITTULQHLLIIJB-SFYZADRCSA-N 2 1 249.322 -0.843 20 0 BBADMP Nc1nc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)nc(N)[nH+]1 ZINC000623869086 371134338 /nfs/dbraw/zinc/13/43/38/371134338.db2.gz OITTULQHLLIIJB-SFYZADRCSA-N 2 1 249.322 -0.843 20 0 BBADMP Nc1nc(N)[nH+]c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000623869087 371134525 /nfs/dbraw/zinc/13/45/25/371134525.db2.gz OITTULQHLLIIJB-YUMQZZPRSA-N 2 1 249.322 -0.843 20 0 BBADMP Nc1nc(N)[nH+]c(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000623869087 371134521 /nfs/dbraw/zinc/13/45/21/371134521.db2.gz OITTULQHLLIIJB-YUMQZZPRSA-N 2 1 249.322 -0.843 20 0 BBADMP Nc1nc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)nc(N)[nH+]1 ZINC000623869087 371134515 /nfs/dbraw/zinc/13/45/15/371134515.db2.gz OITTULQHLLIIJB-YUMQZZPRSA-N 2 1 249.322 -0.843 20 0 BBADMP CC[N@H+]1CCC[C@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC000623883682 352737072 /nfs/dbraw/zinc/73/70/72/352737072.db2.gz JUIUJZUDPQIEGW-ZETCQYMHSA-N 2 1 237.311 -0.985 20 0 BBADMP CC[N@@H+](CCNc1nc(N)[nH+]c(N)n1)C1CC1 ZINC000623928408 356876896 /nfs/dbraw/zinc/87/68/96/356876896.db2.gz OVYRFZUTKJFOML-UHFFFAOYSA-N 2 1 237.311 -0.985 20 0 BBADMP CC[C@@H](C)[N@@H+](C)CCNc1nc(N)[nH+]c(N)n1 ZINC000623932078 371160547 /nfs/dbraw/zinc/16/05/47/371160547.db2.gz YPSKUDSZKLVHIN-SSDOTTSWSA-N 2 1 239.327 -0.739 20 0 BBADMP CC[C@H](C)[N@@H+](C)CCNc1nc(N)[nH+]c(N)n1 ZINC000623932079 371160880 /nfs/dbraw/zinc/16/08/80/371160880.db2.gz YPSKUDSZKLVHIN-ZETCQYMHSA-N 2 1 239.327 -0.739 20 0 BBADMP CC[N@H+]1CCCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623955585 371195798 /nfs/dbraw/zinc/19/57/98/371195798.db2.gz FWPDGYQWFFMGQF-UHFFFAOYSA-N 2 1 237.311 -0.771 20 0 BBADMP Nc1nc(N[C@@H]2CC[N@@H+](CC3CC3)C2)nc(N)[nH+]1 ZINC000623955915 371196294 /nfs/dbraw/zinc/19/62/94/371196294.db2.gz OEOHVJMTTPESAZ-MRVPVSSYSA-N 2 1 249.322 -0.985 20 0 BBADMP Nc1nc(N[C@H]2CC[N@@H+](CC3CC3)C2)nc(N)[nH+]1 ZINC000623955916 371196027 /nfs/dbraw/zinc/19/60/27/371196027.db2.gz OEOHVJMTTPESAZ-QMMMGPOBSA-N 2 1 249.322 -0.985 20 0 BBADMP CCCC[N@@H+](C)CCNc1nc(N)[nH+]c(N)n1 ZINC000623965788 371202449 /nfs/dbraw/zinc/20/24/49/371202449.db2.gz VECGOTZPCHWHPE-UHFFFAOYSA-N 2 1 239.327 -0.738 20 0 BBADMP C[NH+](C)C[C@H]1CCN(c2nc(N)nc(N)[nH+]2)C1 ZINC000623970217 371206786 /nfs/dbraw/zinc/20/67/86/371206786.db2.gz ICXWWGJIEOSWEI-SSDOTTSWSA-N 2 1 237.311 -0.915 20 0 BBADMP C[NH+](C)C[C@@H]1CCN(c2nc(N)nc(N)[nH+]2)C1 ZINC000623970218 371206880 /nfs/dbraw/zinc/20/68/80/371206880.db2.gz ICXWWGJIEOSWEI-ZETCQYMHSA-N 2 1 237.311 -0.915 20 0 BBADMP C[C@H]1C[C@@H](Nc2nc(N)[nH+]c(N)n2)CC[N@H+]1C ZINC000623995278 370565346 /nfs/dbraw/zinc/56/53/46/370565346.db2.gz SPJPGGVAHIRCTC-BQBZGAKWSA-N 2 1 237.311 -0.987 20 0 BBADMP C[C@H]1C[C@H](Nc2nc(N)[nH+]c(N)n2)CC[N@H+]1C ZINC000623995279 370565196 /nfs/dbraw/zinc/56/51/96/370565196.db2.gz SPJPGGVAHIRCTC-NKWVEPMBSA-N 2 1 237.311 -0.987 20 0 BBADMP C[C@@H]1C[C@H](Nc2nc(N)[nH+]c(N)n2)CC[N@H+]1C ZINC000623995280 370565678 /nfs/dbraw/zinc/56/56/78/370565678.db2.gz SPJPGGVAHIRCTC-RNFRBKRXSA-N 2 1 237.311 -0.987 20 0 BBADMP C[C@@H]1C[C@@H](Nc2nc(N)[nH+]c(N)n2)CC[N@H+]1C ZINC000623995281 370565888 /nfs/dbraw/zinc/56/58/88/370565888.db2.gz SPJPGGVAHIRCTC-RQJHMYQMSA-N 2 1 237.311 -0.987 20 0 BBADMP CN(c1nc(N)[nH+]c(N)n1)[C@@H]1CCC[N@@H+](C)C1 ZINC000623996034 371229599 /nfs/dbraw/zinc/22/95/99/371229599.db2.gz QNTDAALJZAILPL-SSDOTTSWSA-N 2 1 237.311 -0.773 20 0 BBADMP CN(c1nc(N)[nH+]c(N)n1)[C@H]1CCC[N@@H+](C)C1 ZINC000623996035 371229726 /nfs/dbraw/zinc/22/97/26/371229726.db2.gz QNTDAALJZAILPL-ZETCQYMHSA-N 2 1 237.311 -0.773 20 0 BBADMP CCC[N@@H+](CC)CCNc1nc(N)[nH+]c(N)n1 ZINC000624014105 371248510 /nfs/dbraw/zinc/24/85/10/371248510.db2.gz RLKJGXNVQANMCJ-UHFFFAOYSA-N 2 1 239.327 -0.738 20 0 BBADMP C[C@H]1C[C@H](Nc2nc(N)[nH+]c(N)n2)C[N@H+]1C1CC1 ZINC000624027273 348009903 /nfs/dbraw/zinc/00/99/03/348009903.db2.gz NPGHGDGEZQJWDC-BQBZGAKWSA-N 2 1 249.322 -0.844 20 0 BBADMP C[C@H]1C[C@@H](Nc2nc(N)[nH+]c(N)n2)C[N@H+]1C1CC1 ZINC000624027274 348009774 /nfs/dbraw/zinc/00/97/74/348009774.db2.gz NPGHGDGEZQJWDC-NKWVEPMBSA-N 2 1 249.322 -0.844 20 0 BBADMP C[C@@H]1C[C@@H](Nc2nc(N)[nH+]c(N)n2)C[N@H+]1C1CC1 ZINC000624027275 348009991 /nfs/dbraw/zinc/00/99/91/348009991.db2.gz NPGHGDGEZQJWDC-RNFRBKRXSA-N 2 1 249.322 -0.844 20 0 BBADMP C[C@@H]1C[C@H](Nc2nc(N)[nH+]c(N)n2)C[N@H+]1C1CC1 ZINC000624027276 348009743 /nfs/dbraw/zinc/00/97/43/348009743.db2.gz NPGHGDGEZQJWDC-RQJHMYQMSA-N 2 1 249.322 -0.844 20 0 BBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1nc(N)[nH+]c(N)n1 ZINC000624033072 385717397 /nfs/dbraw/zinc/71/73/97/385717397.db2.gz UHFKYZBPMPDWKM-XPUUQOCRSA-N 2 1 249.322 -0.987 20 0 BBADMP Nc1nc(N)[nH+]c(N2CCC([NH2+]C3CC3)CC2)n1 ZINC000624050996 371278157 /nfs/dbraw/zinc/27/81/57/371278157.db2.gz OPGVWZKVJDTLKY-UHFFFAOYSA-N 2 1 249.322 -0.582 20 0 BBADMP C[N@H+]1CC[C@@H]2CCN(c3nc(N)[nH+]c(N)n3)[C@@H]2C1 ZINC000624090803 371301649 /nfs/dbraw/zinc/30/16/49/371301649.db2.gz IBEWWVRFGWWBPT-HTQZYQBOSA-N 2 1 249.322 -0.773 20 0 BBADMP C[N@H+]1CC[C@H]2CCN(c3nc(N)[nH+]c(N)n3)[C@@H]2C1 ZINC000624090804 371301620 /nfs/dbraw/zinc/30/16/20/371301620.db2.gz IBEWWVRFGWWBPT-JGVFFNPUSA-N 2 1 249.322 -0.773 20 0 BBADMP C[N@H+]1CC[C@@H]2CCN(c3nc(N)[nH+]c(N)n3)[C@H]2C1 ZINC000624090805 371302025 /nfs/dbraw/zinc/30/20/25/371302025.db2.gz IBEWWVRFGWWBPT-SFYZADRCSA-N 2 1 249.322 -0.773 20 0 BBADMP C[N@H+]1CC[C@H]2CCN(c3nc(N)[nH+]c(N)n3)[C@H]2C1 ZINC000624090806 371301584 /nfs/dbraw/zinc/30/15/84/371301584.db2.gz IBEWWVRFGWWBPT-YUMQZZPRSA-N 2 1 249.322 -0.773 20 0 BBADMP C[C@@H](Nc1nc(N)[nH+]c(N)n1)C1=CC[N@@H+](C)CC1 ZINC000624093236 371301859 /nfs/dbraw/zinc/30/18/59/371301859.db2.gz SADBBUCUKQKWHM-SSDOTTSWSA-N 2 1 249.322 -0.819 20 0 BBADMP C[C@H](Nc1nc(N)[nH+]c(N)n1)C1=CC[N@@H+](C)CC1 ZINC000624093237 371301790 /nfs/dbraw/zinc/30/17/90/371301790.db2.gz SADBBUCUKQKWHM-ZETCQYMHSA-N 2 1 249.322 -0.819 20 0 BBADMP CN(CC[N@@H+](C)C1CC1)c1nc(N)[nH+]c(N)n1 ZINC000624108071 371309175 /nfs/dbraw/zinc/30/91/75/371309175.db2.gz HEHRXQUQZFBZRI-UHFFFAOYSA-N 2 1 237.311 -0.773 20 0 BBADMP CCN(CCC[NH+](C)C)c1nc(N)nc(N)[nH+]1 ZINC000624150492 371347510 /nfs/dbraw/zinc/34/75/10/371347510.db2.gz KPGKHKXMJNLQRP-UHFFFAOYSA-N 2 1 239.327 -0.525 20 0 BBADMP CC(C)[N@H+](C)C[C@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000624231670 371419727 /nfs/dbraw/zinc/41/97/27/371419727.db2.gz GTNBPVJKNHZQFL-ZETCQYMHSA-N 2 1 239.327 -0.741 20 0 BBADMP CC(C)[N@H+](C)C[C@@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000624232609 371420089 /nfs/dbraw/zinc/42/00/89/371420089.db2.gz GTNBPVJKNHZQFL-SSDOTTSWSA-N 2 1 239.327 -0.741 20 0 BBADMP C[N@H+]1CC[C@@]2(CCN(c3nc(N)[nH+]c(N)n3)C2)C1 ZINC000624242517 371430369 /nfs/dbraw/zinc/43/03/69/371430369.db2.gz PXCRADSCJFPMQA-LLVKDONJSA-N 2 1 249.322 -0.771 20 0 BBADMP C[N@H+]1CC[C@]2(CCN(c3nc(N)[nH+]c(N)n3)C2)C1 ZINC000624242518 371429763 /nfs/dbraw/zinc/42/97/63/371429763.db2.gz PXCRADSCJFPMQA-NSHDSACASA-N 2 1 249.322 -0.771 20 0 BBADMP CN(C[C@H]1CCC[N@H+]1C)c1nc(N)[nH+]c(N)n1 ZINC000624288412 371458739 /nfs/dbraw/zinc/45/87/39/371458739.db2.gz KNVSJDXYQGJHIL-SSDOTTSWSA-N 2 1 237.311 -0.773 20 0 BBADMP CN(C[C@@H]1CCC[N@H+]1C)c1nc(N)[nH+]c(N)n1 ZINC000624288413 371458496 /nfs/dbraw/zinc/45/84/96/371458496.db2.gz KNVSJDXYQGJHIL-ZETCQYMHSA-N 2 1 237.311 -0.773 20 0 BBADMP C[N@H+]1C[C@@H]2CCCN(c3nc(N)[nH+]c(N)n3)[C@@H]2C1 ZINC000624296103 371461751 /nfs/dbraw/zinc/46/17/51/371461751.db2.gz PEOJHBAWNSTMMZ-JGVFFNPUSA-N 2 1 249.322 -0.773 20 0 BBADMP CCC[N@H+]1CC[C@@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC000624407804 343757412 /nfs/dbraw/zinc/75/74/12/343757412.db2.gz SMTOVOULZLKIHP-SSDOTTSWSA-N 2 1 237.311 -0.985 20 0 BBADMP CCC[N@H+]1CC[C@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC000624407805 343757347 /nfs/dbraw/zinc/75/73/47/343757347.db2.gz SMTOVOULZLKIHP-ZETCQYMHSA-N 2 1 237.311 -0.985 20 0 BBADMP C[N@H+]1CCCC[C@H]1CC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000625712429 384393760 /nfs/dbraw/zinc/39/37/60/384393760.db2.gz SHEBQXFFPDYAKS-SRVKXCTJSA-N 2 1 228.336 -0.102 20 0 BBADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000625712429 384393755 /nfs/dbraw/zinc/39/37/55/384393755.db2.gz SHEBQXFFPDYAKS-SRVKXCTJSA-N 2 1 228.336 -0.102 20 0 BBADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000625712918 344051323 /nfs/dbraw/zinc/05/13/23/344051323.db2.gz AWKSMWSXKHPDEU-DCAQKATOSA-N 2 1 214.309 -0.492 20 0 BBADMP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000625712918 344051320 /nfs/dbraw/zinc/05/13/20/344051320.db2.gz AWKSMWSXKHPDEU-DCAQKATOSA-N 2 1 214.309 -0.492 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039422 344690094 /nfs/dbraw/zinc/69/00/94/344690094.db2.gz CBMJOZVGYRSLFE-AXFHLTTASA-N 2 1 243.351 -0.505 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039422 344690093 /nfs/dbraw/zinc/69/00/93/344690093.db2.gz CBMJOZVGYRSLFE-AXFHLTTASA-N 2 1 243.351 -0.505 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039422 344690092 /nfs/dbraw/zinc/69/00/92/344690092.db2.gz CBMJOZVGYRSLFE-AXFHLTTASA-N 2 1 243.351 -0.505 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039422 344690091 /nfs/dbraw/zinc/69/00/91/344690091.db2.gz CBMJOZVGYRSLFE-AXFHLTTASA-N 2 1 243.351 -0.505 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039423 344689984 /nfs/dbraw/zinc/68/99/84/344689984.db2.gz CBMJOZVGYRSLFE-OUAUKWLOSA-N 2 1 243.351 -0.505 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039423 344689982 /nfs/dbraw/zinc/68/99/82/344689982.db2.gz CBMJOZVGYRSLFE-OUAUKWLOSA-N 2 1 243.351 -0.505 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039423 344689980 /nfs/dbraw/zinc/68/99/80/344689980.db2.gz CBMJOZVGYRSLFE-OUAUKWLOSA-N 2 1 243.351 -0.505 20 0 BBADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039423 344689978 /nfs/dbraw/zinc/68/99/78/344689978.db2.gz CBMJOZVGYRSLFE-OUAUKWLOSA-N 2 1 243.351 -0.505 20 0 BBADMP Cc1[nH+]ccn1CCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000626961359 363046970 /nfs/dbraw/zinc/04/69/70/363046970.db2.gz ZRLZDPVYDUHWFB-SNVBAGLBSA-N 2 1 237.307 -0.147 20 0 BBADMP CCN(CC[NH3+])C(=O)NCC[N@@H+](C)CCOC ZINC000626965527 363065796 /nfs/dbraw/zinc/06/57/96/363065796.db2.gz ITBVVFBPWFBNMP-UHFFFAOYSA-N 2 1 246.355 -0.445 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000626965582 363066407 /nfs/dbraw/zinc/06/64/07/363066407.db2.gz JHYIETYHRXCMBQ-SNVBAGLBSA-N 2 1 244.339 -0.774 20 0 BBADMP O=C(N[C@@H]1CC[NH2+]C1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000626979297 388457456 /nfs/dbraw/zinc/45/74/56/388457456.db2.gz WFLPRBMQFYMCLL-NXEZZACHSA-N 2 1 238.335 -0.116 20 0 BBADMP O=C(N[C@@H]1CC[NH2+]C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000626979298 388457504 /nfs/dbraw/zinc/45/75/04/388457504.db2.gz WFLPRBMQFYMCLL-ZJUUUORDSA-N 2 1 238.335 -0.116 20 0 BBADMP C[NH2+]CCNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000627072030 363201991 /nfs/dbraw/zinc/20/19/91/363201991.db2.gz OBSIVEJFPJOIFD-SECBINFHSA-N 2 1 214.313 -0.401 20 0 BBADMP C[NH2+]CCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000627072032 363202145 /nfs/dbraw/zinc/20/21/45/363202145.db2.gz OBSIVEJFPJOIFD-VIFPVBQESA-N 2 1 214.313 -0.401 20 0 BBADMP CC(C)([NH3+])CNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627077751 363219144 /nfs/dbraw/zinc/21/91/44/363219144.db2.gz AQPADMPBAIGICH-SECBINFHSA-N 2 1 244.339 -0.911 20 0 BBADMP CC(C)([NH3+])CNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627077752 363218524 /nfs/dbraw/zinc/21/85/24/363218524.db2.gz AQPADMPBAIGICH-VIFPVBQESA-N 2 1 244.339 -0.911 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627084018 363233467 /nfs/dbraw/zinc/23/34/67/363233467.db2.gz AZLNSPQAJRBZJV-ZCFIWIBFSA-N 2 1 222.239 -0.759 20 0 BBADMP C[C@H](C[NH3+])NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000627084674 363237695 /nfs/dbraw/zinc/23/76/95/363237695.db2.gz LMBZRHUFOHKKBW-RKDXNWHRSA-N 2 1 214.313 -0.273 20 0 BBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC(F)(F)C[NH3+] ZINC000627084678 363237877 /nfs/dbraw/zinc/23/78/77/363237877.db2.gz LXGNFCJGYMPVJB-NKWVEPMBSA-N 2 1 236.266 -0.370 20 0 BBADMP C[C@H](C[NH3+])NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000627085328 363236774 /nfs/dbraw/zinc/23/67/74/363236774.db2.gz LMBZRHUFOHKKBW-BDAKNGLRSA-N 2 1 214.313 -0.273 20 0 BBADMP CCN(CC[NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000627085437 363236385 /nfs/dbraw/zinc/23/63/85/363236385.db2.gz ZUDWJBVFCRYOEU-UHFFFAOYSA-N 2 1 224.255 -0.429 20 0 BBADMP C[C@H]([NH3+])CNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000627088801 363242512 /nfs/dbraw/zinc/24/25/12/363242512.db2.gz IZFTXERUHTUFTQ-DTWKUNHWSA-N 2 1 214.313 -0.273 20 0 BBADMP C[C@@H]([NH3+])CNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000627088802 363242243 /nfs/dbraw/zinc/24/22/43/363242243.db2.gz IZFTXERUHTUFTQ-RKDXNWHRSA-N 2 1 214.313 -0.273 20 0 BBADMP C[C@@H]([NH3+])CNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000627089333 363242403 /nfs/dbraw/zinc/24/24/03/363242403.db2.gz IZFTXERUHTUFTQ-BDAKNGLRSA-N 2 1 214.313 -0.273 20 0 BBADMP C[C@H]([NH3+])CNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000627089334 363242421 /nfs/dbraw/zinc/24/24/21/363242421.db2.gz IZFTXERUHTUFTQ-IUCAKERBSA-N 2 1 214.313 -0.273 20 0 BBADMP CC[C@@H]([NH3+])CNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627097531 363258317 /nfs/dbraw/zinc/25/83/17/363258317.db2.gz JMFCFRCVBLUOLH-NXEZZACHSA-N 2 1 244.339 -0.911 20 0 BBADMP CC[C@H]([NH3+])CNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627097532 363258608 /nfs/dbraw/zinc/25/86/08/363258608.db2.gz JMFCFRCVBLUOLH-UWVGGRQHSA-N 2 1 244.339 -0.911 20 0 BBADMP CC[C@H]([NH3+])CNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627097533 363258392 /nfs/dbraw/zinc/25/83/92/363258392.db2.gz JMFCFRCVBLUOLH-VHSXEESVSA-N 2 1 244.339 -0.911 20 0 BBADMP CC[C@@H]([NH3+])CNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627097534 363258732 /nfs/dbraw/zinc/25/87/32/363258732.db2.gz JMFCFRCVBLUOLH-ZJUUUORDSA-N 2 1 244.339 -0.911 20 0 BBADMP C[C@@H](NC(=O)NCC[N@H+]1CC[C@H](O)C1)[C@H](C)[NH3+] ZINC000627098395 363259743 /nfs/dbraw/zinc/25/97/43/363259743.db2.gz UNWFFPGTSMXSBV-AEJSXWLSSA-N 2 1 244.339 -0.912 20 0 BBADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627098396 363259196 /nfs/dbraw/zinc/25/91/96/363259196.db2.gz UNWFFPGTSMXSBV-BBBLOLIVSA-N 2 1 244.339 -0.912 20 0 BBADMP C[C@H]([NH3+])[C@H](C)NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627098397 363259389 /nfs/dbraw/zinc/25/93/89/363259389.db2.gz UNWFFPGTSMXSBV-GUBZILKMSA-N 2 1 244.339 -0.912 20 0 BBADMP C[C@@H](NC(=O)NCC[N@H+]1CC[C@@H](O)C1)[C@H](C)[NH3+] ZINC000627098398 363259727 /nfs/dbraw/zinc/25/97/27/363259727.db2.gz UNWFFPGTSMXSBV-IVZWLZJFSA-N 2 1 244.339 -0.912 20 0 BBADMP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627098399 363259651 /nfs/dbraw/zinc/25/96/51/363259651.db2.gz UNWFFPGTSMXSBV-KXUCPTDWSA-N 2 1 244.339 -0.912 20 0 BBADMP C[C@H]([NH3+])[C@H](C)NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627098400 363259424 /nfs/dbraw/zinc/25/94/24/363259424.db2.gz UNWFFPGTSMXSBV-LPEHRKFASA-N 2 1 244.339 -0.912 20 0 BBADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627098401 363259533 /nfs/dbraw/zinc/25/95/33/363259533.db2.gz UNWFFPGTSMXSBV-OPRDCNLKSA-N 2 1 244.339 -0.912 20 0 BBADMP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627098402 363258885 /nfs/dbraw/zinc/25/88/85/363258885.db2.gz UNWFFPGTSMXSBV-UTLUCORTSA-N 2 1 244.339 -0.912 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000627135017 363351538 /nfs/dbraw/zinc/35/15/38/363351538.db2.gz PRWWLEXZHXEFHX-NXEZZACHSA-N 2 1 226.324 -0.177 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH3+])C1 ZINC000627135018 363351292 /nfs/dbraw/zinc/35/12/92/363351292.db2.gz PRWWLEXZHXEFHX-VHSXEESVSA-N 2 1 226.324 -0.177 20 0 BBADMP CN(CC[NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000627135366 363355117 /nfs/dbraw/zinc/35/51/17/363355117.db2.gz SQFJZOPGMTTYLA-SECBINFHSA-N 2 1 214.313 -0.319 20 0 BBADMP C[NH2+]CCOCCNC(=O)N1CC[NH+](C)CC1 ZINC000627178972 363427278 /nfs/dbraw/zinc/42/72/78/363427278.db2.gz GQRWEWYUHKUHJU-UHFFFAOYSA-N 2 1 244.339 -0.821 20 0 BBADMP C[NH+]1CCN(C(=O)NCCOCCC[NH3+])CC1 ZINC000627208079 363504750 /nfs/dbraw/zinc/50/47/50/363504750.db2.gz HCISKWZMFBZBPY-UHFFFAOYSA-N 2 1 244.339 -0.691 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@H]([NH3+])C1 ZINC000627226705 363555539 /nfs/dbraw/zinc/55/55/39/363555539.db2.gz PRWWLEXZHXEFHX-UWVGGRQHSA-N 2 1 226.324 -0.177 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000627226706 363555216 /nfs/dbraw/zinc/55/52/16/363555216.db2.gz PRWWLEXZHXEFHX-ZJUUUORDSA-N 2 1 226.324 -0.177 20 0 BBADMP CN(CC[NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000627226846 363555318 /nfs/dbraw/zinc/55/53/18/363555318.db2.gz SQFJZOPGMTTYLA-VIFPVBQESA-N 2 1 214.313 -0.319 20 0 BBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+](C)CC1 ZINC000627236060 363725166 /nfs/dbraw/zinc/72/51/66/363725166.db2.gz FITKGEDZPBMMQD-VHSXEESVSA-N 2 1 226.324 -0.306 20 0 BBADMP C[N@@H+]1CC=C(CNC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627249831 363864004 /nfs/dbraw/zinc/86/40/04/363864004.db2.gz HVIFBVDUFFVBNQ-LLVKDONJSA-N 2 1 238.335 -0.091 20 0 BBADMP C[N@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CC[NH2+]C3)C[C@@H]21 ZINC000627252025 363876217 /nfs/dbraw/zinc/87/62/17/363876217.db2.gz IXWZZAROEWGVTQ-MXWKQRLJSA-N 2 1 238.335 -0.306 20 0 BBADMP Cc1c[nH+]cn1CC(=O)N[C@H](CO)C[NH+](C)C ZINC000627275454 364672227 /nfs/dbraw/zinc/67/22/27/364672227.db2.gz KUBLIOUWDKJVRV-JTQLQIEISA-N 2 1 240.307 -0.770 20 0 BBADMP Cc1c[nH+]cn1CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000627275455 364672302 /nfs/dbraw/zinc/67/23/02/364672302.db2.gz KUBLIOUWDKJVRV-SNVBAGLBSA-N 2 1 240.307 -0.770 20 0 BBADMP OCC[NH+](CCO)[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000628369605 355875940 /nfs/dbraw/zinc/87/59/40/355875940.db2.gz LHLUWJORJGLNHT-NEPJUHHUSA-N 2 1 228.336 -0.100 20 0 BBADMP OCC[NH+](CCO)[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000628369606 355875684 /nfs/dbraw/zinc/87/56/84/355875684.db2.gz LHLUWJORJGLNHT-NWDGAFQWSA-N 2 1 228.336 -0.100 20 0 BBADMP OCC[NH+](CCO)[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000628369607 355876062 /nfs/dbraw/zinc/87/60/62/355876062.db2.gz LHLUWJORJGLNHT-RYUDHWBXSA-N 2 1 228.336 -0.100 20 0 BBADMP OCC[NH+](CCO)[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000628369608 355875855 /nfs/dbraw/zinc/87/58/55/355875855.db2.gz LHLUWJORJGLNHT-VXGBXAGGSA-N 2 1 228.336 -0.100 20 0 BBADMP CC[NH+]1CCC([NH+](CCO)CCO)CC1 ZINC000628369934 355878204 /nfs/dbraw/zinc/87/82/04/355878204.db2.gz LCAFJDDRJWZVIY-UHFFFAOYSA-N 2 1 216.325 -0.243 20 0 BBADMP C[NH+]1CC[C@@H](C(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000629166834 360916535 /nfs/dbraw/zinc/91/65/35/360916535.db2.gz DBKUUNFEQPHCQP-GHMZBOCLSA-N 2 1 241.335 -0.879 20 0 BBADMP C[NH+]1CC[C@H](C(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000629166841 360916462 /nfs/dbraw/zinc/91/64/62/360916462.db2.gz DBKUUNFEQPHCQP-WDEREUQCSA-N 2 1 241.335 -0.879 20 0 BBADMP C[NH+]1CC[C@H](C(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000629166841 360916457 /nfs/dbraw/zinc/91/64/57/360916457.db2.gz DBKUUNFEQPHCQP-WDEREUQCSA-N 2 1 241.335 -0.879 20 0 BBADMP C[C@@H](C(=O)NCC[N@H+]1CC[C@@H](O)C1)[NH+](C)C ZINC000629172237 360921694 /nfs/dbraw/zinc/92/16/94/360921694.db2.gz BMMWUBOIVLEFDW-VHSXEESVSA-N 2 1 229.324 -0.881 20 0 BBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000629173090 360922147 /nfs/dbraw/zinc/92/21/47/360922147.db2.gz CGOCEGBMMYIXBM-GHMZBOCLSA-N 2 1 241.335 -0.737 20 0 BBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000629173091 360921331 /nfs/dbraw/zinc/92/13/31/360921331.db2.gz CGOCEGBMMYIXBM-MNOVXSKESA-N 2 1 241.335 -0.737 20 0 BBADMP CCC[N@@H+](C)CC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000629173505 360921350 /nfs/dbraw/zinc/92/13/50/360921350.db2.gz HOLUFWSWNUIOCA-LLVKDONJSA-N 2 1 243.351 -0.489 20 0 BBADMP CC[NH+](CC)CC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629174308 360923160 /nfs/dbraw/zinc/92/31/60/360923160.db2.gz NORGZEYJMOIQLB-LLVKDONJSA-N 2 1 243.351 -0.489 20 0 BBADMP CC(C)[NH+](C)CC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629174755 360920527 /nfs/dbraw/zinc/92/05/27/360920527.db2.gz HGDBPXOZOTULBA-LLVKDONJSA-N 2 1 243.351 -0.491 20 0 BBADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629174755 360920520 /nfs/dbraw/zinc/92/05/20/360920520.db2.gz HGDBPXOZOTULBA-LLVKDONJSA-N 2 1 243.351 -0.491 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000629174755 360920515 /nfs/dbraw/zinc/92/05/15/360920515.db2.gz HGDBPXOZOTULBA-LLVKDONJSA-N 2 1 243.351 -0.491 20 0 BBADMP CC[C@H](C(=O)NCC[N@H+]1CC[C@@H](O)C1)[NH+](C)C ZINC000629174786 360920235 /nfs/dbraw/zinc/92/02/35/360920235.db2.gz XKKYLUMVXWTQKO-GHMZBOCLSA-N 2 1 243.351 -0.491 20 0 BBADMP CC[C@@H](C(=O)NCC[N@H+]1CC[C@@H](O)C1)[NH+](C)C ZINC000629174788 360920255 /nfs/dbraw/zinc/92/02/55/360920255.db2.gz XKKYLUMVXWTQKO-MNOVXSKESA-N 2 1 243.351 -0.491 20 0 BBADMP C[NH2+]CCOCC[NH2+]C1CC[NH+](C)CC1 ZINC000629392537 361041325 /nfs/dbraw/zinc/04/13/25/361041325.db2.gz QTPGOHHXKYOVKK-UHFFFAOYSA-N 3 1 215.341 -0.094 20 0 BBADMP NC(=O)C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000629504727 361099922 /nfs/dbraw/zinc/09/99/22/361099922.db2.gz APXMWUOUWFGNEM-LLVKDONJSA-N 2 1 241.335 -0.438 20 0 BBADMP NC(=O)C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000629504728 361099895 /nfs/dbraw/zinc/09/98/95/361099895.db2.gz APXMWUOUWFGNEM-NSHDSACASA-N 2 1 241.335 -0.438 20 0 BBADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000629523899 361121269 /nfs/dbraw/zinc/12/12/69/361121269.db2.gz LDBIHUFPVFPGQN-AATLWQCWSA-N 2 1 211.309 -0.162 20 0 BBADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000629523900 361121650 /nfs/dbraw/zinc/12/16/50/361121650.db2.gz LDBIHUFPVFPGQN-KYXWUPHJSA-N 2 1 211.309 -0.162 20 0 BBADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000629523901 361121707 /nfs/dbraw/zinc/12/17/07/361121707.db2.gz LDBIHUFPVFPGQN-XKNYDFJKSA-N 2 1 211.309 -0.162 20 0 BBADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000629523902 361122119 /nfs/dbraw/zinc/12/21/19/361122119.db2.gz LDBIHUFPVFPGQN-ZYUZMQFOSA-N 2 1 211.309 -0.162 20 0 BBADMP C[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)[C@H]1CCC[NH2+]1 ZINC000629524730 361125737 /nfs/dbraw/zinc/12/57/37/361125737.db2.gz VLVXTGIGTGIZEM-AATLWQCWSA-N 2 1 211.309 -0.020 20 0 BBADMP C[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000629524731 361126077 /nfs/dbraw/zinc/12/60/77/361126077.db2.gz VLVXTGIGTGIZEM-KYXWUPHJSA-N 2 1 211.309 -0.020 20 0 BBADMP C[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000629524732 361125514 /nfs/dbraw/zinc/12/55/14/361125514.db2.gz VLVXTGIGTGIZEM-XKNYDFJKSA-N 2 1 211.309 -0.020 20 0 BBADMP C[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)[C@H]1CCC[NH2+]1 ZINC000629524733 361125999 /nfs/dbraw/zinc/12/59/99/361125999.db2.gz VLVXTGIGTGIZEM-ZYUZMQFOSA-N 2 1 211.309 -0.020 20 0 BBADMP C[NH2+]CCOCC[NH2+][C@@H]1CNCC[C@H]1C ZINC000629531248 491078285 /nfs/dbraw/zinc/07/82/85/491078285.db2.gz FULCAFRZNGCAJS-GHMZBOCLSA-N 2 1 215.341 -0.190 20 0 BBADMP C[NH2+]CCOCC[NH2+][C@H]1CNCC[C@H]1C ZINC000629531249 491078301 /nfs/dbraw/zinc/07/83/01/491078301.db2.gz FULCAFRZNGCAJS-MNOVXSKESA-N 2 1 215.341 -0.190 20 0 BBADMP C[NH2+]CCOCC[NH2+][C@H]1CNCC[C@@H]1C ZINC000629531250 491078321 /nfs/dbraw/zinc/07/83/21/491078321.db2.gz FULCAFRZNGCAJS-QWRGUYRKSA-N 2 1 215.341 -0.190 20 0 BBADMP C[NH2+]CCOCC[NH2+][C@@H]1CNCC[C@@H]1C ZINC000629531251 491078327 /nfs/dbraw/zinc/07/83/27/491078327.db2.gz FULCAFRZNGCAJS-WDEREUQCSA-N 2 1 215.341 -0.190 20 0 BBADMP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@H]1N ZINC000629531606 361149225 /nfs/dbraw/zinc/14/92/25/361149225.db2.gz QWWQBLAKTRFZJO-NXEZZACHSA-N 2 1 201.314 -0.308 20 0 BBADMP C[NH2+]CCOCCN[C@@H]1CCC[C@H]1[NH3+] ZINC000629531606 361149221 /nfs/dbraw/zinc/14/92/21/361149221.db2.gz QWWQBLAKTRFZJO-NXEZZACHSA-N 2 1 201.314 -0.308 20 0 BBADMP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@@H]1N ZINC000629531607 361149357 /nfs/dbraw/zinc/14/93/57/361149357.db2.gz QWWQBLAKTRFZJO-UWVGGRQHSA-N 2 1 201.314 -0.308 20 0 BBADMP C[NH2+]CCOCCN[C@H]1CCC[C@@H]1[NH3+] ZINC000629531607 361149354 /nfs/dbraw/zinc/14/93/54/361149354.db2.gz QWWQBLAKTRFZJO-UWVGGRQHSA-N 2 1 201.314 -0.308 20 0 BBADMP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H]1N ZINC000629531608 361148735 /nfs/dbraw/zinc/14/87/35/361148735.db2.gz QWWQBLAKTRFZJO-VHSXEESVSA-N 2 1 201.314 -0.308 20 0 BBADMP C[NH2+]CCOCCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000629531608 361148732 /nfs/dbraw/zinc/14/87/32/361148732.db2.gz QWWQBLAKTRFZJO-VHSXEESVSA-N 2 1 201.314 -0.308 20 0 BBADMP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@H]1N ZINC000629531609 361149195 /nfs/dbraw/zinc/14/91/95/361149195.db2.gz QWWQBLAKTRFZJO-ZJUUUORDSA-N 2 1 201.314 -0.308 20 0 BBADMP C[NH2+]CCOCCN[C@H]1CCC[C@H]1[NH3+] ZINC000629531609 361149189 /nfs/dbraw/zinc/14/91/89/361149189.db2.gz QWWQBLAKTRFZJO-ZJUUUORDSA-N 2 1 201.314 -0.308 20 0 BBADMP C[NH2+]CCOCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000629531782 361149165 /nfs/dbraw/zinc/14/91/65/361149165.db2.gz XXVIETVCCYLTQJ-GHMZBOCLSA-N 3 1 215.341 -0.048 20 0 BBADMP C[NH2+]CCOCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000629531783 361149183 /nfs/dbraw/zinc/14/91/83/361149183.db2.gz XXVIETVCCYLTQJ-MNOVXSKESA-N 3 1 215.341 -0.048 20 0 BBADMP C[NH2+]CCOCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000629531784 361148856 /nfs/dbraw/zinc/14/88/56/361148856.db2.gz XXVIETVCCYLTQJ-QWRGUYRKSA-N 3 1 215.341 -0.048 20 0 BBADMP C[NH2+]CCOCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000629531785 361150053 /nfs/dbraw/zinc/15/00/53/361150053.db2.gz XXVIETVCCYLTQJ-WDEREUQCSA-N 3 1 215.341 -0.048 20 0 BBADMP N[C@@H]1CCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629535079 361408887 /nfs/dbraw/zinc/40/88/87/361408887.db2.gz BGIWSARVBKNPNP-NXEZZACHSA-N 2 1 201.314 -0.179 20 0 BBADMP [NH3+]CCCOCCN[C@@H]1CCC[C@H]1[NH3+] ZINC000629535079 361408882 /nfs/dbraw/zinc/40/88/82/361408882.db2.gz BGIWSARVBKNPNP-NXEZZACHSA-N 2 1 201.314 -0.179 20 0 BBADMP N[C@H]1CCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629535097 361408814 /nfs/dbraw/zinc/40/88/14/361408814.db2.gz BGIWSARVBKNPNP-UWVGGRQHSA-N 2 1 201.314 -0.179 20 0 BBADMP [NH3+]CCCOCCN[C@H]1CCC[C@@H]1[NH3+] ZINC000629535097 361408810 /nfs/dbraw/zinc/40/88/10/361408810.db2.gz BGIWSARVBKNPNP-UWVGGRQHSA-N 2 1 201.314 -0.179 20 0 BBADMP N[C@H]1CCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629535098 361408941 /nfs/dbraw/zinc/40/89/41/361408941.db2.gz BGIWSARVBKNPNP-VHSXEESVSA-N 2 1 201.314 -0.179 20 0 BBADMP [NH3+]CCCOCCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000629535098 361408938 /nfs/dbraw/zinc/40/89/38/361408938.db2.gz BGIWSARVBKNPNP-VHSXEESVSA-N 2 1 201.314 -0.179 20 0 BBADMP N[C@@H]1CCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629535100 361408269 /nfs/dbraw/zinc/40/82/69/361408269.db2.gz BGIWSARVBKNPNP-ZJUUUORDSA-N 2 1 201.314 -0.179 20 0 BBADMP [NH3+]CCCOCCN[C@H]1CCC[C@H]1[NH3+] ZINC000629535100 361408264 /nfs/dbraw/zinc/40/82/64/361408264.db2.gz BGIWSARVBKNPNP-ZJUUUORDSA-N 2 1 201.314 -0.179 20 0 BBADMP CC(C)(C)[C@H](CN)[NH2+]CC(=O)N1CCOCC1 ZINC000629535883 361412067 /nfs/dbraw/zinc/41/20/67/361412067.db2.gz HRLLJCVPOHHTBI-JTQLQIEISA-N 2 1 243.351 -0.192 20 0 BBADMP CC(C)(C)[C@@H](CN)[NH2+]CC(=O)N1CCOCC1 ZINC000629535945 361410823 /nfs/dbraw/zinc/41/08/23/361410823.db2.gz HRLLJCVPOHHTBI-SNVBAGLBSA-N 2 1 243.351 -0.192 20 0 BBADMP C[C@@H]1CCNC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629538743 361403924 /nfs/dbraw/zinc/40/39/24/361403924.db2.gz ONFMQLYBRNNHAE-GHMZBOCLSA-N 2 1 215.341 -0.061 20 0 BBADMP C[C@@H]1CCNC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629538750 361403183 /nfs/dbraw/zinc/40/31/83/361403183.db2.gz ONFMQLYBRNNHAE-MNOVXSKESA-N 2 1 215.341 -0.061 20 0 BBADMP C[C@H]1CCNC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629538753 361403963 /nfs/dbraw/zinc/40/39/63/361403963.db2.gz ONFMQLYBRNNHAE-QWRGUYRKSA-N 2 1 215.341 -0.061 20 0 BBADMP C[C@H]1CCNC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629538755 361403822 /nfs/dbraw/zinc/40/38/22/361403822.db2.gz ONFMQLYBRNNHAE-WDEREUQCSA-N 2 1 215.341 -0.061 20 0 BBADMP C[C@@H]1C[N@@H+](CC2(O)CCOCC2)C[C@H]1[NH3+] ZINC000629539416 361406006 /nfs/dbraw/zinc/40/60/06/361406006.db2.gz XPIFLDLPHBXOMC-NXEZZACHSA-N 2 1 214.309 -0.193 20 0 BBADMP C[C@@H]1C[N@H+](CC2(O)CCOCC2)C[C@H]1[NH3+] ZINC000629539416 361406002 /nfs/dbraw/zinc/40/60/02/361406002.db2.gz XPIFLDLPHBXOMC-NXEZZACHSA-N 2 1 214.309 -0.193 20 0 BBADMP [NH3+]CCCOCCNC1CC[NH2+]CC1 ZINC000629540094 361414231 /nfs/dbraw/zinc/41/42/31/361414231.db2.gz TXMOBJVBPQESAL-UHFFFAOYSA-N 2 1 201.314 -0.307 20 0 BBADMP O[C@@H]1CCN(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000629544171 361414597 /nfs/dbraw/zinc/41/45/97/361414597.db2.gz HRMGTQCTFGYMHU-ZGVCCVRISA-N 2 1 239.363 -0.074 20 0 BBADMP O[C@@H]1CC[N@@H+](CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000629544171 361414596 /nfs/dbraw/zinc/41/45/96/361414596.db2.gz HRMGTQCTFGYMHU-ZGVCCVRISA-N 2 1 239.363 -0.074 20 0 BBADMP [NH3+]C[C@H]1CCC[C@H]1NCC[N@H+]1CC[C@@H](O)C1 ZINC000629544457 361423494 /nfs/dbraw/zinc/42/34/94/361423494.db2.gz IOPWVNIROXWKMS-IJLUTSLNSA-N 2 1 227.352 -0.230 20 0 BBADMP [NH3+]C[C@H]1CCC[C@H]1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629544457 361423493 /nfs/dbraw/zinc/42/34/93/361423493.db2.gz IOPWVNIROXWKMS-IJLUTSLNSA-N 2 1 227.352 -0.230 20 0 BBADMP [NH3+]C[C@@H]1CCC[C@H]1NCC[N@H+]1CC[C@@H](O)C1 ZINC000629544458 361423599 /nfs/dbraw/zinc/42/35/99/361423599.db2.gz IOPWVNIROXWKMS-QJPTWQEYSA-N 2 1 227.352 -0.230 20 0 BBADMP [NH3+]C[C@@H]1CCC[C@H]1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629544458 361423594 /nfs/dbraw/zinc/42/35/94/361423594.db2.gz IOPWVNIROXWKMS-QJPTWQEYSA-N 2 1 227.352 -0.230 20 0 BBADMP [NH3+]C[C@@H]1CCC[C@@H]1NCC[N@H+]1CC[C@@H](O)C1 ZINC000629544459 361423651 /nfs/dbraw/zinc/42/36/51/361423651.db2.gz IOPWVNIROXWKMS-TUAOUCFPSA-N 2 1 227.352 -0.230 20 0 BBADMP [NH3+]C[C@@H]1CCC[C@@H]1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629544459 361423644 /nfs/dbraw/zinc/42/36/44/361423644.db2.gz IOPWVNIROXWKMS-TUAOUCFPSA-N 2 1 227.352 -0.230 20 0 BBADMP [NH3+]C[C@H]1CCC[C@@H]1NCC[N@H+]1CC[C@@H](O)C1 ZINC000629544461 361422964 /nfs/dbraw/zinc/42/29/64/361422964.db2.gz IOPWVNIROXWKMS-UTUOFQBUSA-N 2 1 227.352 -0.230 20 0 BBADMP [NH3+]C[C@H]1CCC[C@@H]1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629544461 361422959 /nfs/dbraw/zinc/42/29/59/361422959.db2.gz IOPWVNIROXWKMS-UTUOFQBUSA-N 2 1 227.352 -0.230 20 0 BBADMP C[C@H]([NH3+])C[C@H](C)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629545379 397968912 /nfs/dbraw/zinc/96/89/12/397968912.db2.gz MBHKVGSNRMJLGS-GARJFASQSA-N 2 1 215.341 -0.232 20 0 BBADMP C[C@H]([NH3+])C[C@H](C)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629545379 397968911 /nfs/dbraw/zinc/96/89/11/397968911.db2.gz MBHKVGSNRMJLGS-GARJFASQSA-N 2 1 215.341 -0.232 20 0 BBADMP C[C@@H]([NH3+])C[C@@H](C)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629545384 397968799 /nfs/dbraw/zinc/96/87/99/397968799.db2.gz MBHKVGSNRMJLGS-GMTAPVOTSA-N 2 1 215.341 -0.232 20 0 BBADMP C[C@@H]([NH3+])C[C@@H](C)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629545384 397968797 /nfs/dbraw/zinc/96/87/97/397968797.db2.gz MBHKVGSNRMJLGS-GMTAPVOTSA-N 2 1 215.341 -0.232 20 0 BBADMP C[C@H](C[C@H](C)[NH3+])NCC[N@H+]1CC[C@@H](O)C1 ZINC000629545385 397968920 /nfs/dbraw/zinc/96/89/20/397968920.db2.gz MBHKVGSNRMJLGS-HBNTYKKESA-N 2 1 215.341 -0.232 20 0 BBADMP C[C@H](C[C@H](C)[NH3+])NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629545385 397968918 /nfs/dbraw/zinc/96/89/18/397968918.db2.gz MBHKVGSNRMJLGS-HBNTYKKESA-N 2 1 215.341 -0.232 20 0 BBADMP C[C@@H]([NH3+])C[C@H](C)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629545386 397968815 /nfs/dbraw/zinc/96/88/15/397968815.db2.gz MBHKVGSNRMJLGS-OUAUKWLOSA-N 2 1 215.341 -0.232 20 0 BBADMP C[C@@H]([NH3+])C[C@H](C)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629545386 397968813 /nfs/dbraw/zinc/96/88/13/397968813.db2.gz MBHKVGSNRMJLGS-OUAUKWLOSA-N 2 1 215.341 -0.232 20 0 BBADMP C[C@@H](NCC[N@H+]1CC[C@@H](O)C1)[C@H]1CCC[NH2+]1 ZINC000629547026 361430425 /nfs/dbraw/zinc/43/04/25/361430425.db2.gz RRXWENACXDIFPN-IJLUTSLNSA-N 2 1 227.352 -0.217 20 0 BBADMP C[C@H](NCC[N@H+]1CC[C@@H](O)C1)[C@H]1CCC[NH2+]1 ZINC000629547027 361430879 /nfs/dbraw/zinc/43/08/79/361430879.db2.gz RRXWENACXDIFPN-QJPTWQEYSA-N 2 1 227.352 -0.217 20 0 BBADMP C[C@H](NCC[N@H+]1CC[C@@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000629547029 361430705 /nfs/dbraw/zinc/43/07/05/361430705.db2.gz RRXWENACXDIFPN-TUAOUCFPSA-N 2 1 227.352 -0.217 20 0 BBADMP C[C@@H](NCC[N@H+]1CC[C@@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000629547030 361430803 /nfs/dbraw/zinc/43/08/03/361430803.db2.gz RRXWENACXDIFPN-UTUOFQBUSA-N 2 1 227.352 -0.217 20 0 BBADMP [NH3+][C@@H]1CCC[C@H]1NCC[N@H+]1CC[C@@H](O)C1 ZINC000629548234 361432577 /nfs/dbraw/zinc/43/25/77/361432577.db2.gz WQLAPBKMUFQYBF-GMTAPVOTSA-N 2 1 213.325 -0.478 20 0 BBADMP [NH3+][C@@H]1CCC[C@H]1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629548234 361432575 /nfs/dbraw/zinc/43/25/75/361432575.db2.gz WQLAPBKMUFQYBF-GMTAPVOTSA-N 2 1 213.325 -0.478 20 0 BBADMP [NH3+][C@@H]1CCC[C@@H]1NCC[N@H+]1CC[C@@H](O)C1 ZINC000629548253 361433002 /nfs/dbraw/zinc/43/30/02/361433002.db2.gz WQLAPBKMUFQYBF-MXWKQRLJSA-N 2 1 213.325 -0.478 20 0 BBADMP [NH3+][C@@H]1CCC[C@@H]1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629548253 361432994 /nfs/dbraw/zinc/43/29/94/361432994.db2.gz WQLAPBKMUFQYBF-MXWKQRLJSA-N 2 1 213.325 -0.478 20 0 BBADMP [NH3+][C@H]1CCC[C@H]1NCC[N@H+]1CC[C@@H](O)C1 ZINC000629548257 361433151 /nfs/dbraw/zinc/43/31/51/361433151.db2.gz WQLAPBKMUFQYBF-OUAUKWLOSA-N 2 1 213.325 -0.478 20 0 BBADMP [NH3+][C@H]1CCC[C@H]1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629548257 361433147 /nfs/dbraw/zinc/43/31/47/361433147.db2.gz WQLAPBKMUFQYBF-OUAUKWLOSA-N 2 1 213.325 -0.478 20 0 BBADMP [NH3+][C@H]1CCC[C@@H]1NCC[N@H+]1CC[C@@H](O)C1 ZINC000629548259 361433381 /nfs/dbraw/zinc/43/33/81/361433381.db2.gz WQLAPBKMUFQYBF-VWYCJHECSA-N 2 1 213.325 -0.478 20 0 BBADMP [NH3+][C@H]1CCC[C@@H]1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629548259 361433377 /nfs/dbraw/zinc/43/33/77/361433377.db2.gz WQLAPBKMUFQYBF-VWYCJHECSA-N 2 1 213.325 -0.478 20 0 BBADMP CC1(C)NC(=O)CC[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000629553224 361437459 /nfs/dbraw/zinc/43/74/59/361437459.db2.gz PKEOKOZGHKNIMC-BDAKNGLRSA-N 2 1 211.309 -0.005 20 0 BBADMP CC1(C)NC(=O)CC[C@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000629553232 361438062 /nfs/dbraw/zinc/43/80/62/361438062.db2.gz PKEOKOZGHKNIMC-RKDXNWHRSA-N 2 1 211.309 -0.005 20 0 BBADMP C[C@@H]1CC[NH2+]C[C@H]1NCC[N@H+]1CC[C@H](O)C1 ZINC000629555683 361447139 /nfs/dbraw/zinc/44/71/39/361447139.db2.gz AWDMHDQXKFSMDN-GRYCIOLGSA-N 2 1 227.352 -0.359 20 0 BBADMP C[C@H]1CC[NH2+]C[C@H]1NCC[N@H+]1CC[C@H](O)C1 ZINC000629555686 361447674 /nfs/dbraw/zinc/44/76/74/361447674.db2.gz AWDMHDQXKFSMDN-SDDRHHMPSA-N 2 1 227.352 -0.359 20 0 BBADMP C[C@H]1CC[NH2+]C[C@@H]1NCC[N@H+]1CC[C@H](O)C1 ZINC000629555688 361447446 /nfs/dbraw/zinc/44/74/46/361447446.db2.gz AWDMHDQXKFSMDN-SRVKXCTJSA-N 2 1 227.352 -0.359 20 0 BBADMP C[C@@H]1CC[NH2+]C[C@@H]1NCC[N@H+]1CC[C@H](O)C1 ZINC000629555692 361448150 /nfs/dbraw/zinc/44/81/50/361448150.db2.gz AWDMHDQXKFSMDN-WOPDTQHZSA-N 2 1 227.352 -0.359 20 0 BBADMP O[C@H]1CCN(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000629555881 361448314 /nfs/dbraw/zinc/44/83/14/361448314.db2.gz HRMGTQCTFGYMHU-HNGCFSAESA-N 2 1 239.363 -0.074 20 0 BBADMP O[C@H]1CC[N@@H+](CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000629555881 361448308 /nfs/dbraw/zinc/44/83/08/361448308.db2.gz HRMGTQCTFGYMHU-HNGCFSAESA-N 2 1 239.363 -0.074 20 0 BBADMP [NH3+]C[C@H]1CCC[C@H]1NCC[N@H+]1CC[C@H](O)C1 ZINC000629555913 361449172 /nfs/dbraw/zinc/44/91/72/361449172.db2.gz IOPWVNIROXWKMS-GRYCIOLGSA-N 2 1 227.352 -0.230 20 0 BBADMP [NH3+]C[C@H]1CCC[C@H]1NCC[N@@H+]1CC[C@H](O)C1 ZINC000629555913 361449169 /nfs/dbraw/zinc/44/91/69/361449169.db2.gz IOPWVNIROXWKMS-GRYCIOLGSA-N 2 1 227.352 -0.230 20 0 BBADMP [NH3+]C[C@@H]1CCC[C@H]1NCC[N@H+]1CC[C@H](O)C1 ZINC000629555916 361448983 /nfs/dbraw/zinc/44/89/83/361448983.db2.gz IOPWVNIROXWKMS-SDDRHHMPSA-N 2 1 227.352 -0.230 20 0 BBADMP [NH3+]C[C@@H]1CCC[C@H]1NCC[N@@H+]1CC[C@H](O)C1 ZINC000629555916 361448977 /nfs/dbraw/zinc/44/89/77/361448977.db2.gz IOPWVNIROXWKMS-SDDRHHMPSA-N 2 1 227.352 -0.230 20 0 BBADMP [NH3+]C[C@@H]1CCC[C@@H]1NCC[N@H+]1CC[C@H](O)C1 ZINC000629555917 361448854 /nfs/dbraw/zinc/44/88/54/361448854.db2.gz IOPWVNIROXWKMS-SRVKXCTJSA-N 2 1 227.352 -0.230 20 0 BBADMP [NH3+]C[C@@H]1CCC[C@@H]1NCC[N@@H+]1CC[C@H](O)C1 ZINC000629555917 361448847 /nfs/dbraw/zinc/44/88/47/361448847.db2.gz IOPWVNIROXWKMS-SRVKXCTJSA-N 2 1 227.352 -0.230 20 0 BBADMP [NH3+]C[C@H]1CCC[C@@H]1NCC[N@H+]1CC[C@H](O)C1 ZINC000629555918 361449157 /nfs/dbraw/zinc/44/91/57/361449157.db2.gz IOPWVNIROXWKMS-WOPDTQHZSA-N 2 1 227.352 -0.230 20 0 BBADMP [NH3+]C[C@H]1CCC[C@@H]1NCC[N@@H+]1CC[C@H](O)C1 ZINC000629555918 361449154 /nfs/dbraw/zinc/44/91/54/361449154.db2.gz IOPWVNIROXWKMS-WOPDTQHZSA-N 2 1 227.352 -0.230 20 0 BBADMP C[C@H](C[C@H](C)[NH3+])NCC[N@H+]1CC[C@H](O)C1 ZINC000629556178 361448712 /nfs/dbraw/zinc/44/87/12/361448712.db2.gz MBHKVGSNRMJLGS-AXFHLTTASA-N 2 1 215.341 -0.232 20 0 BBADMP C[C@H](C[C@H](C)[NH3+])NCC[N@@H+]1CC[C@H](O)C1 ZINC000629556178 361448707 /nfs/dbraw/zinc/44/87/07/361448707.db2.gz MBHKVGSNRMJLGS-AXFHLTTASA-N 2 1 215.341 -0.232 20 0 BBADMP C[C@H]([NH3+])C[C@H](C)NCC[N@H+]1CC[C@H](O)C1 ZINC000629556179 361448883 /nfs/dbraw/zinc/44/88/83/361448883.db2.gz MBHKVGSNRMJLGS-DCAQKATOSA-N 2 1 215.341 -0.232 20 0 BBADMP C[C@H]([NH3+])C[C@H](C)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629556179 361448879 /nfs/dbraw/zinc/44/88/79/361448879.db2.gz MBHKVGSNRMJLGS-DCAQKATOSA-N 2 1 215.341 -0.232 20 0 BBADMP C[C@@H]([NH3+])C[C@@H](C)NCC[N@H+]1CC[C@H](O)C1 ZINC000629556180 361448368 /nfs/dbraw/zinc/44/83/68/361448368.db2.gz MBHKVGSNRMJLGS-MXWKQRLJSA-N 2 1 215.341 -0.232 20 0 BBADMP C[C@@H]([NH3+])C[C@@H](C)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629556180 361448363 /nfs/dbraw/zinc/44/83/63/361448363.db2.gz MBHKVGSNRMJLGS-MXWKQRLJSA-N 2 1 215.341 -0.232 20 0 BBADMP C[C@@H]([NH3+])C[C@H](C)NCC[N@H+]1CC[C@H](O)C1 ZINC000629556181 361449073 /nfs/dbraw/zinc/44/90/73/361449073.db2.gz MBHKVGSNRMJLGS-VWYCJHECSA-N 2 1 215.341 -0.232 20 0 BBADMP C[C@@H]([NH3+])C[C@H](C)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629556181 361449068 /nfs/dbraw/zinc/44/90/68/361449068.db2.gz MBHKVGSNRMJLGS-VWYCJHECSA-N 2 1 215.341 -0.232 20 0 BBADMP C[C@@H](NCC[N@H+]1CC[C@H](O)C1)[C@H]1CCC[NH2+]1 ZINC000629556525 361450472 /nfs/dbraw/zinc/45/04/72/361450472.db2.gz RRXWENACXDIFPN-GRYCIOLGSA-N 2 1 227.352 -0.217 20 0 BBADMP C[C@H](NCC[N@H+]1CC[C@H](O)C1)[C@H]1CCC[NH2+]1 ZINC000629556526 361450217 /nfs/dbraw/zinc/45/02/17/361450217.db2.gz RRXWENACXDIFPN-SDDRHHMPSA-N 2 1 227.352 -0.217 20 0 BBADMP C[C@H](NCC[N@H+]1CC[C@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000629556527 361449846 /nfs/dbraw/zinc/44/98/46/361449846.db2.gz RRXWENACXDIFPN-SRVKXCTJSA-N 2 1 227.352 -0.217 20 0 BBADMP C[C@@H](NCC[N@H+]1CC[C@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000629556528 361450431 /nfs/dbraw/zinc/45/04/31/361450431.db2.gz RRXWENACXDIFPN-WOPDTQHZSA-N 2 1 227.352 -0.217 20 0 BBADMP [NH3+][C@@H]1CCC[C@@H]1NCC[N@H+]1CC[C@H](O)C1 ZINC000629556654 361450322 /nfs/dbraw/zinc/45/03/22/361450322.db2.gz WQLAPBKMUFQYBF-AXFHLTTASA-N 2 1 213.325 -0.478 20 0 BBADMP [NH3+][C@@H]1CCC[C@@H]1NCC[N@@H+]1CC[C@H](O)C1 ZINC000629556654 361450319 /nfs/dbraw/zinc/45/03/19/361450319.db2.gz WQLAPBKMUFQYBF-AXFHLTTASA-N 2 1 213.325 -0.478 20 0 BBADMP [NH3+][C@H]1CCC[C@@H]1NCC[N@H+]1CC[C@H](O)C1 ZINC000629556655 361449620 /nfs/dbraw/zinc/44/96/20/361449620.db2.gz WQLAPBKMUFQYBF-DCAQKATOSA-N 2 1 213.325 -0.478 20 0 BBADMP [NH3+][C@H]1CCC[C@@H]1NCC[N@@H+]1CC[C@H](O)C1 ZINC000629556655 361449615 /nfs/dbraw/zinc/44/96/15/361449615.db2.gz WQLAPBKMUFQYBF-DCAQKATOSA-N 2 1 213.325 -0.478 20 0 BBADMP [NH3+][C@H]1CCC[C@H]1NCC[N@H+]1CC[C@H](O)C1 ZINC000629556656 361450043 /nfs/dbraw/zinc/45/00/43/361450043.db2.gz WQLAPBKMUFQYBF-GARJFASQSA-N 2 1 213.325 -0.478 20 0 BBADMP [NH3+][C@H]1CCC[C@H]1NCC[N@@H+]1CC[C@H](O)C1 ZINC000629556656 361450039 /nfs/dbraw/zinc/45/00/39/361450039.db2.gz WQLAPBKMUFQYBF-GARJFASQSA-N 2 1 213.325 -0.478 20 0 BBADMP [NH3+][C@@H]1CCC[C@H]1NCC[N@H+]1CC[C@H](O)C1 ZINC000629556658 361449675 /nfs/dbraw/zinc/44/96/75/361449675.db2.gz WQLAPBKMUFQYBF-HBNTYKKESA-N 2 1 213.325 -0.478 20 0 BBADMP [NH3+][C@@H]1CCC[C@H]1NCC[N@@H+]1CC[C@H](O)C1 ZINC000629556658 361449670 /nfs/dbraw/zinc/44/96/70/361449670.db2.gz WQLAPBKMUFQYBF-HBNTYKKESA-N 2 1 213.325 -0.478 20 0 BBADMP CCN(CC[NH3+])[C@H](C)C[NH+]1CCOCC1 ZINC000629557892 361451975 /nfs/dbraw/zinc/45/19/75/361451975.db2.gz IDXGTNVYJWBKAJ-LLVKDONJSA-N 2 1 215.341 -0.012 20 0 BBADMP CCN(CC[NH3+])[C@@H](C)C[NH+]1CCOCC1 ZINC000629557893 361451453 /nfs/dbraw/zinc/45/14/53/361451453.db2.gz IDXGTNVYJWBKAJ-NSHDSACASA-N 2 1 215.341 -0.012 20 0 BBADMP CCN(CC[NH3+])CCC[NH+]1CCOCC1 ZINC000629558004 361451880 /nfs/dbraw/zinc/45/18/80/361451880.db2.gz NKEMEABLGRCBAN-UHFFFAOYSA-N 2 1 215.341 -0.011 20 0 BBADMP CCN(CC[NH3+])CC[N@H+]1CCO[C@H](C)C1 ZINC000629558237 361452676 /nfs/dbraw/zinc/45/26/76/361452676.db2.gz UYXBLYKFVPCGTR-LLVKDONJSA-N 2 1 215.341 -0.012 20 0 BBADMP CCN(CC[NH3+])CC[N@@H+]1CCO[C@H](C)C1 ZINC000629558237 361452674 /nfs/dbraw/zinc/45/26/74/361452674.db2.gz UYXBLYKFVPCGTR-LLVKDONJSA-N 2 1 215.341 -0.012 20 0 BBADMP CCN(CC[NH3+])CC[N@H+]1CCO[C@@H](C)C1 ZINC000629558238 361453014 /nfs/dbraw/zinc/45/30/14/361453014.db2.gz UYXBLYKFVPCGTR-NSHDSACASA-N 2 1 215.341 -0.012 20 0 BBADMP CCN(CC[NH3+])CC[N@@H+]1CCO[C@@H](C)C1 ZINC000629558238 361453011 /nfs/dbraw/zinc/45/30/11/361453011.db2.gz UYXBLYKFVPCGTR-NSHDSACASA-N 2 1 215.341 -0.012 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)NCC(C)C ZINC000629566375 361457596 /nfs/dbraw/zinc/45/75/96/361457596.db2.gz JOVLHPPUJORAKP-UHFFFAOYSA-N 2 1 245.367 -0.074 20 0 BBADMP C[NH2+]CCOCC[N@H+](C)CC(=O)NCC(C)C ZINC000629566375 361457590 /nfs/dbraw/zinc/45/75/90/361457590.db2.gz JOVLHPPUJORAKP-UHFFFAOYSA-N 2 1 245.367 -0.074 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)NCC1CC1 ZINC000629566905 361457287 /nfs/dbraw/zinc/45/72/87/361457287.db2.gz BERKDAMIXCJUOZ-UHFFFAOYSA-N 2 1 243.351 -0.320 20 0 BBADMP C[NH2+]CCOCC[N@H+](C)CC(=O)NCC1CC1 ZINC000629566905 361457283 /nfs/dbraw/zinc/45/72/83/361457283.db2.gz BERKDAMIXCJUOZ-UHFFFAOYSA-N 2 1 243.351 -0.320 20 0 BBADMP CCCNC(=O)C[N@@H+](C)CCOCC[NH2+]C ZINC000629566947 361457836 /nfs/dbraw/zinc/45/78/36/361457836.db2.gz KMXDOLLMZAKDFB-UHFFFAOYSA-N 2 1 231.340 -0.320 20 0 BBADMP CCCNC(=O)C[N@H+](C)CCOCC[NH2+]C ZINC000629566947 361457831 /nfs/dbraw/zinc/45/78/31/361457831.db2.gz KMXDOLLMZAKDFB-UHFFFAOYSA-N 2 1 231.340 -0.320 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)NC1CC1 ZINC000629567013 361457192 /nfs/dbraw/zinc/45/71/92/361457192.db2.gz LSTNUTFPAXMAES-UHFFFAOYSA-N 2 1 229.324 -0.567 20 0 BBADMP C[NH2+]CCOCC[N@H+](C)CC(=O)NC1CC1 ZINC000629567013 361457191 /nfs/dbraw/zinc/45/71/91/361457191.db2.gz LSTNUTFPAXMAES-UHFFFAOYSA-N 2 1 229.324 -0.567 20 0 BBADMP C[NH2+]CCOCCN(C)C[C@@H]1CC[NH2+]C1 ZINC000629567291 361458601 /nfs/dbraw/zinc/45/86/01/361458601.db2.gz JLNWLRHKQQZAEN-LLVKDONJSA-N 2 1 215.341 -0.236 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000629567291 361458599 /nfs/dbraw/zinc/45/85/99/361458599.db2.gz JLNWLRHKQQZAEN-LLVKDONJSA-N 3 1 215.341 -0.236 20 0 BBADMP C[NH2+]CCOCCN(C)C[C@H]1CC[NH2+]C1 ZINC000629567292 361458379 /nfs/dbraw/zinc/45/83/79/361458379.db2.gz JLNWLRHKQQZAEN-NSHDSACASA-N 2 1 215.341 -0.236 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000629567292 361458377 /nfs/dbraw/zinc/45/83/77/361458377.db2.gz JLNWLRHKQQZAEN-NSHDSACASA-N 3 1 215.341 -0.236 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)NC(C)C ZINC000629568033 361460748 /nfs/dbraw/zinc/46/07/48/361460748.db2.gz RSCYLHZYSJXMAR-UHFFFAOYSA-N 2 1 231.340 -0.321 20 0 BBADMP C[NH2+]CCOCC[N@H+](C)CC(=O)NC(C)C ZINC000629568033 361460746 /nfs/dbraw/zinc/46/07/46/361460746.db2.gz RSCYLHZYSJXMAR-UHFFFAOYSA-N 2 1 231.340 -0.321 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)CCn1cncn1 ZINC000629569398 361461569 /nfs/dbraw/zinc/46/15/69/361461569.db2.gz BTZAKAXRBSAKKJ-UHFFFAOYSA-N 2 1 227.312 -0.554 20 0 BBADMP CC[C@H](C(N)=O)[N@@H+](C)CCOCC[NH2+]C ZINC000629569417 361461460 /nfs/dbraw/zinc/46/14/60/361461460.db2.gz CEDDRDLRMMYPAK-SECBINFHSA-N 2 1 217.313 -0.582 20 0 BBADMP CC[C@@H](C(N)=O)[N@@H+](C)CCOCC[NH2+]C ZINC000629569418 361461773 /nfs/dbraw/zinc/46/17/73/361461773.db2.gz CEDDRDLRMMYPAK-VIFPVBQESA-N 2 1 217.313 -0.582 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)CC(C)(C)O ZINC000629569440 361461888 /nfs/dbraw/zinc/46/18/88/361461888.db2.gz CYHXAKLCJBTIBT-UHFFFAOYSA-N 2 1 204.314 -0.075 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N(C)C ZINC000629569762 361461824 /nfs/dbraw/zinc/46/18/24/361461824.db2.gz FHTDDTOKHDUUKS-UHFFFAOYSA-N 2 1 217.313 -0.758 20 0 BBADMP C[NH2+]CCOCC[N@H+](C)CC(=O)N(C)C ZINC000629569762 361461817 /nfs/dbraw/zinc/46/18/17/361461817.db2.gz FHTDDTOKHDUUKS-UHFFFAOYSA-N 2 1 217.313 -0.758 20 0 BBADMP C[NH2+]CCC[N@@H+](C)CCOCC[NH2+]C ZINC000629569769 361461434 /nfs/dbraw/zinc/46/14/34/361461434.db2.gz FKFRVDKKILGWSC-UHFFFAOYSA-N 3 1 203.330 -0.236 20 0 BBADMP C[NH2+]CCC[N@H+](C)CCOCC[NH2+]C ZINC000629569769 361461429 /nfs/dbraw/zinc/46/14/29/361461429.db2.gz FKFRVDKKILGWSC-UHFFFAOYSA-N 3 1 203.330 -0.236 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)CCC(=O)N(C)C ZINC000629569862 584781648 /nfs/dbraw/zinc/78/16/48/584781648.db2.gz GHJGBGZKPFIGLT-UHFFFAOYSA-N 2 1 231.340 -0.368 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)CCN1CCCC1=O ZINC000629570234 361459539 /nfs/dbraw/zinc/45/95/39/361459539.db2.gz ARSNNEWMVZYCTH-UHFFFAOYSA-N 2 1 243.351 -0.223 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N1CCCC1 ZINC000629570732 361460738 /nfs/dbraw/zinc/46/07/38/361460738.db2.gz LZVVIOJHIBDOBX-UHFFFAOYSA-N 2 1 243.351 -0.223 20 0 BBADMP C[NH2+]CCOCC[N@H+](C)CC(=O)N1CCCC1 ZINC000629570732 361460737 /nfs/dbraw/zinc/46/07/37/361460737.db2.gz LZVVIOJHIBDOBX-UHFFFAOYSA-N 2 1 243.351 -0.223 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000629570828 361460776 /nfs/dbraw/zinc/46/07/76/361460776.db2.gz NIUFECMHDWMQIB-UHFFFAOYSA-N 3 1 244.383 -0.941 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N(C)C1CC1 ZINC000629570981 361460658 /nfs/dbraw/zinc/46/06/58/361460658.db2.gz IDWTUZVQAQOFMI-UHFFFAOYSA-N 2 1 243.351 -0.225 20 0 BBADMP C[NH2+]CCOCC[N@H+](C)CC(=O)N(C)C1CC1 ZINC000629570981 361460657 /nfs/dbraw/zinc/46/06/57/361460657.db2.gz IDWTUZVQAQOFMI-UHFFFAOYSA-N 2 1 243.351 -0.225 20 0 BBADMP CCNC(=O)C[N@@H+](C)CCOCC[NH2+]C ZINC000629571285 584781590 /nfs/dbraw/zinc/78/15/90/584781590.db2.gz RQIJHUAHNZLPLL-UHFFFAOYSA-N 2 1 217.313 -0.710 20 0 BBADMP CCNC(=O)C[N@H+](C)CCOCC[NH2+]C ZINC000629571285 584781588 /nfs/dbraw/zinc/78/15/88/584781588.db2.gz RQIJHUAHNZLPLL-UHFFFAOYSA-N 2 1 217.313 -0.710 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)C(N)=O ZINC000629571337 361460568 /nfs/dbraw/zinc/46/05/68/361460568.db2.gz SGZHQGMMUXTGEI-MRVPVSSYSA-N 2 1 203.286 -0.972 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(N)=O ZINC000629571338 361460640 /nfs/dbraw/zinc/46/06/40/361460640.db2.gz SGZHQGMMUXTGEI-QMMMGPOBSA-N 2 1 203.286 -0.972 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC000629571370 361461854 /nfs/dbraw/zinc/46/18/54/361461854.db2.gz SZRDKNNGAHVXBH-JTQLQIEISA-N 2 1 231.340 -0.369 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC000629571371 361461943 /nfs/dbraw/zinc/46/19/43/361461943.db2.gz SZRDKNNGAHVXBH-SNVBAGLBSA-N 2 1 231.340 -0.369 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)CCN1CCOCC1 ZINC000629571681 361462618 /nfs/dbraw/zinc/46/26/18/361462618.db2.gz ZZTPJHYNOFJXKI-UHFFFAOYSA-N 2 1 245.367 -0.514 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1CNCCO1 ZINC000629571713 361462461 /nfs/dbraw/zinc/46/24/61/361462461.db2.gz HVYDQEZCXCBOHT-LLVKDONJSA-N 2 1 231.340 -0.857 20 0 BBADMP C[NH2+]CCOCC[N@H+](C)C[C@H]1CNCCO1 ZINC000629571713 361462459 /nfs/dbraw/zinc/46/24/59/361462459.db2.gz HVYDQEZCXCBOHT-LLVKDONJSA-N 2 1 231.340 -0.857 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CNCCO1 ZINC000629571716 361463245 /nfs/dbraw/zinc/46/32/45/361463245.db2.gz HVYDQEZCXCBOHT-NSHDSACASA-N 2 1 231.340 -0.857 20 0 BBADMP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CNCCO1 ZINC000629571716 361463237 /nfs/dbraw/zinc/46/32/37/361463237.db2.gz HVYDQEZCXCBOHT-NSHDSACASA-N 2 1 231.340 -0.857 20 0 BBADMP CCN1CC[C@@H]([N@@H+](C)CCOCC[NH2+]C)C1=O ZINC000629571728 361463871 /nfs/dbraw/zinc/46/38/71/361463871.db2.gz IDEPUWFYEYSAQN-LLVKDONJSA-N 2 1 243.351 -0.225 20 0 BBADMP CCN1CC[C@H]([N@@H+](C)CCOCC[NH2+]C)C1=O ZINC000629571733 361463918 /nfs/dbraw/zinc/46/39/18/361463918.db2.gz IDEPUWFYEYSAQN-NSHDSACASA-N 2 1 243.351 -0.225 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000629571970 361463697 /nfs/dbraw/zinc/46/36/97/361463697.db2.gz KYCSSGHBTKERFH-JTQLQIEISA-N 2 1 229.324 -0.615 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000629571971 361463784 /nfs/dbraw/zinc/46/37/84/361463784.db2.gz KYCSSGHBTKERFH-SNVBAGLBSA-N 2 1 229.324 -0.615 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)[C@@H]1CCCN(C)C1=O ZINC000629572239 361463975 /nfs/dbraw/zinc/46/39/75/361463975.db2.gz PESRCBHDLIAJJO-LLVKDONJSA-N 2 1 243.351 -0.225 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)[C@H]1CCCN(C)C1=O ZINC000629572240 361463885 /nfs/dbraw/zinc/46/38/85/361463885.db2.gz PESRCBHDLIAJJO-NSHDSACASA-N 2 1 243.351 -0.225 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)[C@@H]1CCNC1=O ZINC000629572483 361463866 /nfs/dbraw/zinc/46/38/66/361463866.db2.gz UQOKFIZWISKJOH-SECBINFHSA-N 2 1 215.297 -0.957 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)[C@H]1CCNC1=O ZINC000629572484 361463876 /nfs/dbraw/zinc/46/38/76/361463876.db2.gz UQOKFIZWISKJOH-VIFPVBQESA-N 2 1 215.297 -0.957 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)C[C@](C)(O)C[NH2+]C ZINC000629572586 361463826 /nfs/dbraw/zinc/46/38/26/361463826.db2.gz XSRWZDXZIALPCK-LLVKDONJSA-N 3 1 233.356 -0.875 20 0 BBADMP C[NH2+]CCOCC[N@H+](C)C[C@](C)(O)C[NH2+]C ZINC000629572586 361463825 /nfs/dbraw/zinc/46/38/25/361463825.db2.gz XSRWZDXZIALPCK-LLVKDONJSA-N 3 1 233.356 -0.875 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)C[C@@](C)(O)C[NH2+]C ZINC000629572587 361463686 /nfs/dbraw/zinc/46/36/86/361463686.db2.gz XSRWZDXZIALPCK-NSHDSACASA-N 3 1 233.356 -0.875 20 0 BBADMP C[NH2+]CCOCC[N@H+](C)C[C@@](C)(O)C[NH2+]C ZINC000629572587 361463685 /nfs/dbraw/zinc/46/36/85/361463685.db2.gz XSRWZDXZIALPCK-NSHDSACASA-N 3 1 233.356 -0.875 20 0 BBADMP CN(CCOCC[NH3+])C[C@H]1CC[NH2+]C1 ZINC000629576755 361468484 /nfs/dbraw/zinc/46/84/84/361468484.db2.gz PDAFBDPHYILICK-JTQLQIEISA-N 2 1 201.314 -0.497 20 0 BBADMP C[N@@H+](CCOCC[NH3+])C[C@H]1CC[NH2+]C1 ZINC000629576755 361468479 /nfs/dbraw/zinc/46/84/79/361468479.db2.gz PDAFBDPHYILICK-JTQLQIEISA-N 3 1 201.314 -0.497 20 0 BBADMP CN(CCOCC[NH3+])C[C@@H]1CC[NH2+]C1 ZINC000629576758 361467806 /nfs/dbraw/zinc/46/78/06/361467806.db2.gz PDAFBDPHYILICK-SNVBAGLBSA-N 2 1 201.314 -0.497 20 0 BBADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CC[NH2+]C1 ZINC000629576758 361467797 /nfs/dbraw/zinc/46/77/97/361467797.db2.gz PDAFBDPHYILICK-SNVBAGLBSA-N 3 1 201.314 -0.497 20 0 BBADMP C[N@@H+](CCOCC[NH3+])CC1CC[NH2+]CC1 ZINC000629577180 361467571 /nfs/dbraw/zinc/46/75/71/361467571.db2.gz QGYZJUXKSORIBG-UHFFFAOYSA-N 3 1 215.341 -0.107 20 0 BBADMP CN(CC1CC1)C(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000629577514 361467664 /nfs/dbraw/zinc/46/76/64/361467664.db2.gz BAMKVVRAMCVVJI-UHFFFAOYSA-N 2 1 243.351 -0.238 20 0 BBADMP CN(CC1CC1)C(=O)C[N@H+](C)CCOCC[NH3+] ZINC000629577514 361467660 /nfs/dbraw/zinc/46/76/60/361467660.db2.gz BAMKVVRAMCVVJI-UHFFFAOYSA-N 2 1 243.351 -0.238 20 0 BBADMP C[N@@H+](CCCN1CCOCC1)CCOCC[NH3+] ZINC000629577811 361467282 /nfs/dbraw/zinc/46/72/82/361467282.db2.gz JOZHOPSGUHPADT-UHFFFAOYSA-N 2 1 245.367 -0.384 20 0 BBADMP Cn1ccc(C[N@@H+](C)CCOCC[NH3+])cc1=O ZINC000629577920 361467470 /nfs/dbraw/zinc/46/74/70/361467470.db2.gz FMSJAEXSTXJJRZ-UHFFFAOYSA-N 2 1 239.319 -0.208 20 0 BBADMP CC(C)N1CC[C@@H]([N@@H+](C)CCOCC[NH3+])C1=O ZINC000629577929 361467219 /nfs/dbraw/zinc/46/72/19/361467219.db2.gz FPKAHXWPEXIJDK-LLVKDONJSA-N 2 1 243.351 -0.097 20 0 BBADMP CC(C)N1CC[C@H]([N@@H+](C)CCOCC[NH3+])C1=O ZINC000629577930 361467777 /nfs/dbraw/zinc/46/77/77/361467777.db2.gz FPKAHXWPEXIJDK-NSHDSACASA-N 2 1 243.351 -0.097 20 0 BBADMP CN(CCOCC[NH3+])C[C@@H]1CCC[NH2+]C1 ZINC000629578355 361464589 /nfs/dbraw/zinc/46/45/89/361464589.db2.gz XUMVQPVHXUWBLF-LLVKDONJSA-N 2 1 215.341 -0.107 20 0 BBADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CCC[NH2+]C1 ZINC000629578355 361464584 /nfs/dbraw/zinc/46/45/84/361464584.db2.gz XUMVQPVHXUWBLF-LLVKDONJSA-N 3 1 215.341 -0.107 20 0 BBADMP CN(CCOCC[NH3+])C[C@H]1CCC[NH2+]C1 ZINC000629578357 361465157 /nfs/dbraw/zinc/46/51/57/361465157.db2.gz XUMVQPVHXUWBLF-NSHDSACASA-N 2 1 215.341 -0.107 20 0 BBADMP C[N@@H+](CCOCC[NH3+])C[C@H]1CCC[NH2+]C1 ZINC000629578357 361465155 /nfs/dbraw/zinc/46/51/55/361465155.db2.gz XUMVQPVHXUWBLF-NSHDSACASA-N 3 1 215.341 -0.107 20 0 BBADMP C[N@@H+](CCOCC[NH3+])CC(=O)NCC1CCC1 ZINC000629579659 361466046 /nfs/dbraw/zinc/46/60/46/361466046.db2.gz WCGUNAHFQMKGAS-UHFFFAOYSA-N 2 1 243.351 -0.190 20 0 BBADMP C[N@H+](CCOCC[NH3+])CC(=O)NCC1CCC1 ZINC000629579659 361466042 /nfs/dbraw/zinc/46/60/42/361466042.db2.gz WCGUNAHFQMKGAS-UHFFFAOYSA-N 2 1 243.351 -0.190 20 0 BBADMP C[N@@H+](CCOCC[NH3+])CCN1C(=O)CCC1=O ZINC000629579922 361466224 /nfs/dbraw/zinc/46/62/24/361466224.db2.gz YHWBUZBYOCSXAN-UHFFFAOYSA-N 2 1 243.307 -0.958 20 0 BBADMP COc1cncc(C[N@@H+](C)CCOCC[NH3+])n1 ZINC000629580419 361466299 /nfs/dbraw/zinc/46/62/99/361466299.db2.gz BLURSTLRHUARKV-UHFFFAOYSA-N 2 1 240.307 -0.108 20 0 BBADMP COc1cncc(C[N@H+](C)CCOCC[NH3+])n1 ZINC000629580419 361466297 /nfs/dbraw/zinc/46/62/97/361466297.db2.gz BLURSTLRHUARKV-UHFFFAOYSA-N 2 1 240.307 -0.108 20 0 BBADMP C[C@H](CN1CCOCC1)[N@@H+](C)CCOCC[NH3+] ZINC000629580424 361466134 /nfs/dbraw/zinc/46/61/34/361466134.db2.gz BOQUKZFMPMBWIR-GFCCVEGCSA-N 2 1 245.367 -0.386 20 0 BBADMP C[C@@H](CN1CCOCC1)[N@@H+](C)CCOCC[NH3+] ZINC000629580425 361466439 /nfs/dbraw/zinc/46/64/39/361466439.db2.gz BOQUKZFMPMBWIR-LBPRGKRZSA-N 2 1 245.367 -0.386 20 0 BBADMP C[C@@H]1CN(CC[N@@H+](C)CCOCC[NH3+])CCO1 ZINC000629580469 361464393 /nfs/dbraw/zinc/46/43/93/361464393.db2.gz CYVREMRYODLEIZ-GFCCVEGCSA-N 2 1 245.367 -0.386 20 0 BBADMP C[C@H]1CN(CC[N@@H+](C)CCOCC[NH3+])CCO1 ZINC000629580470 361465081 /nfs/dbraw/zinc/46/50/81/361465081.db2.gz CYVREMRYODLEIZ-LBPRGKRZSA-N 2 1 245.367 -0.386 20 0 BBADMP CCN(C)C(=O)CC[N@@H+](C)CCOCC[NH3+] ZINC000629580730 361469834 /nfs/dbraw/zinc/46/98/34/361469834.db2.gz FXHGPNYTUUAUFS-UHFFFAOYSA-N 2 1 231.340 -0.238 20 0 BBADMP C[N@@H+](CCOCC[NH3+])C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000629580956 361470918 /nfs/dbraw/zinc/47/09/18/361470918.db2.gz HFOYAOUOYNQLFI-LLVKDONJSA-N 3 1 243.351 -0.586 20 0 BBADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000629580957 361470742 /nfs/dbraw/zinc/47/07/42/361470742.db2.gz HFOYAOUOYNQLFI-NSHDSACASA-N 3 1 243.351 -0.586 20 0 BBADMP CCN1CC[C@H]([N@@H+](C)CCOCC[NH3+])C1=O ZINC000629581147 361470803 /nfs/dbraw/zinc/47/08/03/361470803.db2.gz OPIZMOFJJFFETE-JTQLQIEISA-N 2 1 229.324 -0.486 20 0 BBADMP CCN1CC[C@@H]([N@@H+](C)CCOCC[NH3+])C1=O ZINC000629581148 361471320 /nfs/dbraw/zinc/47/13/20/361471320.db2.gz OPIZMOFJJFFETE-SNVBAGLBSA-N 2 1 229.324 -0.486 20 0 BBADMP CN1CCC[C@H]([N@@H+](C)CCOCC[NH3+])C1=O ZINC000629581159 361471439 /nfs/dbraw/zinc/47/14/39/361471439.db2.gz PMFBCGUJRVQQRT-JTQLQIEISA-N 2 1 229.324 -0.486 20 0 BBADMP CN1CCC[C@@H]([N@@H+](C)CCOCC[NH3+])C1=O ZINC000629581160 361471408 /nfs/dbraw/zinc/47/14/08/361471408.db2.gz PMFBCGUJRVQQRT-SNVBAGLBSA-N 2 1 229.324 -0.486 20 0 BBADMP C[N@@H+](CCOCC[NH3+])CC[C@H]1CC[NH2+]C1 ZINC000629581184 361470589 /nfs/dbraw/zinc/47/05/89/361470589.db2.gz QPLWTMRMYXZAKH-LLVKDONJSA-N 3 1 215.341 -0.107 20 0 BBADMP C[N@@H+](CCOCC[NH3+])CC[C@@H]1CC[NH2+]C1 ZINC000629581185 361471140 /nfs/dbraw/zinc/47/11/40/361471140.db2.gz QPLWTMRMYXZAKH-NSHDSACASA-N 3 1 215.341 -0.107 20 0 BBADMP FCC[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000629581210 361470660 /nfs/dbraw/zinc/47/06/60/361470660.db2.gz RPQRSRHNESTRCX-GFCCVEGCSA-N 2 1 245.342 -0.048 20 0 BBADMP FCC[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000629581210 361470659 /nfs/dbraw/zinc/47/06/59/361470659.db2.gz RPQRSRHNESTRCX-GFCCVEGCSA-N 2 1 245.342 -0.048 20 0 BBADMP FCC[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000629581211 361470718 /nfs/dbraw/zinc/47/07/18/361470718.db2.gz RPQRSRHNESTRCX-LBPRGKRZSA-N 2 1 245.342 -0.048 20 0 BBADMP FCC[C@H]1C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000629581211 361470714 /nfs/dbraw/zinc/47/07/14/361470714.db2.gz RPQRSRHNESTRCX-LBPRGKRZSA-N 2 1 245.342 -0.048 20 0 BBADMP Cn1nccc1C[N@@H+](C)CCOCC[NH3+] ZINC000629581359 361471010 /nfs/dbraw/zinc/47/10/10/361471010.db2.gz XUZZDRQBTUZZOL-UHFFFAOYSA-N 2 1 212.297 -0.173 20 0 BBADMP Cn1nccc1C[N@H+](C)CCOCC[NH3+] ZINC000629581359 361471007 /nfs/dbraw/zinc/47/10/07/361471007.db2.gz XUZZDRQBTUZZOL-UHFFFAOYSA-N 2 1 212.297 -0.173 20 0 BBADMP COC[C@H](C[N@@H+](C)CCOCC[NH3+])OC ZINC000629581412 361471635 /nfs/dbraw/zinc/47/16/35/361471635.db2.gz ZUOYCKVLNDXOKQ-JTQLQIEISA-N 2 1 220.313 -0.445 20 0 BBADMP COC[C@@H](C[N@@H+](C)CCOCC[NH3+])OC ZINC000629581413 361471480 /nfs/dbraw/zinc/47/14/80/361471480.db2.gz ZUOYCKVLNDXOKQ-SNVBAGLBSA-N 2 1 220.313 -0.445 20 0 BBADMP C[N@@H+](CCN1CC[NH2+]CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629581647 361472717 /nfs/dbraw/zinc/47/27/17/361472717.db2.gz FHVOCEIOJJPHKF-PHIMTYICSA-N 2 1 240.351 -0.913 20 0 BBADMP C[N@@H+](CCOCC[NH3+])[C@H]1C[C@@H](C(N)=O)C1 ZINC000629582262 361472321 /nfs/dbraw/zinc/47/23/21/361472321.db2.gz QHMOFJKABJNIOR-DTORHVGOSA-N 2 1 215.297 -0.843 20 0 BBADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629582297 361472115 /nfs/dbraw/zinc/47/21/15/361472115.db2.gz RURWQVLBBMSDSA-BBBLOLIVSA-N 2 1 211.309 -0.208 20 0 BBADMP C[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629582298 361471967 /nfs/dbraw/zinc/47/19/67/361471967.db2.gz RURWQVLBBMSDSA-LPEHRKFASA-N 2 1 211.309 -0.208 20 0 BBADMP NC(=O)C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000629583615 361467352 /nfs/dbraw/zinc/46/73/52/361467352.db2.gz GDQFFTADEXJYFC-GHMZBOCLSA-N 2 1 241.335 -0.438 20 0 BBADMP NC(=O)C[C@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000629583616 361467540 /nfs/dbraw/zinc/46/75/40/361467540.db2.gz GDQFFTADEXJYFC-MNOVXSKESA-N 2 1 241.335 -0.438 20 0 BBADMP NC(=O)C[C@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000629583617 361468124 /nfs/dbraw/zinc/46/81/24/361468124.db2.gz GDQFFTADEXJYFC-QWRGUYRKSA-N 2 1 241.335 -0.438 20 0 BBADMP NC(=O)C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000629583618 361467258 /nfs/dbraw/zinc/46/72/58/361467258.db2.gz GDQFFTADEXJYFC-WDEREUQCSA-N 2 1 241.335 -0.438 20 0 BBADMP OC[C@H]1C=C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000629584694 361473437 /nfs/dbraw/zinc/47/34/37/361473437.db2.gz WBGISVLHHCOLHY-XQQFMLRXSA-N 2 1 240.347 -0.030 20 0 BBADMP OC[C@H]1C=C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629584698 361473548 /nfs/dbraw/zinc/47/35/48/361473548.db2.gz WBGISVLHHCOLHY-YNEHKIRRSA-N 2 1 240.347 -0.030 20 0 BBADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCOCC[NH3+])C2 ZINC000629592322 361484967 /nfs/dbraw/zinc/48/49/67/361484967.db2.gz ADFPMEREVCIVTG-TXEJJXNPSA-N 3 1 227.352 -0.107 20 0 BBADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCOCC[NH3+])C2 ZINC000629592322 361484963 /nfs/dbraw/zinc/48/49/63/361484963.db2.gz ADFPMEREVCIVTG-TXEJJXNPSA-N 3 1 227.352 -0.107 20 0 BBADMP CC(=O)NC[C@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000629595090 361482355 /nfs/dbraw/zinc/48/23/55/361482355.db2.gz JLUIXVDBZGIXOD-GFCCVEGCSA-N 2 1 243.351 -0.048 20 0 BBADMP CC(=O)NC[C@@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000629595091 361482417 /nfs/dbraw/zinc/48/24/17/361482417.db2.gz JLUIXVDBZGIXOD-LBPRGKRZSA-N 2 1 243.351 -0.048 20 0 BBADMP COC[C@@]1(C)C[N@@H+](CCOCC[NH3+])CCO1 ZINC000629595494 361482479 /nfs/dbraw/zinc/48/24/79/361482479.db2.gz QNKKEDOTBXSQRX-LLVKDONJSA-N 2 1 232.324 -0.301 20 0 BBADMP COC[C@@]1(C)C[N@H+](CCOCC[NH3+])CCO1 ZINC000629595494 361482475 /nfs/dbraw/zinc/48/24/75/361482475.db2.gz QNKKEDOTBXSQRX-LLVKDONJSA-N 2 1 232.324 -0.301 20 0 BBADMP COC[C@]1(C)C[N@@H+](CCOCC[NH3+])CCO1 ZINC000629595495 361481560 /nfs/dbraw/zinc/48/15/60/361481560.db2.gz QNKKEDOTBXSQRX-NSHDSACASA-N 2 1 232.324 -0.301 20 0 BBADMP COC[C@]1(C)C[N@H+](CCOCC[NH3+])CCO1 ZINC000629595495 361481554 /nfs/dbraw/zinc/48/15/54/361481554.db2.gz QNKKEDOTBXSQRX-NSHDSACASA-N 2 1 232.324 -0.301 20 0 BBADMP CNS(=O)(=O)C[C@H]1CCC[N@@H+](CCC[NH3+])C1 ZINC000629595766 361483887 /nfs/dbraw/zinc/48/38/87/361483887.db2.gz XBIUEFXMUNZABV-JTQLQIEISA-N 2 1 249.380 -0.404 20 0 BBADMP CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CCC[NH3+])C1 ZINC000629595767 361483443 /nfs/dbraw/zinc/48/34/43/361483443.db2.gz XBIUEFXMUNZABV-SNVBAGLBSA-N 2 1 249.380 -0.404 20 0 BBADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+]([C@@H]1CCNC1=O)C2 ZINC000629596304 361483374 /nfs/dbraw/zinc/48/33/74/361483374.db2.gz WFYCBQFVWXRRTL-JLLWLGSASA-N 2 1 223.320 -0.194 20 0 BBADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+]([C@@H]1CCNC1=O)C2 ZINC000629596304 361483370 /nfs/dbraw/zinc/48/33/70/361483370.db2.gz WFYCBQFVWXRRTL-JLLWLGSASA-N 2 1 223.320 -0.194 20 0 BBADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+]([C@H]1CCNC1=O)C2 ZINC000629596306 361483395 /nfs/dbraw/zinc/48/33/95/361483395.db2.gz WFYCBQFVWXRRTL-ZMLRMANQSA-N 2 1 223.320 -0.194 20 0 BBADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+]([C@H]1CCNC1=O)C2 ZINC000629596306 361483394 /nfs/dbraw/zinc/48/33/94/361483394.db2.gz WFYCBQFVWXRRTL-ZMLRMANQSA-N 2 1 223.320 -0.194 20 0 BBADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1C[C@@H](O)C1)C1CC1 ZINC000629607423 361497666 /nfs/dbraw/zinc/49/76/66/361497666.db2.gz NGXVYWKMVLOVCJ-ADEWGFFLSA-N 2 1 228.336 -0.198 20 0 BBADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1C[C@@H](O)C1)C1CC1 ZINC000629607423 361497665 /nfs/dbraw/zinc/49/76/65/361497665.db2.gz NGXVYWKMVLOVCJ-ADEWGFFLSA-N 2 1 228.336 -0.198 20 0 BBADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1C[C@@H](O)C1)C1CC1 ZINC000629607427 361498227 /nfs/dbraw/zinc/49/82/27/361498227.db2.gz NGXVYWKMVLOVCJ-WCQGTBRESA-N 2 1 228.336 -0.198 20 0 BBADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1C[C@@H](O)C1)C1CC1 ZINC000629607427 361498224 /nfs/dbraw/zinc/49/82/24/361498224.db2.gz NGXVYWKMVLOVCJ-WCQGTBRESA-N 2 1 228.336 -0.198 20 0 BBADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCOC[C@H]1O)C1CC1 ZINC000629608193 361496296 /nfs/dbraw/zinc/49/62/96/361496296.db2.gz FOHUJCNLXJWOKK-IJLUTSLNSA-N 2 1 244.335 -0.819 20 0 BBADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCOC[C@H]1O)C1CC1 ZINC000629608193 361496293 /nfs/dbraw/zinc/49/62/93/361496293.db2.gz FOHUJCNLXJWOKK-IJLUTSLNSA-N 2 1 244.335 -0.819 20 0 BBADMP CC[N@@H+](CCN)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000629651021 361556142 /nfs/dbraw/zinc/55/61/42/361556142.db2.gz HDHXLAPUGOQILC-LLVKDONJSA-N 2 1 242.367 -0.536 20 0 BBADMP CC[N@H+](CCN)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000629651021 361556140 /nfs/dbraw/zinc/55/61/40/361556140.db2.gz HDHXLAPUGOQILC-LLVKDONJSA-N 2 1 242.367 -0.536 20 0 BBADMP CC[N@@H+](CCN)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000629651023 361555882 /nfs/dbraw/zinc/55/58/82/361555882.db2.gz HDHXLAPUGOQILC-NSHDSACASA-N 2 1 242.367 -0.536 20 0 BBADMP CC[N@H+](CCN)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000629651023 361555877 /nfs/dbraw/zinc/55/58/77/361555877.db2.gz HDHXLAPUGOQILC-NSHDSACASA-N 2 1 242.367 -0.536 20 0 BBADMP C[NH2+]CCOCCN(C)CC1(C[NH3+])CC1 ZINC000629652673 361551138 /nfs/dbraw/zinc/55/11/38/361551138.db2.gz BWVLANLCEZJOEJ-UHFFFAOYSA-N 2 1 215.341 -0.107 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)CC1(C[NH3+])CC1 ZINC000629652673 361551136 /nfs/dbraw/zinc/55/11/36/361551136.db2.gz BWVLANLCEZJOEJ-UHFFFAOYSA-N 3 1 215.341 -0.107 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000629654878 361558687 /nfs/dbraw/zinc/55/86/87/361558687.db2.gz TVXSRSVLQJZGAE-NEPJUHHUSA-N 3 1 227.352 -0.236 20 0 BBADMP C[NH2+]CCOCC[N@H+](C)C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000629654878 361558684 /nfs/dbraw/zinc/55/86/84/361558684.db2.gz TVXSRSVLQJZGAE-NEPJUHHUSA-N 3 1 227.352 -0.236 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)C[C@]12C[C@H]1C[NH2+]C2 ZINC000629654880 361559072 /nfs/dbraw/zinc/55/90/72/361559072.db2.gz TVXSRSVLQJZGAE-NWDGAFQWSA-N 3 1 227.352 -0.236 20 0 BBADMP C[NH2+]CCOCC[N@H+](C)C[C@]12C[C@H]1C[NH2+]C2 ZINC000629654880 361559067 /nfs/dbraw/zinc/55/90/67/361559067.db2.gz TVXSRSVLQJZGAE-NWDGAFQWSA-N 3 1 227.352 -0.236 20 0 BBADMP CN(CCOCC[NH3+])C[C@]1(C)CC[NH2+]C1 ZINC000629665011 361587833 /nfs/dbraw/zinc/58/78/33/361587833.db2.gz MWXBTZSKENRDRJ-LLVKDONJSA-N 2 1 215.341 -0.107 20 0 BBADMP C[N@@H+](CCOCC[NH3+])C[C@]1(C)CC[NH2+]C1 ZINC000629665011 361587829 /nfs/dbraw/zinc/58/78/29/361587829.db2.gz MWXBTZSKENRDRJ-LLVKDONJSA-N 3 1 215.341 -0.107 20 0 BBADMP CN(CCOCC[NH3+])C[C@@]1(C)CC[NH2+]C1 ZINC000629665019 361587512 /nfs/dbraw/zinc/58/75/12/361587512.db2.gz MWXBTZSKENRDRJ-NSHDSACASA-N 2 1 215.341 -0.107 20 0 BBADMP C[N@@H+](CCOCC[NH3+])C[C@@]1(C)CC[NH2+]C1 ZINC000629665019 361587510 /nfs/dbraw/zinc/58/75/10/361587510.db2.gz MWXBTZSKENRDRJ-NSHDSACASA-N 3 1 215.341 -0.107 20 0 BBADMP C[N@@H+](CCOCC[NH3+])C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000629665145 361587394 /nfs/dbraw/zinc/58/73/94/361587394.db2.gz NWRYGQNDDSSOOE-MNOVXSKESA-N 3 1 213.325 -0.497 20 0 BBADMP C[N@H+](CCOCC[NH3+])C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000629665145 361587392 /nfs/dbraw/zinc/58/73/92/361587392.db2.gz NWRYGQNDDSSOOE-MNOVXSKESA-N 3 1 213.325 -0.497 20 0 BBADMP C[N@@H+](CCOCC[NH3+])C[C@]12C[C@H]1C[NH2+]C2 ZINC000629665696 361587662 /nfs/dbraw/zinc/58/76/62/361587662.db2.gz NWRYGQNDDSSOOE-WDEREUQCSA-N 3 1 213.325 -0.497 20 0 BBADMP C[N@H+](CCOCC[NH3+])C[C@]12C[C@H]1C[NH2+]C2 ZINC000629665696 361587658 /nfs/dbraw/zinc/58/76/58/361587658.db2.gz NWRYGQNDDSSOOE-WDEREUQCSA-N 3 1 213.325 -0.497 20 0 BBADMP CN(CCOCC[NH3+])CC1(C[NH3+])CC1 ZINC000629665872 361587785 /nfs/dbraw/zinc/58/77/85/361587785.db2.gz QLZFOZYQLNKGQQ-UHFFFAOYSA-N 2 1 201.314 -0.368 20 0 BBADMP C[N@@H+](CCOCC[NH3+])CC1(C[NH3+])CC1 ZINC000629665872 361587782 /nfs/dbraw/zinc/58/77/82/361587782.db2.gz QLZFOZYQLNKGQQ-UHFFFAOYSA-N 3 1 201.314 -0.368 20 0 BBADMP [NH3+]CCCOCCNC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000629681645 361603073 /nfs/dbraw/zinc/60/30/73/361603073.db2.gz SHNHVNWHTABFEJ-GHMZBOCLSA-N 2 1 213.325 -0.449 20 0 BBADMP [NH3+]CCCOCCNC[C@]12C[C@H]1C[NH2+]C2 ZINC000629681647 361602816 /nfs/dbraw/zinc/60/28/16/361602816.db2.gz SHNHVNWHTABFEJ-QWRGUYRKSA-N 2 1 213.325 -0.449 20 0 BBADMP [NH3+]CCCOCC[NH2+][C@H]1CCCNC1 ZINC000629681774 361602904 /nfs/dbraw/zinc/60/29/04/361602904.db2.gz UMBSYBVPINEXCX-JTQLQIEISA-N 2 1 201.314 -0.307 20 0 BBADMP [NH3+]CCCOCC[NH2+][C@@H]1CCCNC1 ZINC000629681778 361602724 /nfs/dbraw/zinc/60/27/24/361602724.db2.gz UMBSYBVPINEXCX-SNVBAGLBSA-N 2 1 201.314 -0.307 20 0 BBADMP CC(C)[NH+](C)CC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629912432 361766312 /nfs/dbraw/zinc/76/63/12/361766312.db2.gz HGDBPXOZOTULBA-NSHDSACASA-N 2 1 243.351 -0.491 20 0 BBADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629912432 361766309 /nfs/dbraw/zinc/76/63/09/361766309.db2.gz HGDBPXOZOTULBA-NSHDSACASA-N 2 1 243.351 -0.491 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000629912432 361766301 /nfs/dbraw/zinc/76/63/01/361766301.db2.gz HGDBPXOZOTULBA-NSHDSACASA-N 2 1 243.351 -0.491 20 0 BBADMP CC[NH+](CC)CC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629912819 361766713 /nfs/dbraw/zinc/76/67/13/361766713.db2.gz NORGZEYJMOIQLB-NSHDSACASA-N 2 1 243.351 -0.489 20 0 BBADMP C[NH+]1CCC[C@H]1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629912947 361767114 /nfs/dbraw/zinc/76/71/14/361767114.db2.gz CGOCEGBMMYIXBM-QWRGUYRKSA-N 2 1 241.335 -0.737 20 0 BBADMP C[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629912947 361767111 /nfs/dbraw/zinc/76/71/11/361767111.db2.gz CGOCEGBMMYIXBM-QWRGUYRKSA-N 2 1 241.335 -0.737 20 0 BBADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000629912947 361767109 /nfs/dbraw/zinc/76/71/09/361767109.db2.gz CGOCEGBMMYIXBM-QWRGUYRKSA-N 2 1 241.335 -0.737 20 0 BBADMP C[NH+]1CCC[C@@H]1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629912948 361766581 /nfs/dbraw/zinc/76/65/81/361766581.db2.gz CGOCEGBMMYIXBM-WDEREUQCSA-N 2 1 241.335 -0.737 20 0 BBADMP C[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629912948 361766575 /nfs/dbraw/zinc/76/65/75/361766575.db2.gz CGOCEGBMMYIXBM-WDEREUQCSA-N 2 1 241.335 -0.737 20 0 BBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000629912948 361766569 /nfs/dbraw/zinc/76/65/69/361766569.db2.gz CGOCEGBMMYIXBM-WDEREUQCSA-N 2 1 241.335 -0.737 20 0 BBADMP C[NH+]1CC[C@@H](C(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000629912969 361767025 /nfs/dbraw/zinc/76/70/25/361767025.db2.gz DBKUUNFEQPHCQP-MNOVXSKESA-N 2 1 241.335 -0.879 20 0 BBADMP C[NH+]1CC[C@@H](C(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000629912969 361767021 /nfs/dbraw/zinc/76/70/21/361767021.db2.gz DBKUUNFEQPHCQP-MNOVXSKESA-N 2 1 241.335 -0.879 20 0 BBADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000629912969 361767017 /nfs/dbraw/zinc/76/70/17/361767017.db2.gz DBKUUNFEQPHCQP-MNOVXSKESA-N 2 1 241.335 -0.879 20 0 BBADMP C[NH+]1CC[C@H](C(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000629912970 361766183 /nfs/dbraw/zinc/76/61/83/361766183.db2.gz DBKUUNFEQPHCQP-QWRGUYRKSA-N 2 1 241.335 -0.879 20 0 BBADMP C[NH+]1CC[C@H](C(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000629912970 361766176 /nfs/dbraw/zinc/76/61/76/361766176.db2.gz DBKUUNFEQPHCQP-QWRGUYRKSA-N 2 1 241.335 -0.879 20 0 BBADMP C[N@H+]1CC[C@H](C(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000629912970 361766170 /nfs/dbraw/zinc/76/61/70/361766170.db2.gz DBKUUNFEQPHCQP-QWRGUYRKSA-N 2 1 241.335 -0.879 20 0 BBADMP CCC[NH+](C)CC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629913168 361769798 /nfs/dbraw/zinc/76/97/98/361769798.db2.gz HOLUFWSWNUIOCA-NSHDSACASA-N 2 1 243.351 -0.489 20 0 BBADMP CCC[NH+](C)CC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629913168 361769796 /nfs/dbraw/zinc/76/97/96/361769796.db2.gz HOLUFWSWNUIOCA-NSHDSACASA-N 2 1 243.351 -0.489 20 0 BBADMP CCC[N@@H+](C)CC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000629913168 361769792 /nfs/dbraw/zinc/76/97/92/361769792.db2.gz HOLUFWSWNUIOCA-NSHDSACASA-N 2 1 243.351 -0.489 20 0 BBADMP C[C@@H](C(=O)NCC[N@H+]1CC[C@H](O)C1)[NH+](C)C ZINC000629913275 361769592 /nfs/dbraw/zinc/76/95/92/361769592.db2.gz BMMWUBOIVLEFDW-UWVGGRQHSA-N 2 1 229.324 -0.881 20 0 BBADMP CC[C@@H](C(=O)NCC[N@H+]1CC[C@H](O)C1)[NH+](C)C ZINC000629915606 361770841 /nfs/dbraw/zinc/77/08/41/361770841.db2.gz XKKYLUMVXWTQKO-QWRGUYRKSA-N 2 1 243.351 -0.491 20 0 BBADMP CC[C@H](C(=O)NCC[N@H+]1CC[C@H](O)C1)[NH+](C)C ZINC000629915608 361770362 /nfs/dbraw/zinc/77/03/62/361770362.db2.gz XKKYLUMVXWTQKO-WDEREUQCSA-N 2 1 243.351 -0.491 20 0 BBADMP C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCC1 ZINC000629999985 361885267 /nfs/dbraw/zinc/88/52/67/361885267.db2.gz FBKYSFNHAPRMBZ-JTQLQIEISA-N 2 1 241.335 -0.425 20 0 BBADMP C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCC1 ZINC000629999985 361885261 /nfs/dbraw/zinc/88/52/61/361885261.db2.gz FBKYSFNHAPRMBZ-JTQLQIEISA-N 2 1 241.335 -0.425 20 0 BBADMP C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCC1 ZINC000629999987 361884610 /nfs/dbraw/zinc/88/46/10/361884610.db2.gz FBKYSFNHAPRMBZ-SNVBAGLBSA-N 2 1 241.335 -0.425 20 0 BBADMP C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCC1 ZINC000629999987 361884604 /nfs/dbraw/zinc/88/46/04/361884604.db2.gz FBKYSFNHAPRMBZ-SNVBAGLBSA-N 2 1 241.335 -0.425 20 0 BBADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1COCC[NH2+]1 ZINC000630092591 363515672 /nfs/dbraw/zinc/51/56/72/363515672.db2.gz LDMQJOZCDIHNAW-JTQLQIEISA-N 2 1 238.291 -0.704 20 0 BBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000630092593 363516086 /nfs/dbraw/zinc/51/60/86/363516086.db2.gz LDMQJOZCDIHNAW-SNVBAGLBSA-N 2 1 238.291 -0.704 20 0 BBADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631111375 343651854 /nfs/dbraw/zinc/65/18/54/343651854.db2.gz IHFSPNNVHLAISC-GFCCVEGCSA-N 2 1 237.303 -0.057 20 0 BBADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631111375 343651853 /nfs/dbraw/zinc/65/18/53/343651853.db2.gz IHFSPNNVHLAISC-GFCCVEGCSA-N 2 1 237.303 -0.057 20 0 BBADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631111378 343651825 /nfs/dbraw/zinc/65/18/25/343651825.db2.gz IHFSPNNVHLAISC-LBPRGKRZSA-N 2 1 237.303 -0.057 20 0 BBADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631111378 343651823 /nfs/dbraw/zinc/65/18/23/343651823.db2.gz IHFSPNNVHLAISC-LBPRGKRZSA-N 2 1 237.303 -0.057 20 0 BBADMP CNS(=O)(=O)CCC[NH2+]C1CC[NH+](C)CC1 ZINC000631244561 372257132 /nfs/dbraw/zinc/25/71/32/372257132.db2.gz BDCZOZSAMKBOTD-UHFFFAOYSA-N 2 1 249.380 -0.391 20 0 BBADMP C[N@H+]1CC[C@@H]2CN(c3nc(N)[nH+]c(N)n3)C[C@@H]2C1 ZINC000631327514 372296898 /nfs/dbraw/zinc/29/68/98/372296898.db2.gz QIMLHIBABBYJKR-SFYZADRCSA-N 2 1 249.322 -0.915 20 0 BBADMP C[NH+](C)CCCS(=O)(=O)N[C@H]1CC[N@@H+](C)C1 ZINC000631786194 372573412 /nfs/dbraw/zinc/57/34/12/372573412.db2.gz STECZKWPVJLXAJ-JTQLQIEISA-N 2 1 249.380 -0.438 20 0 BBADMP C[NH+](C)CCCS(=O)(=O)N[C@@H]1CC[N@@H+](C)C1 ZINC000631786195 372573529 /nfs/dbraw/zinc/57/35/29/372573529.db2.gz STECZKWPVJLXAJ-SNVBAGLBSA-N 2 1 249.380 -0.438 20 0 BBADMP c1nc2n(n1)[C@H](C[N@@H+]1C[C@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000631825740 372603331 /nfs/dbraw/zinc/60/33/31/372603331.db2.gz RRUQMNLQRCNWQT-AXFHLTTASA-N 2 1 233.319 -0.083 20 0 BBADMP c1nc2n(n1)[C@@H](C[N@@H+]1C[C@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000631825741 372604541 /nfs/dbraw/zinc/60/45/41/372604541.db2.gz RRUQMNLQRCNWQT-OUAUKWLOSA-N 2 1 233.319 -0.083 20 0 BBADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000631827563 372607710 /nfs/dbraw/zinc/60/77/10/372607710.db2.gz QLZIYRABZVHOHL-AEJSXWLSSA-N 2 1 202.298 -0.337 20 0 BBADMP C[C@@H]1OCC[C@H]1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000631827564 372607442 /nfs/dbraw/zinc/60/74/42/372607442.db2.gz QLZIYRABZVHOHL-GUBZILKMSA-N 2 1 202.298 -0.337 20 0 BBADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000631827565 372605752 /nfs/dbraw/zinc/60/57/52/372605752.db2.gz QLZIYRABZVHOHL-IVZWLZJFSA-N 2 1 202.298 -0.337 20 0 BBADMP C[C@@H]1OCC[C@H]1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000631827566 372606144 /nfs/dbraw/zinc/60/61/44/372606144.db2.gz QLZIYRABZVHOHL-LPEHRKFASA-N 2 1 202.298 -0.337 20 0 BBADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CCc2ncnn21 ZINC000631830422 372612729 /nfs/dbraw/zinc/61/27/29/372612729.db2.gz RKVSGJFVKNADIA-JTQLQIEISA-N 2 1 239.323 -0.328 20 0 BBADMP C[N@@H+](CCOCC[NH3+])C[C@H]1CCc2ncnn21 ZINC000631830423 372613421 /nfs/dbraw/zinc/61/34/21/372613421.db2.gz RKVSGJFVKNADIA-SNVBAGLBSA-N 2 1 239.323 -0.328 20 0 BBADMP C[C@@H]1C[N@@H+](CCS(=O)(=O)N(C)C)C[C@H]1C[NH3+] ZINC000631836904 372625876 /nfs/dbraw/zinc/62/58/76/372625876.db2.gz JCDUBWNABAFZFW-NXEZZACHSA-N 2 1 249.380 -0.596 20 0 BBADMP C[C@@H]1C[N@H+](CCS(=O)(=O)N(C)C)C[C@H]1C[NH3+] ZINC000631836904 372625873 /nfs/dbraw/zinc/62/58/73/372625873.db2.gz JCDUBWNABAFZFW-NXEZZACHSA-N 2 1 249.380 -0.596 20 0 BBADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1C[NH3+] ZINC000631837160 372627926 /nfs/dbraw/zinc/62/79/26/372627926.db2.gz NQXSYTDNFMGOFU-NXEZZACHSA-N 2 1 209.297 -0.195 20 0 BBADMP C[C@@H]1CN(C[C@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000631837252 372626944 /nfs/dbraw/zinc/62/69/44/372626944.db2.gz PUMGLBVDFYFTOU-GMTAPVOTSA-N 2 1 213.325 -0.499 20 0 BBADMP C[C@@H]1C[N@@H+](C[C@H]2CNCCO2)C[C@H]1C[NH3+] ZINC000631837252 372626938 /nfs/dbraw/zinc/62/69/38/372626938.db2.gz PUMGLBVDFYFTOU-GMTAPVOTSA-N 2 1 213.325 -0.499 20 0 BBADMP C[C@@H]1CN(C[C@@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000631837253 372627785 /nfs/dbraw/zinc/62/77/85/372627785.db2.gz PUMGLBVDFYFTOU-MXWKQRLJSA-N 2 1 213.325 -0.499 20 0 BBADMP C[C@@H]1C[N@@H+](C[C@@H]2CNCCO2)C[C@H]1C[NH3+] ZINC000631837253 372627782 /nfs/dbraw/zinc/62/77/82/372627782.db2.gz PUMGLBVDFYFTOU-MXWKQRLJSA-N 2 1 213.325 -0.499 20 0 BBADMP C[C@@H]1C[N@@H+](CCOCC[NH3+])C[C@H]1C[NH3+] ZINC000631837318 372627452 /nfs/dbraw/zinc/62/74/52/372627452.db2.gz ALTGZPGBHNIXGT-NXEZZACHSA-N 3 1 201.314 -0.512 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837808 372629513 /nfs/dbraw/zinc/62/95/13/372629513.db2.gz XGMRDLQLUPIUEN-MXWKQRLJSA-N 3 1 215.341 -0.517 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837808 372629505 /nfs/dbraw/zinc/62/95/05/372629505.db2.gz XGMRDLQLUPIUEN-MXWKQRLJSA-N 3 1 215.341 -0.517 20 0 BBADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1C[NH3+] ZINC000631838335 372631841 /nfs/dbraw/zinc/63/18/41/372631841.db2.gz MMDMEPJPUOPUOC-BBBLOLIVSA-N 2 1 211.309 -0.256 20 0 BBADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1C[NH3+] ZINC000631838337 372625762 /nfs/dbraw/zinc/62/57/62/372625762.db2.gz MMDMEPJPUOPUOC-OPRDCNLKSA-N 2 1 211.309 -0.256 20 0 BBADMP C[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000631838550 372631902 /nfs/dbraw/zinc/63/19/02/372631902.db2.gz QGRSDNWGHAWNOQ-VXGBXAGGSA-N 3 1 226.368 -0.582 20 0 BBADMP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838580 372632107 /nfs/dbraw/zinc/63/21/07/372632107.db2.gz QRJVCYBJDKTEHQ-KXUCPTDWSA-N 2 1 213.325 -0.010 20 0 BBADMP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838581 372632384 /nfs/dbraw/zinc/63/23/84/372632384.db2.gz QRJVCYBJDKTEHQ-OPRDCNLKSA-N 2 1 213.325 -0.010 20 0 BBADMP C[C@@H]1C[N@@H+](CCC(=O)N(C)C)C[C@H]1C[NH3+] ZINC000631838616 372634541 /nfs/dbraw/zinc/63/45/41/372634541.db2.gz RJYABOKFZAMFDQ-NXEZZACHSA-N 2 1 213.325 -0.009 20 0 BBADMP COCCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838899 372633899 /nfs/dbraw/zinc/63/38/99/372633899.db2.gz WRXLKMKTTVQCCN-GHMZBOCLSA-N 2 1 243.351 -0.334 20 0 BBADMP COCCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838899 372633892 /nfs/dbraw/zinc/63/38/92/372633892.db2.gz WRXLKMKTTVQCCN-GHMZBOCLSA-N 2 1 243.351 -0.334 20 0 BBADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839336 372637062 /nfs/dbraw/zinc/63/70/62/372637062.db2.gz DUXDBNLGPJUJDJ-NXEZZACHSA-N 2 1 249.380 -0.548 20 0 BBADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839336 372637057 /nfs/dbraw/zinc/63/70/57/372637057.db2.gz DUXDBNLGPJUJDJ-NXEZZACHSA-N 2 1 249.380 -0.548 20 0 BBADMP CNS(=O)(=O)CCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839548 372635396 /nfs/dbraw/zinc/63/53/96/372635396.db2.gz HQSFAKMGRUKKLP-NXEZZACHSA-N 2 1 249.380 -0.548 20 0 BBADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839556 369142921 /nfs/dbraw/zinc/14/29/21/369142921.db2.gz HRTAFINYEIBHAX-GHMZBOCLSA-N 2 1 243.351 -0.334 20 0 BBADMP CCOCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839556 369142917 /nfs/dbraw/zinc/14/29/17/369142917.db2.gz HRTAFINYEIBHAX-GHMZBOCLSA-N 2 1 243.351 -0.334 20 0 BBADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000631839698 369169863 /nfs/dbraw/zinc/16/98/63/369169863.db2.gz JSTMKULNNXNJTE-RKDXNWHRSA-N 2 1 235.353 -0.938 20 0 BBADMP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000631839698 369169860 /nfs/dbraw/zinc/16/98/60/369169860.db2.gz JSTMKULNNXNJTE-RKDXNWHRSA-N 2 1 235.353 -0.938 20 0 BBADMP C[C@H]1C[N@@H+](CCN2CCOCC2)C[C@H]1C[NH3+] ZINC000631839775 372636747 /nfs/dbraw/zinc/63/67/47/372636747.db2.gz KRWXUHBZBLWYEE-NWDGAFQWSA-N 2 1 227.352 -0.155 20 0 BBADMP C[C@@H]1C[N@@H+](CCN2CCOCC2)C[C@H]1C[NH3+] ZINC000631839777 372635578 /nfs/dbraw/zinc/63/55/78/372635578.db2.gz KRWXUHBZBLWYEE-VXGBXAGGSA-N 2 1 227.352 -0.155 20 0 BBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1C[NH3+] ZINC000631841890 372638057 /nfs/dbraw/zinc/63/80/57/372638057.db2.gz RLPTYBONXKQFHY-RKDXNWHRSA-N 2 1 240.307 -0.935 20 0 BBADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C[NH3+] ZINC000631842296 369365264 /nfs/dbraw/zinc/36/52/64/369365264.db2.gz YHBYOJVZXDAZIH-NXEZZACHSA-N 2 1 239.319 -0.338 20 0 BBADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C[NH3+] ZINC000631844040 372640685 /nfs/dbraw/zinc/64/06/85/372640685.db2.gz USVGFNUATSPXSU-RKDXNWHRSA-N 2 1 211.309 -0.208 20 0 BBADMP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C[NH3+] ZINC000631844040 372640680 /nfs/dbraw/zinc/64/06/80/372640680.db2.gz USVGFNUATSPXSU-RKDXNWHRSA-N 2 1 211.309 -0.208 20 0 BBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C[NH3+] ZINC000631844886 372642580 /nfs/dbraw/zinc/64/25/80/372642580.db2.gz OPHNMBPYCZLGFZ-GHMZBOCLSA-N 2 1 241.335 -0.628 20 0 BBADMP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C[NH3+] ZINC000631844886 372642577 /nfs/dbraw/zinc/64/25/77/372642577.db2.gz OPHNMBPYCZLGFZ-GHMZBOCLSA-N 2 1 241.335 -0.628 20 0 BBADMP C[C@@H](C[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631848066 372645241 /nfs/dbraw/zinc/64/52/41/372645241.db2.gz LSLUFFJVUOEAKG-SRVKXCTJSA-N 2 1 225.336 -0.247 20 0 BBADMP C[C@H](C[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631848067 372644960 /nfs/dbraw/zinc/64/49/60/372644960.db2.gz LSLUFFJVUOEAKG-WOPDTQHZSA-N 2 1 225.336 -0.247 20 0 BBADMP C[C@H]1C[N@@H+](CCN2C[C@@H]3C[C@H]2C[NH2+]3)CCO1 ZINC000631848106 372644826 /nfs/dbraw/zinc/64/48/26/372644826.db2.gz MYQMIVMTVRIDLB-SRVKXCTJSA-N 2 1 225.336 -0.247 20 0 BBADMP C[C@H]1C[N@H+](CCN2C[C@@H]3C[C@H]2C[NH2+]3)CCO1 ZINC000631848106 372644818 /nfs/dbraw/zinc/64/48/18/372644818.db2.gz MYQMIVMTVRIDLB-SRVKXCTJSA-N 2 1 225.336 -0.247 20 0 BBADMP C[C@@H]1C[N@@H+](CCN2C[C@@H]3C[C@H]2C[NH2+]3)CCO1 ZINC000631848107 372645000 /nfs/dbraw/zinc/64/50/00/372645000.db2.gz MYQMIVMTVRIDLB-WOPDTQHZSA-N 2 1 225.336 -0.247 20 0 BBADMP C[C@@H]1C[N@H+](CCN2C[C@@H]3C[C@H]2C[NH2+]3)CCO1 ZINC000631848107 372644996 /nfs/dbraw/zinc/64/49/96/372644996.db2.gz MYQMIVMTVRIDLB-WOPDTQHZSA-N 2 1 225.336 -0.247 20 0 BBADMP C(CN1C[C@@H]2C[C@H]1C[NH2+]2)C[NH+]1CCOCC1 ZINC000631848695 372646320 /nfs/dbraw/zinc/64/63/20/372646320.db2.gz IPVPZKKGRQMSTH-RYUDHWBXSA-N 2 1 225.336 -0.245 20 0 BBADMP C(C[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631849247 372647339 /nfs/dbraw/zinc/64/73/39/372647339.db2.gz BXKOHOHXKSETKI-QWRGUYRKSA-N 2 1 211.309 -0.635 20 0 BBADMP COC[C@@H](C[NH+]1CCC([NH2+]CCO)CC1)OC ZINC000631862427 372663147 /nfs/dbraw/zinc/66/31/47/372663147.db2.gz PNXOHPILPAJWDW-GFCCVEGCSA-N 2 1 246.351 -0.306 20 0 BBADMP COC[C@H](C[NH+]1CCC([NH2+]CCO)CC1)OC ZINC000631862428 372663329 /nfs/dbraw/zinc/66/33/29/372663329.db2.gz PNXOHPILPAJWDW-LBPRGKRZSA-N 2 1 246.351 -0.306 20 0 BBADMP [NH3+]Cc1nc(CN[C@]23CCC[C@@H]2C[NH2+]C3)no1 ZINC000631868077 372670673 /nfs/dbraw/zinc/67/06/73/372670673.db2.gz VVKRTQKBCZRHAC-KCJUWKMLSA-N 2 1 237.307 -0.240 20 0 BBADMP C[NH+](C)C1(CS(=O)(=O)NCCC[NH3+])CC1 ZINC000631901010 372688916 /nfs/dbraw/zinc/68/89/16/372688916.db2.gz OQIFXMQPAFVINA-UHFFFAOYSA-N 2 1 235.353 -0.651 20 0 BBADMP C[NH+](C)C1(CS(=O)(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000631901313 362905083 /nfs/dbraw/zinc/90/50/83/362905083.db2.gz YLRIMPYHWBKRGZ-SECBINFHSA-N 2 1 247.364 -0.557 20 0 BBADMP C[NH+](C)C1(CS(=O)(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000631901449 372688510 /nfs/dbraw/zinc/68/85/10/372688510.db2.gz CVVUUHIOUAXCSF-SECBINFHSA-N 2 1 247.364 -0.638 20 0 BBADMP C[NH+](C)C1(CS(=O)(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000631901450 372688032 /nfs/dbraw/zinc/68/80/32/372688032.db2.gz CVVUUHIOUAXCSF-VIFPVBQESA-N 2 1 247.364 -0.638 20 0 BBADMP C[NH2+]CCCNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631901611 372690614 /nfs/dbraw/zinc/69/06/14/372690614.db2.gz JAICBBJXGYSJJT-UHFFFAOYSA-N 2 1 249.380 -0.391 20 0 BBADMP C[C@H]1C[NH2+]CCN1S(=O)(=O)CCC[NH+](C)C ZINC000631902697 372689891 /nfs/dbraw/zinc/68/98/91/372689891.db2.gz OYVRQKPMYRHBOK-JTQLQIEISA-N 2 1 249.380 -0.438 20 0 BBADMP C[C@@H]1C[NH2+]CCN1S(=O)(=O)CCC[NH+](C)C ZINC000631902698 372689867 /nfs/dbraw/zinc/68/98/67/372689867.db2.gz OYVRQKPMYRHBOK-SNVBAGLBSA-N 2 1 249.380 -0.438 20 0 BBADMP C[C@H]([NH3+])CCNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631902849 372691053 /nfs/dbraw/zinc/69/10/53/372691053.db2.gz SFSVDFJSCFZIMP-VIFPVBQESA-N 2 1 249.380 -0.263 20 0 BBADMP C[NH+](C)C1(CS(=O)(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000631903103 362910207 /nfs/dbraw/zinc/91/02/07/362910207.db2.gz YLRIMPYHWBKRGZ-VIFPVBQESA-N 2 1 247.364 -0.557 20 0 BBADMP C[NH2+]CCNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631903363 362909933 /nfs/dbraw/zinc/90/99/33/362909933.db2.gz GSSNOUXMGAPCPA-UHFFFAOYSA-N 2 1 235.353 -0.781 20 0 BBADMP CC[NH2+]CCNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631903640 372690167 /nfs/dbraw/zinc/69/01/67/372690167.db2.gz PINVQZKWSNZNQM-UHFFFAOYSA-N 2 1 249.380 -0.391 20 0 BBADMP C[NH+](C)C1(CS(=O)(=O)NC(C)(C)C[NH3+])CC1 ZINC000631903929 372690068 /nfs/dbraw/zinc/69/00/68/372690068.db2.gz ZEQGKEYNXQVQCC-UHFFFAOYSA-N 2 1 249.380 -0.263 20 0 BBADMP C[C@H]1CN(S(=O)(=O)CCC[NH+](C)C)CC[NH2+]1 ZINC000631904017 372690260 /nfs/dbraw/zinc/69/02/60/372690260.db2.gz AZZOYBMCKBJBIX-JTQLQIEISA-N 2 1 249.380 -0.438 20 0 BBADMP C[C@@H]1CN(S(=O)(=O)CCC[NH+](C)C)CC[NH2+]1 ZINC000631904018 372690080 /nfs/dbraw/zinc/69/00/80/372690080.db2.gz AZZOYBMCKBJBIX-SNVBAGLBSA-N 2 1 249.380 -0.438 20 0 BBADMP C[C@H](C[NH3+])N(C)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631904086 372689938 /nfs/dbraw/zinc/68/99/38/372689938.db2.gz DCTYSSFEEIVDRV-SECBINFHSA-N 2 1 249.380 -0.311 20 0 BBADMP C[C@@H](C[NH3+])N(C)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631904087 372690491 /nfs/dbraw/zinc/69/04/91/372690491.db2.gz DCTYSSFEEIVDRV-VIFPVBQESA-N 2 1 249.380 -0.311 20 0 BBADMP CN(CCC[NH3+])S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631905993 362920303 /nfs/dbraw/zinc/92/03/03/362920303.db2.gz ZVEIGGOVZTYEPS-UHFFFAOYSA-N 2 1 249.380 -0.309 20 0 BBADMP C[NH+](C)C1(CS(=O)(=O)NCC(C)(C)[NH3+])CC1 ZINC000631906535 372691926 /nfs/dbraw/zinc/69/19/26/372691926.db2.gz OXTDVVWCVYNUJW-UHFFFAOYSA-N 2 1 249.380 -0.263 20 0 BBADMP C[C@H](C[NH3+])NS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631929986 372696928 /nfs/dbraw/zinc/69/69/28/372696928.db2.gz TUQLEUCIMRWHGU-MRVPVSSYSA-N 2 1 235.353 -0.653 20 0 BBADMP C[C@@H]([NH3+])CNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631931432 372696454 /nfs/dbraw/zinc/69/64/54/372696454.db2.gz CMHLXPLGDLJTMI-MRVPVSSYSA-N 2 1 235.353 -0.653 20 0 BBADMP C[C@H]([NH3+])CNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631931433 372696986 /nfs/dbraw/zinc/69/69/86/372696986.db2.gz CMHLXPLGDLJTMI-QMMMGPOBSA-N 2 1 235.353 -0.653 20 0 BBADMP C[NH+](C)C1(CS(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000631931777 372697057 /nfs/dbraw/zinc/69/70/57/372697057.db2.gz NNZRERNKVMJNKW-KYZUINATSA-N 2 1 247.364 -0.510 20 0 BBADMP C[C@H](CC[NH3+])NS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631932232 372693616 /nfs/dbraw/zinc/69/36/16/372693616.db2.gz RQBFUTVNIFYREV-SECBINFHSA-N 2 1 249.380 -0.263 20 0 BBADMP C[C@@H](CC[NH3+])NS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631932233 372693251 /nfs/dbraw/zinc/69/32/51/372693251.db2.gz RQBFUTVNIFYREV-VIFPVBQESA-N 2 1 249.380 -0.263 20 0 BBADMP C[NH+](C)C1(CS(=O)(=O)N[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000631932339 372696067 /nfs/dbraw/zinc/69/60/67/372696067.db2.gz NNZRERNKVMJNKW-DTORHVGOSA-N 2 1 247.364 -0.510 20 0 BBADMP C[C@H](C[NH3+])CNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631932687 372697144 /nfs/dbraw/zinc/69/71/44/372697144.db2.gz XYIXLKUKOHUTNP-SECBINFHSA-N 2 1 249.380 -0.405 20 0 BBADMP C[C@@H](C[NH3+])CNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631932688 372696624 /nfs/dbraw/zinc/69/66/24/372696624.db2.gz XYIXLKUKOHUTNP-VIFPVBQESA-N 2 1 249.380 -0.405 20 0 BBADMP CN(C1C[NH2+]C1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631937852 362992009 /nfs/dbraw/zinc/99/20/09/362992009.db2.gz MYJJQEZAKHFJOM-UHFFFAOYSA-N 2 1 247.364 -0.686 20 0 BBADMP CC[C@@H]([NH3+])CNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631939830 372698728 /nfs/dbraw/zinc/69/87/28/372698728.db2.gz KKDDBHCXLOKBBF-SECBINFHSA-N 2 1 249.380 -0.263 20 0 BBADMP CC[C@H]([NH3+])CNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631939831 372697990 /nfs/dbraw/zinc/69/79/90/372697990.db2.gz KKDDBHCXLOKBBF-VIFPVBQESA-N 2 1 249.380 -0.263 20 0 BBADMP C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631940156 372699459 /nfs/dbraw/zinc/69/94/59/372699459.db2.gz QERHPBAJECEYIZ-BDAKNGLRSA-N 2 1 249.380 -0.264 20 0 BBADMP C[C@@H](NS(=O)(=O)CC1([NH+](C)C)CC1)[C@H](C)[NH3+] ZINC000631940157 372700013 /nfs/dbraw/zinc/70/00/13/372700013.db2.gz QERHPBAJECEYIZ-DTWKUNHWSA-N 2 1 249.380 -0.264 20 0 BBADMP C[C@H]([NH3+])[C@H](C)NS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631940158 372699356 /nfs/dbraw/zinc/69/93/56/372699356.db2.gz QERHPBAJECEYIZ-IUCAKERBSA-N 2 1 249.380 -0.264 20 0 BBADMP C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631940159 372700053 /nfs/dbraw/zinc/70/00/53/372700053.db2.gz QERHPBAJECEYIZ-RKDXNWHRSA-N 2 1 249.380 -0.264 20 0 BBADMP CN(CC[NH3+])S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631945018 372701869 /nfs/dbraw/zinc/70/18/69/372701869.db2.gz NDZJLALUHDJTCJ-UHFFFAOYSA-N 2 1 235.353 -0.699 20 0 BBADMP C[NH2+]C[C@@H](C)NS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631952966 372703682 /nfs/dbraw/zinc/70/36/82/372703682.db2.gz YVMNABNEAPVVAP-SECBINFHSA-N 2 1 249.380 -0.392 20 0 BBADMP C[NH2+]C[C@H](C)NS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631952967 372703048 /nfs/dbraw/zinc/70/30/48/372703048.db2.gz YVMNABNEAPVVAP-VIFPVBQESA-N 2 1 249.380 -0.392 20 0 BBADMP CCN(CC[NH3+])S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631954385 363042615 /nfs/dbraw/zinc/04/26/15/363042615.db2.gz KHZLMNZAYKPFPE-UHFFFAOYSA-N 2 1 249.380 -0.309 20 0 BBADMP CC[NH2+]CCCNC(=O)N1CC[NH+](C)CC1 ZINC000634104718 373966672 /nfs/dbraw/zinc/96/66/72/373966672.db2.gz XPKSJCSJDQHLCW-UHFFFAOYSA-N 2 1 228.340 -0.057 20 0 BBADMP CC(C)[C@H]1CN(C(=O)COCC[NH3+])CC[N@H+]1C ZINC000634300668 374127044 /nfs/dbraw/zinc/12/70/44/374127044.db2.gz HFBAEWLRXIVQLI-LLVKDONJSA-N 2 1 243.351 -0.240 20 0 BBADMP C(C[N@H+]1C[C@@H]2COC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000634688074 343247112 /nfs/dbraw/zinc/24/71/12/343247112.db2.gz HLJZAHSUVFQIDO-TXEJJXNPSA-N 2 1 225.336 -0.530 20 0 BBADMP [NH3+]CCOCC[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634688277 343246520 /nfs/dbraw/zinc/24/65/20/343246520.db2.gz NPSSISYRYBOZFH-AOOOYVTPSA-N 2 1 200.282 -0.460 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634688637 343249107 /nfs/dbraw/zinc/24/91/07/343249107.db2.gz ZGPUAGOAABXZEC-AXFHLTTASA-N 2 1 214.309 -0.465 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634688638 385206878 /nfs/dbraw/zinc/20/68/78/385206878.db2.gz ZGPUAGOAABXZEC-OUAUKWLOSA-N 2 1 214.309 -0.465 20 0 BBADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1C[C@@H](CO)C1)C1CC1 ZINC000634725240 343945946 /nfs/dbraw/zinc/94/59/46/343945946.db2.gz MFJZFDRXZOXKSQ-JFGNBEQYSA-N 2 1 228.336 -0.198 20 0 BBADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1C[C@@H](CO)C1)C1CC1 ZINC000634725241 343945962 /nfs/dbraw/zinc/94/59/62/343945962.db2.gz MFJZFDRXZOXKSQ-UMNHJUIQSA-N 2 1 228.336 -0.198 20 0 BBADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCC[C@@H]1O)C1CC1 ZINC000634728515 490296867 /nfs/dbraw/zinc/29/68/67/490296867.db2.gz DJZXTAWNUHSTAQ-SRVKXCTJSA-N 2 1 228.336 -0.056 20 0 BBADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCC[C@@H]1O)C1CC1 ZINC000634728515 490296863 /nfs/dbraw/zinc/29/68/63/490296863.db2.gz DJZXTAWNUHSTAQ-SRVKXCTJSA-N 2 1 228.336 -0.056 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779343 487908075 /nfs/dbraw/zinc/90/80/75/487908075.db2.gz MQUAEFWEQLQBPO-GRYCIOLGSA-N 2 1 228.336 -0.123 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779343 487908071 /nfs/dbraw/zinc/90/80/71/487908071.db2.gz MQUAEFWEQLQBPO-GRYCIOLGSA-N 2 1 228.336 -0.123 20 0 BBADMP CCN(C)C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779343 487908059 /nfs/dbraw/zinc/90/80/59/487908059.db2.gz MQUAEFWEQLQBPO-GRYCIOLGSA-N 2 1 228.336 -0.123 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779344 487907602 /nfs/dbraw/zinc/90/76/02/487907602.db2.gz MQUAEFWEQLQBPO-TUAOUCFPSA-N 2 1 228.336 -0.123 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779344 487907600 /nfs/dbraw/zinc/90/76/00/487907600.db2.gz MQUAEFWEQLQBPO-TUAOUCFPSA-N 2 1 228.336 -0.123 20 0 BBADMP CCN(C)C[C@H](O)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779344 487907592 /nfs/dbraw/zinc/90/75/92/487907592.db2.gz MQUAEFWEQLQBPO-TUAOUCFPSA-N 2 1 228.336 -0.123 20 0 BBADMP c1cc(NC2C[NH2+]C2)nc(N2CCOCC2)[nH+]1 ZINC000634809556 411700652 /nfs/dbraw/zinc/70/06/52/411700652.db2.gz VXQGMONJGYCKDY-UHFFFAOYSA-N 2 1 235.291 -0.303 20 0 BBADMP C(CNCC12CC(C1)C[NH2+]2)CN1CC[NH2+]CC1 ZINC000634994360 345181808 /nfs/dbraw/zinc/18/18/08/345181808.db2.gz ADRLXXLWMCZBQN-UHFFFAOYSA-N 2 1 238.379 -0.377 20 0 BBADMP O=C1C[C@@]2(CC[N@@H+](CC34CC(C3)C[NH2+]4)C2)CN1 ZINC000634995075 345183631 /nfs/dbraw/zinc/18/36/31/345183631.db2.gz UKOXHPAWEFKSDQ-YDGIUTOCSA-N 2 1 235.331 -0.050 20 0 BBADMP O=C1C[C@@]2(CC[N@H+](CC34CC(C3)C[NH2+]4)C2)CN1 ZINC000634995075 345183629 /nfs/dbraw/zinc/18/36/29/345183629.db2.gz UKOXHPAWEFKSDQ-YDGIUTOCSA-N 2 1 235.331 -0.050 20 0 BBADMP O=C1C[C@]2(CC[N@@H+](CC34CC(C3)C[NH2+]4)C2)CN1 ZINC000634995076 345183852 /nfs/dbraw/zinc/18/38/52/345183852.db2.gz UKOXHPAWEFKSDQ-YXMLORGKSA-N 2 1 235.331 -0.050 20 0 BBADMP O=C1C[C@]2(CC[N@H+](CC34CC(C3)C[NH2+]4)C2)CN1 ZINC000634995076 345183849 /nfs/dbraw/zinc/18/38/49/345183849.db2.gz UKOXHPAWEFKSDQ-YXMLORGKSA-N 2 1 235.331 -0.050 20 0 BBADMP [NH3+]CC(F)(F)CNCC12CC(C1)C[NH2+]2 ZINC000634995317 345184525 /nfs/dbraw/zinc/18/45/25/345184525.db2.gz ANLDYHWXFQDJNQ-UHFFFAOYSA-N 2 1 205.252 -0.078 20 0 BBADMP CN(C)C(=O)CC[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634995846 345186154 /nfs/dbraw/zinc/18/61/54/345186154.db2.gz QTWVVJAWCHUCAD-UHFFFAOYSA-N 2 1 211.309 -0.194 20 0 BBADMP [NH3+]CC1(CNCCN2CC[NH2+]CC2)CC1 ZINC000634996010 345185726 /nfs/dbraw/zinc/18/57/26/345185726.db2.gz WIHUBQYAHSLUQP-UHFFFAOYSA-N 2 1 212.341 -0.780 20 0 BBADMP O[C@@H]1C[C@H]2CN(CC34CC(C3)C[NH2+]4)CC[N@H+]2C1 ZINC000634996422 345188155 /nfs/dbraw/zinc/18/81/55/345188155.db2.gz JIIIUGVDTGUMGO-CMOBGSAGSA-N 2 1 237.347 -0.511 20 0 BBADMP CC(C)[C@H](C[NH3+])CNC[C@H]1C[NH2+]CCO1 ZINC000634996942 345186906 /nfs/dbraw/zinc/18/69/06/345186906.db2.gz ZHFPOKWGNXKTGJ-GHMZBOCLSA-N 2 1 215.341 -0.205 20 0 BBADMP CC(C)[C@H](C[NH3+])CNC[C@@H]1C[NH2+]CCO1 ZINC000634996943 345186577 /nfs/dbraw/zinc/18/65/77/345186577.db2.gz ZHFPOKWGNXKTGJ-MNOVXSKESA-N 2 1 215.341 -0.205 20 0 BBADMP CC(C)[C@@H](C[NH3+])CNC[C@@H]1C[NH2+]CCO1 ZINC000634996944 345186791 /nfs/dbraw/zinc/18/67/91/345186791.db2.gz ZHFPOKWGNXKTGJ-QWRGUYRKSA-N 2 1 215.341 -0.205 20 0 BBADMP CC(C)[C@@H](C[NH3+])CNC[C@H]1C[NH2+]CCO1 ZINC000634996945 345186447 /nfs/dbraw/zinc/18/64/47/345186447.db2.gz ZHFPOKWGNXKTGJ-WDEREUQCSA-N 2 1 215.341 -0.205 20 0 BBADMP [NH3+]CCCOCC[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634997065 345193979 /nfs/dbraw/zinc/19/39/79/345193979.db2.gz BVWOBYCLHCBHEX-UHFFFAOYSA-N 3 1 213.325 -0.307 20 0 BBADMP CC(C)[C@H](C[NH3+])CNC[C@@H]1COCC[NH2+]1 ZINC000634997290 345194862 /nfs/dbraw/zinc/19/48/62/345194862.db2.gz IFAVKPWLHHHEGS-GHMZBOCLSA-N 2 1 215.341 -0.205 20 0 BBADMP CC(C)[C@H](C[NH3+])CNC[C@H]1COCC[NH2+]1 ZINC000634997291 345194753 /nfs/dbraw/zinc/19/47/53/345194753.db2.gz IFAVKPWLHHHEGS-MNOVXSKESA-N 2 1 215.341 -0.205 20 0 BBADMP CC(C)[C@@H](C[NH3+])CNC[C@H]1COCC[NH2+]1 ZINC000634997292 345194542 /nfs/dbraw/zinc/19/45/42/345194542.db2.gz IFAVKPWLHHHEGS-QWRGUYRKSA-N 2 1 215.341 -0.205 20 0 BBADMP CC(C)[C@@H](C[NH3+])CNC[C@@H]1COCC[NH2+]1 ZINC000634997293 345194790 /nfs/dbraw/zinc/19/47/90/345194790.db2.gz IFAVKPWLHHHEGS-WDEREUQCSA-N 2 1 215.341 -0.205 20 0 BBADMP C[C@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1C[NH3+] ZINC000634998369 345198065 /nfs/dbraw/zinc/19/80/65/345198065.db2.gz DWLQUWSPAWAZHO-DTWKUNHWSA-N 2 1 209.297 -0.158 20 0 BBADMP C[C@H]1C[N@H+](Cc2cnnn2C)C[C@H]1C[NH3+] ZINC000634998369 345198062 /nfs/dbraw/zinc/19/80/62/345198062.db2.gz DWLQUWSPAWAZHO-DTWKUNHWSA-N 2 1 209.297 -0.158 20 0 BBADMP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1C[NH3+] ZINC000634998371 345198498 /nfs/dbraw/zinc/19/84/98/345198498.db2.gz DWLQUWSPAWAZHO-RKDXNWHRSA-N 2 1 209.297 -0.158 20 0 BBADMP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1C[NH3+] ZINC000634998371 345198495 /nfs/dbraw/zinc/19/84/95/345198495.db2.gz DWLQUWSPAWAZHO-RKDXNWHRSA-N 2 1 209.297 -0.158 20 0 BBADMP CC(C)([NH3+])C[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000634998586 345198178 /nfs/dbraw/zinc/19/81/78/345198178.db2.gz HZQGVUCLHPVBAW-TXEJJXNPSA-N 2 1 239.319 -0.292 20 0 BBADMP C[C@]12C[N@@H+](CCC[NH3+])C[C@@]1(C)C(=O)NC2=O ZINC000634999399 345200079 /nfs/dbraw/zinc/20/00/79/345200079.db2.gz UFJJWPBRZREXRO-PHIMTYICSA-N 2 1 225.292 -0.680 20 0 BBADMP CNS(=O)(=O)CCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000635005256 345209245 /nfs/dbraw/zinc/20/92/45/345209245.db2.gz ILJLLXQQMCTIIK-NXEZZACHSA-N 2 1 249.380 -0.344 20 0 BBADMP CNS(=O)(=O)CCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000635005257 345209107 /nfs/dbraw/zinc/20/91/07/345209107.db2.gz ILJLLXQQMCTIIK-UWVGGRQHSA-N 2 1 249.380 -0.344 20 0 BBADMP CNS(=O)(=O)CCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000635005258 345209058 /nfs/dbraw/zinc/20/90/58/345209058.db2.gz ILJLLXQQMCTIIK-VHSXEESVSA-N 2 1 249.380 -0.344 20 0 BBADMP CNS(=O)(=O)CCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000635005259 345209253 /nfs/dbraw/zinc/20/92/53/345209253.db2.gz ILJLLXQQMCTIIK-ZJUUUORDSA-N 2 1 249.380 -0.344 20 0 BBADMP CNS(=O)(=O)CCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000635009711 345212165 /nfs/dbraw/zinc/21/21/65/345212165.db2.gz ZBVVAXUSVANAMN-NXEZZACHSA-N 2 1 249.380 -0.487 20 0 BBADMP CNS(=O)(=O)CCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000635009712 345212008 /nfs/dbraw/zinc/21/20/08/345212008.db2.gz ZBVVAXUSVANAMN-UWVGGRQHSA-N 2 1 249.380 -0.487 20 0 BBADMP CNS(=O)(=O)CCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000635009713 345212278 /nfs/dbraw/zinc/21/22/78/345212278.db2.gz ZBVVAXUSVANAMN-VHSXEESVSA-N 2 1 249.380 -0.487 20 0 BBADMP CNS(=O)(=O)CCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000635009714 345212297 /nfs/dbraw/zinc/21/22/97/345212297.db2.gz ZBVVAXUSVANAMN-ZJUUUORDSA-N 2 1 249.380 -0.487 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@@H](C)[NH+](C)C ZINC000635478731 345388828 /nfs/dbraw/zinc/38/88/28/345388828.db2.gz HLGPXCVOUFABCB-SNVBAGLBSA-N 2 1 231.340 -0.369 20 0 BBADMP C[C@H](C(=O)NCCN1CCOC[C@H]1C)N(C)C ZINC000635499999 345399712 /nfs/dbraw/zinc/39/97/12/345399712.db2.gz CABRGGVRHYFPDF-GHMZBOCLSA-N 2 1 243.351 -0.227 20 0 BBADMP C[C@H](C(=O)NCCN1CCOC[C@@H]1C)N(C)C ZINC000635500000 345399929 /nfs/dbraw/zinc/39/99/29/345399929.db2.gz CABRGGVRHYFPDF-WDEREUQCSA-N 2 1 243.351 -0.227 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+](C)C)C1 ZINC000635538604 345508053 /nfs/dbraw/zinc/50/80/53/345508053.db2.gz KJIIAPCTTUSYRE-GHMZBOCLSA-N 2 1 243.351 -0.227 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+](C)C)C1 ZINC000635538608 345508324 /nfs/dbraw/zinc/50/83/24/345508324.db2.gz KJIIAPCTTUSYRE-MNOVXSKESA-N 2 1 243.351 -0.227 20 0 BBADMP C[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+](C)C ZINC000635547014 345581449 /nfs/dbraw/zinc/58/14/49/345581449.db2.gz DRLMTDFODUAVNH-GHMZBOCLSA-N 2 1 242.367 -0.702 20 0 BBADMP C[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+](C)C ZINC000635547021 345581280 /nfs/dbraw/zinc/58/12/80/345581280.db2.gz DRLMTDFODUAVNH-MNOVXSKESA-N 2 1 242.367 -0.702 20 0 BBADMP C[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](C)C1)[NH+](C)C ZINC000635800569 346067876 /nfs/dbraw/zinc/06/78/76/346067876.db2.gz BANPIBLVKFLPMB-KOLCDFICSA-N 2 1 229.324 -0.881 20 0 BBADMP C[C@H](C(=O)NC[C@]1(O)CC[N@@H+](C)C1)[NH+](C)C ZINC000635800570 346067488 /nfs/dbraw/zinc/06/74/88/346067488.db2.gz BANPIBLVKFLPMB-MWLCHTKSSA-N 2 1 229.324 -0.881 20 0 BBADMP CC[N@@H+](CCO)CCNC(=O)[C@@H](C)[NH+](C)C ZINC000635809283 346073178 /nfs/dbraw/zinc/07/31/78/346073178.db2.gz DGKJHYWVDMQQJR-SNVBAGLBSA-N 2 1 231.340 -0.633 20 0 BBADMP C[C@H](C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)[NH+](C)C ZINC000635863949 346097328 /nfs/dbraw/zinc/09/73/28/346097328.db2.gz AMWQGKOITQHBRY-MXWKQRLJSA-N 2 1 225.336 -0.044 20 0 BBADMP C[NH+](C)C[C@H](CO)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635929854 346111512 /nfs/dbraw/zinc/11/15/12/346111512.db2.gz YGVCTUZGUHDQDC-GHMZBOCLSA-N 2 1 243.351 -0.633 20 0 BBADMP C[NH+](C)C[C@@H](CO)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635929855 346111659 /nfs/dbraw/zinc/11/16/59/346111659.db2.gz YGVCTUZGUHDQDC-MNOVXSKESA-N 2 1 243.351 -0.633 20 0 BBADMP C[NH+](C)C[C@@H](CO)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635929856 346111568 /nfs/dbraw/zinc/11/15/68/346111568.db2.gz YGVCTUZGUHDQDC-QWRGUYRKSA-N 2 1 243.351 -0.633 20 0 BBADMP C[NH+](C)C[C@H](CO)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635929857 346111642 /nfs/dbraw/zinc/11/16/42/346111642.db2.gz YGVCTUZGUHDQDC-WDEREUQCSA-N 2 1 243.351 -0.633 20 0 BBADMP C[C@H](C(=O)N[C@H]1Cc2cncn2C1)N(C)C ZINC000635985846 346138753 /nfs/dbraw/zinc/13/87/53/346138753.db2.gz KRCGDOCSMNWKAR-BDAKNGLRSA-N 2 1 222.292 -0.126 20 0 BBADMP C[C@H](C(=O)N[C@@H]1Cc2cncn2C1)N(C)C ZINC000635985853 346138770 /nfs/dbraw/zinc/13/87/70/346138770.db2.gz KRCGDOCSMNWKAR-RKDXNWHRSA-N 2 1 222.292 -0.126 20 0 BBADMP C[C@H](C(=O)NCC[N@H+]1CC[C@@H](O)C1)[NH+](C)C ZINC000636286389 346378939 /nfs/dbraw/zinc/37/89/39/346378939.db2.gz BMMWUBOIVLEFDW-NXEZZACHSA-N 2 1 229.324 -0.881 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)NCC[NH2+]C1CC1 ZINC000637338728 350464875 /nfs/dbraw/zinc/46/48/75/350464875.db2.gz BNSZWQQEZZZVCT-UHFFFAOYSA-N 2 1 236.266 -0.368 20 0 BBADMP C[NH+]1CCN(C(=O)NCC[NH2+]C2CC2)CC1 ZINC000637339531 350464830 /nfs/dbraw/zinc/46/48/30/350464830.db2.gz JASCRWYTQKMGSE-UHFFFAOYSA-N 2 1 226.324 -0.305 20 0 BBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000637802360 351634709 /nfs/dbraw/zinc/63/47/09/351634709.db2.gz MTEAECOUBWYVQJ-SECBINFHSA-N 2 1 208.265 -0.249 20 0 BBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000637802988 351638583 /nfs/dbraw/zinc/63/85/83/351638583.db2.gz VQVJVVFGBYRJBD-SECBINFHSA-N 2 1 208.265 -0.249 20 0 BBADMP C[NH2+]CCCNC(=O)Cn1c[nH+]cc1C ZINC000637804886 351637305 /nfs/dbraw/zinc/63/73/05/351637305.db2.gz CKYBNCQMGVPGIX-UHFFFAOYSA-N 2 1 210.281 -0.083 20 0 BBADMP C[NH2+]CCCNC(=O)Cn1cc[nH+]c1C ZINC000637805221 351644421 /nfs/dbraw/zinc/64/44/21/351644421.db2.gz GVWGEFNYRSZQKG-UHFFFAOYSA-N 2 1 210.281 -0.083 20 0 BBADMP CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000637809070 351645486 /nfs/dbraw/zinc/64/54/86/351645486.db2.gz KRBWIOKQFZHFPJ-GHMZBOCLSA-N 2 1 243.351 -0.179 20 0 BBADMP CC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000637809070 351645482 /nfs/dbraw/zinc/64/54/82/351645482.db2.gz KRBWIOKQFZHFPJ-GHMZBOCLSA-N 2 1 243.351 -0.179 20 0 BBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[NH2+]C1 ZINC000637812324 351648533 /nfs/dbraw/zinc/64/85/33/351648533.db2.gz XKBZRHZDOSAPRN-SECBINFHSA-N 2 1 208.265 -0.330 20 0 BBADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[NH2+]C1 ZINC000637812329 351648586 /nfs/dbraw/zinc/64/85/86/351648586.db2.gz XKBZRHZDOSAPRN-VIFPVBQESA-N 2 1 208.265 -0.330 20 0 BBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[NH2+]C1 ZINC000637812822 351649200 /nfs/dbraw/zinc/64/92/00/351649200.db2.gz ZBVCNEVMKJMAOM-SECBINFHSA-N 2 1 208.265 -0.330 20 0 BBADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[NH2+]C1 ZINC000637812823 351649659 /nfs/dbraw/zinc/64/96/59/351649659.db2.gz ZBVCNEVMKJMAOM-VIFPVBQESA-N 2 1 208.265 -0.330 20 0 BBADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH3+])C1 ZINC000637821035 351661609 /nfs/dbraw/zinc/66/16/09/351661609.db2.gz MTEAECOUBWYVQJ-VIFPVBQESA-N 2 1 208.265 -0.249 20 0 BBADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH3+])C1 ZINC000637821830 351666741 /nfs/dbraw/zinc/66/67/41/351666741.db2.gz VQVJVVFGBYRJBD-VIFPVBQESA-N 2 1 208.265 -0.249 20 0 BBADMP CC[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC000637826096 351672181 /nfs/dbraw/zinc/67/21/81/351672181.db2.gz HSTIVVXLRFZDQM-UHFFFAOYSA-N 2 1 210.281 -0.083 20 0 BBADMP CC[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC000637826229 351672370 /nfs/dbraw/zinc/67/23/70/351672370.db2.gz MVDSQWLEEMJXME-UHFFFAOYSA-N 2 1 210.281 -0.083 20 0 BBADMP CC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000637826523 351673558 /nfs/dbraw/zinc/67/35/58/351673558.db2.gz DSJVESNRFXEBOV-NXEZZACHSA-N 2 1 229.324 -0.569 20 0 BBADMP CC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000637826523 351673554 /nfs/dbraw/zinc/67/35/54/351673554.db2.gz DSJVESNRFXEBOV-NXEZZACHSA-N 2 1 229.324 -0.569 20 0 BBADMP CC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000637828476 351677001 /nfs/dbraw/zinc/67/70/01/351677001.db2.gz ZWTQRGSSNFOPKG-GHMZBOCLSA-N 2 1 241.335 -0.425 20 0 BBADMP CC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000637828477 351676835 /nfs/dbraw/zinc/67/68/35/351676835.db2.gz ZWTQRGSSNFOPKG-MNOVXSKESA-N 2 1 241.335 -0.425 20 0 BBADMP CC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000637828478 351676942 /nfs/dbraw/zinc/67/69/42/351676942.db2.gz ZWTQRGSSNFOPKG-QWRGUYRKSA-N 2 1 241.335 -0.425 20 0 BBADMP CC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000637828479 351676961 /nfs/dbraw/zinc/67/69/61/351676961.db2.gz ZWTQRGSSNFOPKG-WDEREUQCSA-N 2 1 241.335 -0.425 20 0 BBADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H](C)C[NH3+] ZINC000637842362 351699116 /nfs/dbraw/zinc/69/91/16/351699116.db2.gz QRHBEJCFMKSEQG-MRVPVSSYSA-N 2 1 210.281 -0.003 20 0 BBADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H](C)C[NH3+] ZINC000637842366 351699075 /nfs/dbraw/zinc/69/90/75/351699075.db2.gz QRHBEJCFMKSEQG-QMMMGPOBSA-N 2 1 210.281 -0.003 20 0 BBADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H](C)C[NH3+] ZINC000637843099 351701497 /nfs/dbraw/zinc/70/14/97/351701497.db2.gz VGQPQNPSEPQBFP-MRVPVSSYSA-N 2 1 210.281 -0.003 20 0 BBADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H](C)C[NH3+] ZINC000637843100 351701834 /nfs/dbraw/zinc/70/18/34/351701834.db2.gz VGQPQNPSEPQBFP-QMMMGPOBSA-N 2 1 210.281 -0.003 20 0 BBADMP Cc1c[nH+]cn1CC(=O)N(C)CCC[NH3+] ZINC000637853978 351716513 /nfs/dbraw/zinc/71/65/13/351716513.db2.gz UPHZDQPAXJIBCA-UHFFFAOYSA-N 2 1 210.281 -0.001 20 0 BBADMP CC[NH2+][C@H](C)C(=O)NCCC[NH+]1CCOCC1 ZINC000638046314 351925689 /nfs/dbraw/zinc/92/56/89/351925689.db2.gz DBKUECWLNBJSFH-LLVKDONJSA-N 2 1 243.351 -0.177 20 0 BBADMP CC[NH2+][C@@H](C)C(=O)NCCC[NH+]1CCOCC1 ZINC000638046623 351925829 /nfs/dbraw/zinc/92/58/29/351925829.db2.gz DBKUECWLNBJSFH-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638046904 351925820 /nfs/dbraw/zinc/92/58/20/351925820.db2.gz CIBHGATWGWFFBS-GARJFASQSA-N 2 1 241.335 -0.297 20 0 BBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638046919 351925647 /nfs/dbraw/zinc/92/56/47/351925647.db2.gz CIBHGATWGWFFBS-OUAUKWLOSA-N 2 1 241.335 -0.297 20 0 BBADMP CC[NH+]1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638048195 398067055 /nfs/dbraw/zinc/06/70/55/398067055.db2.gz ZZBRQQYVHWOWTP-VHSXEESVSA-N 2 1 227.308 -0.733 20 0 BBADMP CC(C)[NH+]1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638059407 351933530 /nfs/dbraw/zinc/93/35/30/351933530.db2.gz LQWQXPGDSFROQC-WDEREUQCSA-N 2 1 241.335 -0.345 20 0 BBADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000638061845 351934488 /nfs/dbraw/zinc/93/44/88/351934488.db2.gz IQSKRMNPHXPLPV-MNOVXSKESA-N 2 1 239.319 -0.591 20 0 BBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638071964 351943264 /nfs/dbraw/zinc/94/32/64/351943264.db2.gz IZYVNCFDLZPPPI-CMPLNLGQSA-N 2 1 241.335 -0.567 20 0 BBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638071965 351943256 /nfs/dbraw/zinc/94/32/56/351943256.db2.gz IZYVNCFDLZPPPI-JQWIXIFHSA-N 2 1 241.335 -0.567 20 0 BBADMP C[N@H+]1CC[C@H](CNC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638071966 351943811 /nfs/dbraw/zinc/94/38/11/351943811.db2.gz IZYVNCFDLZPPPI-PWSUYJOCSA-N 2 1 241.335 -0.567 20 0 BBADMP C[N@H+]1CC[C@H](CNC(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638071967 351943841 /nfs/dbraw/zinc/94/38/41/351943841.db2.gz IZYVNCFDLZPPPI-ZYHUDNBSSA-N 2 1 241.335 -0.567 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638075301 351947292 /nfs/dbraw/zinc/94/72/92/351947292.db2.gz DKHMNNIZFLWQBW-KXUCPTDWSA-N 2 1 227.308 -0.687 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638075303 351947013 /nfs/dbraw/zinc/94/70/13/351947013.db2.gz DKHMNNIZFLWQBW-LPEHRKFASA-N 2 1 227.308 -0.687 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)c1cnc(C[NH3+])nc1 ZINC000638077739 351950872 /nfs/dbraw/zinc/95/08/72/351950872.db2.gz VWWFVJIPBWTKGO-JTQLQIEISA-N 2 1 249.318 -0.241 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)c1cnc(C[NH3+])nc1 ZINC000638077741 351951069 /nfs/dbraw/zinc/95/10/69/351951069.db2.gz VWWFVJIPBWTKGO-SNVBAGLBSA-N 2 1 249.318 -0.241 20 0 BBADMP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638078746 351951721 /nfs/dbraw/zinc/95/17/21/351951721.db2.gz NEASRMMRDMIVIK-KXUCPTDWSA-N 2 1 227.308 -0.687 20 0 BBADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638078747 351951805 /nfs/dbraw/zinc/95/18/05/351951805.db2.gz NEASRMMRDMIVIK-LPEHRKFASA-N 2 1 227.308 -0.687 20 0 BBADMP C[N@H+]1CCC[C@H](NC(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638078817 351951689 /nfs/dbraw/zinc/95/16/89/351951689.db2.gz NXMOIRASTLBMHW-CMPLNLGQSA-N 2 1 241.335 -0.425 20 0 BBADMP C[N@H+]1CCC[C@H](NC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638078819 351951946 /nfs/dbraw/zinc/95/19/46/351951946.db2.gz NXMOIRASTLBMHW-JQWIXIFHSA-N 2 1 241.335 -0.425 20 0 BBADMP C[N@H+]1CCC[C@@H](NC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638078820 351951732 /nfs/dbraw/zinc/95/17/32/351951732.db2.gz NXMOIRASTLBMHW-PWSUYJOCSA-N 2 1 241.335 -0.425 20 0 BBADMP C[N@H+]1CCC[C@@H](NC(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638078821 351952095 /nfs/dbraw/zinc/95/20/95/351952095.db2.gz NXMOIRASTLBMHW-ZYHUDNBSSA-N 2 1 241.335 -0.425 20 0 BBADMP C[N@@H+](CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+])C1CC1 ZINC000638081656 351954381 /nfs/dbraw/zinc/95/43/81/351954381.db2.gz BILLOALGKLWNCA-VHSXEESVSA-N 2 1 227.308 -0.687 20 0 BBADMP C[N@@H+](CCNC(=O)[C@@]1(C)C[NH2+]CCO1)C1CC1 ZINC000638082201 351955134 /nfs/dbraw/zinc/95/51/34/351955134.db2.gz GCRXIHXYOMQOKZ-GFCCVEGCSA-N 2 1 241.335 -0.425 20 0 BBADMP C[N@@H+](CCNC(=O)[C@]1(C)C[NH2+]CCO1)C1CC1 ZINC000638082203 351955538 /nfs/dbraw/zinc/95/55/38/351955538.db2.gz GCRXIHXYOMQOKZ-LBPRGKRZSA-N 2 1 241.335 -0.425 20 0 BBADMP C[N@@H+](CCNC(=O)c1cnc(C[NH3+])nc1)C1CC1 ZINC000638083441 351958159 /nfs/dbraw/zinc/95/81/59/351958159.db2.gz LUSSDBZQNBNFHQ-UHFFFAOYSA-N 2 1 249.318 -0.241 20 0 BBADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638086056 351962412 /nfs/dbraw/zinc/96/24/12/351962412.db2.gz OPSMBHDLRYRUJW-GARJFASQSA-N 2 1 241.335 -0.439 20 0 BBADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638086058 351962079 /nfs/dbraw/zinc/96/20/79/351962079.db2.gz OPSMBHDLRYRUJW-OUAUKWLOSA-N 2 1 241.335 -0.439 20 0 BBADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000638086299 351964208 /nfs/dbraw/zinc/96/42/08/351964208.db2.gz XUUPXCGGWUPWNS-GDPRMGEGSA-N 2 1 239.319 -0.545 20 0 BBADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000638086301 351964037 /nfs/dbraw/zinc/96/40/37/351964037.db2.gz XUUPXCGGWUPWNS-IEBDPFPHSA-N 2 1 239.319 -0.545 20 0 BBADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638090787 351968503 /nfs/dbraw/zinc/96/85/03/351968503.db2.gz YTJDWFOLCYPKCP-WDEREUQCSA-N 2 1 243.351 -0.049 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638091368 351968357 /nfs/dbraw/zinc/96/83/57/351968357.db2.gz MGQLGXPQXWWZHU-LLVKDONJSA-N 2 1 241.335 -0.272 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638091370 351968298 /nfs/dbraw/zinc/96/82/98/351968298.db2.gz MGQLGXPQXWWZHU-NSHDSACASA-N 2 1 241.335 -0.272 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)CCC1C[NH2+]C1 ZINC000638091707 351970257 /nfs/dbraw/zinc/97/02/57/351970257.db2.gz QDJXCJJQGFGTEM-UHFFFAOYSA-N 2 1 243.351 -0.320 20 0 BBADMP CC[NH2+][C@@H](C)C(=O)NCC[N@@H+](C)CCOC ZINC000638092561 351969124 /nfs/dbraw/zinc/96/91/24/351969124.db2.gz YHAAOCIUTVIUHI-JTQLQIEISA-N 2 1 231.340 -0.321 20 0 BBADMP CC[NH2+][C@H](C)C(=O)NCC[N@@H+](C)CCOC ZINC000638092586 351968945 /nfs/dbraw/zinc/96/89/45/351968945.db2.gz YHAAOCIUTVIUHI-SNVBAGLBSA-N 2 1 231.340 -0.321 20 0 BBADMP CC[N@@H+](CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+])C1CC1 ZINC000638095671 351975423 /nfs/dbraw/zinc/97/54/23/351975423.db2.gz BFZHOQFAKLCNMY-WDEREUQCSA-N 2 1 241.335 -0.297 20 0 BBADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638095673 351975382 /nfs/dbraw/zinc/97/53/82/351975382.db2.gz BIYKETXLXVJMBP-VHSXEESVSA-N 2 1 229.324 -0.441 20 0 BBADMP CC(C)[N@@H+](C)CCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638096915 351976671 /nfs/dbraw/zinc/97/66/71/351976671.db2.gz NLJAEVRADMYTNO-GFCCVEGCSA-N 2 1 243.351 -0.179 20 0 BBADMP CC(C)[N@@H+](C)CCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638096916 351976723 /nfs/dbraw/zinc/97/67/23/351976723.db2.gz NLJAEVRADMYTNO-LBPRGKRZSA-N 2 1 243.351 -0.179 20 0 BBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638097953 351979919 /nfs/dbraw/zinc/97/99/19/351979919.db2.gz YBTSAFFMCAUXSA-GARJFASQSA-N 2 1 243.351 -0.051 20 0 BBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638097954 351979558 /nfs/dbraw/zinc/97/95/58/351979558.db2.gz YBTSAFFMCAUXSA-OUAUKWLOSA-N 2 1 243.351 -0.051 20 0 BBADMP C[C@H](CNC(=O)[C@@H]1OCC[C@@H]1[NH3+])[N@@H+](C)C1CC1 ZINC000638100567 351980942 /nfs/dbraw/zinc/98/09/42/351980942.db2.gz KCTQHQGIBGGLHD-DVVUODLYSA-N 2 1 241.335 -0.299 20 0 BBADMP C[C@@H](CNC(=O)[C@@H]1OCC[C@@H]1[NH3+])[N@@H+](C)C1CC1 ZINC000638100568 351980711 /nfs/dbraw/zinc/98/07/11/351980711.db2.gz KCTQHQGIBGGLHD-INTQDDNPSA-N 2 1 241.335 -0.299 20 0 BBADMP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000638102364 351981696 /nfs/dbraw/zinc/98/16/96/351981696.db2.gz UEWZZZRRVOVMHD-GHMZBOCLSA-N 2 1 243.351 -0.179 20 0 BBADMP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000638102366 351981598 /nfs/dbraw/zinc/98/15/98/351981598.db2.gz UEWZZZRRVOVMHD-MNOVXSKESA-N 2 1 243.351 -0.179 20 0 BBADMP CC[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000638102368 351981448 /nfs/dbraw/zinc/98/14/48/351981448.db2.gz UEWZZZRRVOVMHD-QWRGUYRKSA-N 2 1 243.351 -0.179 20 0 BBADMP CC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000638102369 351981770 /nfs/dbraw/zinc/98/17/70/351981770.db2.gz UEWZZZRRVOVMHD-WDEREUQCSA-N 2 1 243.351 -0.179 20 0 BBADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638127378 351998951 /nfs/dbraw/zinc/99/89/51/351998951.db2.gz VNCURYLCLOKYDP-GARJFASQSA-N 2 1 241.335 -0.439 20 0 BBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638127379 351998704 /nfs/dbraw/zinc/99/87/04/351998704.db2.gz VNCURYLCLOKYDP-OUAUKWLOSA-N 2 1 241.335 -0.439 20 0 BBADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638128483 351999962 /nfs/dbraw/zinc/99/99/62/351999962.db2.gz UROSBJOMNYFFFE-WDEREUQCSA-N 2 1 243.351 -0.049 20 0 BBADMP CC[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000638140062 352003666 /nfs/dbraw/zinc/00/36/66/352003666.db2.gz TTWFMVQIZXQVPW-GHMZBOCLSA-N 2 1 242.367 -0.654 20 0 BBADMP CC[NH2+][C@H](C)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000638140066 352003681 /nfs/dbraw/zinc/00/36/81/352003681.db2.gz TTWFMVQIZXQVPW-MNOVXSKESA-N 2 1 242.367 -0.654 20 0 BBADMP CC[NH2+][C@@H](C)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000638140067 352004013 /nfs/dbraw/zinc/00/40/13/352004013.db2.gz TTWFMVQIZXQVPW-QWRGUYRKSA-N 2 1 242.367 -0.654 20 0 BBADMP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000638140068 352003478 /nfs/dbraw/zinc/00/34/78/352003478.db2.gz TTWFMVQIZXQVPW-WDEREUQCSA-N 2 1 242.367 -0.654 20 0 BBADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)C[NH3+] ZINC000638140761 352004555 /nfs/dbraw/zinc/00/45/55/352004555.db2.gz CUHNFHXBVDWPDF-MRVPVSSYSA-N 2 1 210.281 -0.097 20 0 BBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)C[NH3+] ZINC000638140764 352004316 /nfs/dbraw/zinc/00/43/16/352004316.db2.gz CUHNFHXBVDWPDF-QMMMGPOBSA-N 2 1 210.281 -0.097 20 0 BBADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)C[NH3+] ZINC000638142616 352006134 /nfs/dbraw/zinc/00/61/34/352006134.db2.gz SOUILPWPOGWYIP-MRVPVSSYSA-N 2 1 210.281 -0.097 20 0 BBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)C[NH3+] ZINC000638142617 352006121 /nfs/dbraw/zinc/00/61/21/352006121.db2.gz SOUILPWPOGWYIP-QMMMGPOBSA-N 2 1 210.281 -0.097 20 0 BBADMP CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000638146391 352010460 /nfs/dbraw/zinc/01/04/60/352010460.db2.gz OEGMJICCDJYXGA-GHMZBOCLSA-N 2 1 243.351 -0.179 20 0 BBADMP CCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000638146391 352010455 /nfs/dbraw/zinc/01/04/55/352010455.db2.gz OEGMJICCDJYXGA-GHMZBOCLSA-N 2 1 243.351 -0.179 20 0 BBADMP C[NH+]1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638148918 352010210 /nfs/dbraw/zinc/01/02/10/352010210.db2.gz BJDPQNMZBUQREU-GFCCVEGCSA-N 2 1 241.335 -0.484 20 0 BBADMP C[NH+]1CCN(C(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638148924 352010757 /nfs/dbraw/zinc/01/07/57/352010757.db2.gz BJDPQNMZBUQREU-LBPRGKRZSA-N 2 1 241.335 -0.484 20 0 BBADMP C[NH+]1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638149457 352013051 /nfs/dbraw/zinc/01/30/51/352013051.db2.gz KYGCFRZDFXQQOW-JTQLQIEISA-N 2 1 209.293 -0.192 20 0 BBADMP C[NH+]1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638149458 352012893 /nfs/dbraw/zinc/01/28/93/352012893.db2.gz KYGCFRZDFXQQOW-SNVBAGLBSA-N 2 1 209.293 -0.192 20 0 BBADMP COCC[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000638152595 352016680 /nfs/dbraw/zinc/01/66/80/352016680.db2.gz MPZATBGZACSVFU-LLVKDONJSA-N 2 1 243.351 -0.320 20 0 BBADMP COCC[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000638152596 352016855 /nfs/dbraw/zinc/01/68/55/352016855.db2.gz MPZATBGZACSVFU-NSHDSACASA-N 2 1 243.351 -0.320 20 0 BBADMP COCC[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC000638152935 352017296 /nfs/dbraw/zinc/01/72/96/352017296.db2.gz HWSUOBOLTBBWPY-UHFFFAOYSA-N 2 1 240.307 -0.456 20 0 BBADMP COCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000638155047 352016285 /nfs/dbraw/zinc/01/62/85/352016285.db2.gz YGTOOYDKCIHXHE-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP COCC[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC000638155871 352019104 /nfs/dbraw/zinc/01/91/04/352019104.db2.gz WJAPSPXSVCESDI-UHFFFAOYSA-N 2 1 240.307 -0.456 20 0 BBADMP C[N@H+]1CCCN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638168092 352036030 /nfs/dbraw/zinc/03/60/30/352036030.db2.gz CCMOEBRRBGVHIK-GFCCVEGCSA-N 2 1 241.335 -0.471 20 0 BBADMP C[N@H+]1CCCN(C(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638168093 352036162 /nfs/dbraw/zinc/03/61/62/352036162.db2.gz CCMOEBRRBGVHIK-LBPRGKRZSA-N 2 1 241.335 -0.471 20 0 BBADMP C[N@H+]1CCCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638170336 352034480 /nfs/dbraw/zinc/03/44/80/352034480.db2.gz NQUJIZIWCWCTKI-VHSXEESVSA-N 2 1 227.308 -0.733 20 0 BBADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000638170459 352034785 /nfs/dbraw/zinc/03/47/85/352034785.db2.gz GEIODYLXGOOYOY-JTQLQIEISA-N 2 1 238.291 -0.622 20 0 BBADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000638170466 352034566 /nfs/dbraw/zinc/03/45/66/352034566.db2.gz GEIODYLXGOOYOY-SNVBAGLBSA-N 2 1 238.291 -0.622 20 0 BBADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000638172536 352039958 /nfs/dbraw/zinc/03/99/58/352039958.db2.gz PNBIMTZGTJESKX-JTQLQIEISA-N 2 1 238.291 -0.622 20 0 BBADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000638172538 352039515 /nfs/dbraw/zinc/03/95/15/352039515.db2.gz PNBIMTZGTJESKX-SNVBAGLBSA-N 2 1 238.291 -0.622 20 0 BBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000638172791 352040799 /nfs/dbraw/zinc/04/07/99/352040799.db2.gz QTBYYIFSYABOQW-MNOVXSKESA-N 2 1 241.335 -0.343 20 0 BBADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000638172792 352040378 /nfs/dbraw/zinc/04/03/78/352040378.db2.gz QTBYYIFSYABOQW-QWRGUYRKSA-N 2 1 241.335 -0.343 20 0 BBADMP C[N@H+]1CC[C@H](CC(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000638173343 352036778 /nfs/dbraw/zinc/03/67/78/352036778.db2.gz WLIJOPFWMSLAQW-GHMZBOCLSA-N 2 1 241.335 -0.486 20 0 BBADMP C[N@H+]1CC[C@H](CC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000638173344 352037150 /nfs/dbraw/zinc/03/71/50/352037150.db2.gz WLIJOPFWMSLAQW-MNOVXSKESA-N 2 1 241.335 -0.486 20 0 BBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000638173345 352036800 /nfs/dbraw/zinc/03/68/00/352036800.db2.gz WLIJOPFWMSLAQW-QWRGUYRKSA-N 2 1 241.335 -0.486 20 0 BBADMP C[N@H+]1CC[C@@H](CC(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000638173346 352037232 /nfs/dbraw/zinc/03/72/32/352037232.db2.gz WLIJOPFWMSLAQW-WDEREUQCSA-N 2 1 241.335 -0.486 20 0 BBADMP C[C@H](C(=O)NCC(F)(F)C[NH3+])[NH+](C)C ZINC000638173839 352037934 /nfs/dbraw/zinc/03/79/34/352037934.db2.gz DMXBJUKIVCBQGA-ZCFIWIBFSA-N 2 1 209.240 -0.353 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)CCC1C[NH2+]C1 ZINC000638173888 352037667 /nfs/dbraw/zinc/03/76/67/352037667.db2.gz GASIJSGQLYUETE-UHFFFAOYSA-N 2 1 221.251 -0.304 20 0 BBADMP CC[NH2+][C@@H](C)C(=O)NCC(F)(F)C[NH3+] ZINC000638174464 352044138 /nfs/dbraw/zinc/04/41/38/352044138.db2.gz OJRYIGHPKLHDRH-LURJTMIESA-N 2 1 209.240 -0.305 20 0 BBADMP CC[NH2+][C@H](C)C(=O)NCC(F)(F)C[NH3+] ZINC000638174466 352043767 /nfs/dbraw/zinc/04/37/67/352043767.db2.gz OJRYIGHPKLHDRH-ZCFIWIBFSA-N 2 1 209.240 -0.305 20 0 BBADMP C[C@]1(C(=O)NCC(F)(F)C[NH3+])C[NH2+]CCO1 ZINC000638174720 352043782 /nfs/dbraw/zinc/04/37/82/352043782.db2.gz PQYSSBVVKBTIEZ-MRVPVSSYSA-N 2 1 237.250 -0.925 20 0 BBADMP C[C@@]1(C(=O)NCC(F)(F)C[NH3+])C[NH2+]CCO1 ZINC000638174726 352043969 /nfs/dbraw/zinc/04/39/69/352043969.db2.gz PQYSSBVVKBTIEZ-QMMMGPOBSA-N 2 1 237.250 -0.925 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638176007 352042129 /nfs/dbraw/zinc/04/21/29/352042129.db2.gz SESANNPTRGAKKM-SSDOTTSWSA-N 2 1 219.235 -0.256 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638176011 352042083 /nfs/dbraw/zinc/04/20/83/352042083.db2.gz SESANNPTRGAKKM-ZETCQYMHSA-N 2 1 219.235 -0.256 20 0 BBADMP CO[C@@]1(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCOC1 ZINC000638185852 352051004 /nfs/dbraw/zinc/05/10/04/352051004.db2.gz DCKVMEHCOUUJQB-GRYCIOLGSA-N 2 1 226.320 -0.057 20 0 BBADMP CO[C@]1(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCOC1 ZINC000638185854 352051054 /nfs/dbraw/zinc/05/10/54/352051054.db2.gz DCKVMEHCOUUJQB-TUAOUCFPSA-N 2 1 226.320 -0.057 20 0 BBADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638213478 352075046 /nfs/dbraw/zinc/07/50/46/352075046.db2.gz KRZGNQKKNCUTJS-PHIMTYICSA-N 2 1 234.303 -0.131 20 0 BBADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638214076 352075609 /nfs/dbraw/zinc/07/56/09/352075609.db2.gz TXZMNXVEQYHVRK-PHIMTYICSA-N 2 1 234.303 -0.131 20 0 BBADMP [NH3+][C@@H]1CC=C(C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000638227086 352083166 /nfs/dbraw/zinc/08/31/66/352083166.db2.gz MRHWHTAXUJDHBV-LLVKDONJSA-N 2 1 239.319 -0.830 20 0 BBADMP [NH3+][C@H]1CC=C(C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000638227092 352083195 /nfs/dbraw/zinc/08/31/95/352083195.db2.gz MRHWHTAXUJDHBV-NSHDSACASA-N 2 1 239.319 -0.830 20 0 BBADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000638242076 352089419 /nfs/dbraw/zinc/08/94/19/352089419.db2.gz APMCWHPVNXHDFC-SVDPJWKOSA-N 2 1 223.320 -0.338 20 0 BBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000638242078 352089736 /nfs/dbraw/zinc/08/97/36/352089736.db2.gz APMCWHPVNXHDFC-UXCLJVHYSA-N 2 1 223.320 -0.338 20 0 BBADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000638243320 352090885 /nfs/dbraw/zinc/09/08/85/352090885.db2.gz NHQLEUQLICULGV-ZRUFSTJUSA-N 2 1 223.320 -0.195 20 0 BBADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000638243699 352090034 /nfs/dbraw/zinc/09/00/34/352090034.db2.gz CLCHLGWANLUKJL-JZYVYDRUSA-N 2 1 220.276 -0.474 20 0 BBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)O1 ZINC000638244821 352092442 /nfs/dbraw/zinc/09/24/42/352092442.db2.gz ZQSMHMWURBJERZ-NZFPMDFQSA-N 2 1 239.319 -0.961 20 0 BBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)O1 ZINC000638244821 352092440 /nfs/dbraw/zinc/09/24/40/352092440.db2.gz ZQSMHMWURBJERZ-NZFPMDFQSA-N 2 1 239.319 -0.961 20 0 BBADMP C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)O1 ZINC000638244822 352092504 /nfs/dbraw/zinc/09/25/04/352092504.db2.gz ZQSMHMWURBJERZ-UVOCVTCTSA-N 2 1 239.319 -0.961 20 0 BBADMP C[C@@H]1C[N@H+](C)C[C@@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)O1 ZINC000638244822 352092502 /nfs/dbraw/zinc/09/25/02/352092502.db2.gz ZQSMHMWURBJERZ-UVOCVTCTSA-N 2 1 239.319 -0.961 20 0 BBADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000638247443 352093683 /nfs/dbraw/zinc/09/36/83/352093683.db2.gz XWZSHJCZHFLPOA-JZYVYDRUSA-N 2 1 220.276 -0.474 20 0 BBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638252669 352095883 /nfs/dbraw/zinc/09/58/83/352095883.db2.gz DLUXHKXSCSLJOQ-IQJOONFLSA-N 2 1 245.298 -0.737 20 0 BBADMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638252670 352095772 /nfs/dbraw/zinc/09/57/72/352095772.db2.gz DLUXHKXSCSLJOQ-NGZCFLSTSA-N 2 1 245.298 -0.737 20 0 BBADMP CC[NH2+][C@H](C)C(=O)NCC[N@H+]1CCCOCC1 ZINC000638292519 352127648 /nfs/dbraw/zinc/12/76/48/352127648.db2.gz DEEMSVXPIWOAJY-LLVKDONJSA-N 2 1 243.351 -0.177 20 0 BBADMP CC[NH2+][C@H](C)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000638292519 352127645 /nfs/dbraw/zinc/12/76/45/352127645.db2.gz DEEMSVXPIWOAJY-LLVKDONJSA-N 2 1 243.351 -0.177 20 0 BBADMP CC[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCCOCC1 ZINC000638292520 352127770 /nfs/dbraw/zinc/12/77/70/352127770.db2.gz DEEMSVXPIWOAJY-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP CC[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000638292520 352127768 /nfs/dbraw/zinc/12/77/68/352127768.db2.gz DEEMSVXPIWOAJY-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP C[C@H]([NH3+])CC(=O)NCC[N@H+]1CCCOCC1 ZINC000638295880 352129482 /nfs/dbraw/zinc/12/94/82/352129482.db2.gz XQZXRRCDTCIACG-JTQLQIEISA-N 2 1 229.324 -0.438 20 0 BBADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638304171 352132503 /nfs/dbraw/zinc/13/25/03/352132503.db2.gz MKUUBMZHGJJVIO-WDEREUQCSA-N 2 1 241.335 -0.345 20 0 BBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000638332957 352151078 /nfs/dbraw/zinc/15/10/78/352151078.db2.gz QFFFLDVZTSYNOW-PSASIEDQSA-N 2 1 222.292 -0.003 20 0 BBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000638337044 352155315 /nfs/dbraw/zinc/15/53/15/352155315.db2.gz BRNKTECEZUCZPJ-GHMZBOCLSA-N 2 1 241.335 -0.567 20 0 BBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000638337045 352155412 /nfs/dbraw/zinc/15/54/12/352155412.db2.gz BRNKTECEZUCZPJ-MNOVXSKESA-N 2 1 241.335 -0.567 20 0 BBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000638337046 352155243 /nfs/dbraw/zinc/15/52/43/352155243.db2.gz BRNKTECEZUCZPJ-QWRGUYRKSA-N 2 1 241.335 -0.567 20 0 BBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000638337047 352155094 /nfs/dbraw/zinc/15/50/94/352155094.db2.gz BRNKTECEZUCZPJ-WDEREUQCSA-N 2 1 241.335 -0.567 20 0 BBADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000638337387 352155889 /nfs/dbraw/zinc/15/58/89/352155889.db2.gz FOQRGQPNLQMMOR-JTQLQIEISA-N 2 1 238.291 -0.704 20 0 BBADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000638337388 352156171 /nfs/dbraw/zinc/15/61/71/352156171.db2.gz FOQRGQPNLQMMOR-SNVBAGLBSA-N 2 1 238.291 -0.704 20 0 BBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000638338280 352159058 /nfs/dbraw/zinc/15/90/58/352159058.db2.gz VCEAQWVRELOLSA-MNOVXSKESA-N 2 1 241.335 -0.425 20 0 BBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000638338281 352158841 /nfs/dbraw/zinc/15/88/41/352158841.db2.gz VCEAQWVRELOLSA-QWRGUYRKSA-N 2 1 241.335 -0.425 20 0 BBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000638338502 352158803 /nfs/dbraw/zinc/15/88/03/352158803.db2.gz XNUKTPJZSWUWHA-JTQLQIEISA-N 2 1 238.291 -0.704 20 0 BBADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000638338503 352159371 /nfs/dbraw/zinc/15/93/71/352159371.db2.gz XNUKTPJZSWUWHA-SNVBAGLBSA-N 2 1 238.291 -0.704 20 0 BBADMP CN(Cc1c[nH]cn1)C(=O)[C@@]1(C)CNCCO1 ZINC000638402730 352208869 /nfs/dbraw/zinc/20/88/69/352208869.db2.gz PDFOXXIARMQNIK-LLVKDONJSA-N 2 1 238.291 -0.253 20 0 BBADMP CN(Cc1cnc[nH]1)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638402730 352208867 /nfs/dbraw/zinc/20/88/67/352208867.db2.gz PDFOXXIARMQNIK-LLVKDONJSA-N 2 1 238.291 -0.253 20 0 BBADMP CN(Cc1c[nH]cn1)C(=O)[C@]1(C)CNCCO1 ZINC000638402731 352208715 /nfs/dbraw/zinc/20/87/15/352208715.db2.gz PDFOXXIARMQNIK-NSHDSACASA-N 2 1 238.291 -0.253 20 0 BBADMP CN(Cc1cnc[nH]1)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638402731 352208711 /nfs/dbraw/zinc/20/87/11/352208711.db2.gz PDFOXXIARMQNIK-NSHDSACASA-N 2 1 238.291 -0.253 20 0 BBADMP C[C@H]([NH3+])CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000638415506 352225909 /nfs/dbraw/zinc/22/59/09/352225909.db2.gz ZQFUXXMGDDTAJC-QWRGUYRKSA-N 2 1 241.335 -0.343 20 0 BBADMP C[C@H]([NH3+])CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000638415508 352226222 /nfs/dbraw/zinc/22/62/22/352226222.db2.gz ZQFUXXMGDDTAJC-WDEREUQCSA-N 2 1 241.335 -0.343 20 0 BBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638424322 352232212 /nfs/dbraw/zinc/23/22/12/352232212.db2.gz HODLLRROAZLHPN-GARJFASQSA-N 2 1 241.335 -0.297 20 0 BBADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638424323 352231981 /nfs/dbraw/zinc/23/19/81/352231981.db2.gz HODLLRROAZLHPN-OUAUKWLOSA-N 2 1 241.335 -0.297 20 0 BBADMP C[NH2+]C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC000638432873 352241601 /nfs/dbraw/zinc/24/16/01/352241601.db2.gz SHXOBCKZKJUCTC-MRVPVSSYSA-N 2 1 210.281 -0.084 20 0 BBADMP C[NH2+]C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC000638432874 352241715 /nfs/dbraw/zinc/24/17/15/352241715.db2.gz SHXOBCKZKJUCTC-QMMMGPOBSA-N 2 1 210.281 -0.084 20 0 BBADMP C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC000638433312 352242013 /nfs/dbraw/zinc/24/20/13/352242013.db2.gz YIFUMRAXSUZYQZ-MRVPVSSYSA-N 2 1 210.281 -0.084 20 0 BBADMP C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC000638433313 352242236 /nfs/dbraw/zinc/24/22/36/352242236.db2.gz YIFUMRAXSUZYQZ-QMMMGPOBSA-N 2 1 210.281 -0.084 20 0 BBADMP CC(C)[N@@H+](C)CCNCc1cnc(N)nc1N ZINC000638477578 386570203 /nfs/dbraw/zinc/57/02/03/386570203.db2.gz MTTXODRMWUVFDG-UHFFFAOYSA-N 2 1 238.339 -0.268 20 0 BBADMP CCN(CC[NH3+])C(=O)Cn1cc[nH+]c1C ZINC000638513558 352337999 /nfs/dbraw/zinc/33/79/99/352337999.db2.gz SHYSBBKVUYHKBR-UHFFFAOYSA-N 2 1 210.281 -0.001 20 0 BBADMP CCN(CC[NH3+])C(=O)Cn1c[nH+]cc1C ZINC000638513865 352339789 /nfs/dbraw/zinc/33/97/89/352339789.db2.gz XDNOAKKZGFRKFW-UHFFFAOYSA-N 2 1 210.281 -0.001 20 0 BBADMP CCN(CC[NH3+])C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000638517202 352345663 /nfs/dbraw/zinc/34/56/63/352345663.db2.gz OMBQXQAOEYRTKN-LLVKDONJSA-N 2 1 242.367 -0.571 20 0 BBADMP CCN(CC[NH3+])C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000638517203 352345801 /nfs/dbraw/zinc/34/58/01/352345801.db2.gz OMBQXQAOEYRTKN-NSHDSACASA-N 2 1 242.367 -0.571 20 0 BBADMP CCN(CC[NH3+])C(=O)[C@H]1CSC[NH2+]1 ZINC000638517331 386805794 /nfs/dbraw/zinc/80/57/94/386805794.db2.gz RCGMPAXUVQHXPR-SSDOTTSWSA-N 2 1 203.311 -0.544 20 0 BBADMP CCN(CC[NH3+])C(=O)[C@@H]1CSC[NH2+]1 ZINC000638517332 386807631 /nfs/dbraw/zinc/80/76/31/386807631.db2.gz RCGMPAXUVQHXPR-ZETCQYMHSA-N 2 1 203.311 -0.544 20 0 BBADMP CCN(CC[NH3+])C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000638517401 352348182 /nfs/dbraw/zinc/34/81/82/352348182.db2.gz UQWCUHRVIPIXTD-JTQLQIEISA-N 2 1 229.324 -0.486 20 0 BBADMP CCN(CC[NH3+])C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000638517401 352348178 /nfs/dbraw/zinc/34/81/78/352348178.db2.gz UQWCUHRVIPIXTD-JTQLQIEISA-N 2 1 229.324 -0.486 20 0 BBADMP CCN(CC[NH3+])C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000638517402 352347995 /nfs/dbraw/zinc/34/79/95/352347995.db2.gz UQWCUHRVIPIXTD-SNVBAGLBSA-N 2 1 229.324 -0.486 20 0 BBADMP CCN(CC[NH3+])C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000638517402 352347993 /nfs/dbraw/zinc/34/79/93/352347993.db2.gz UQWCUHRVIPIXTD-SNVBAGLBSA-N 2 1 229.324 -0.486 20 0 BBADMP C[NH+](C)CC[C@@H](N)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000638528261 352362866 /nfs/dbraw/zinc/36/28/66/352362866.db2.gz BVZZPYAMXFXIDQ-GHMZBOCLSA-N 2 1 242.367 -0.524 20 0 BBADMP C[NH+](C)CC[C@H](N)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000638528262 352362684 /nfs/dbraw/zinc/36/26/84/352362684.db2.gz BVZZPYAMXFXIDQ-MNOVXSKESA-N 2 1 242.367 -0.524 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000638528498 352362048 /nfs/dbraw/zinc/36/20/48/352362048.db2.gz JRBJXFKDAQSNED-DBIOUOCHSA-N 2 1 223.320 -0.053 20 0 BBADMP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000638535761 352367378 /nfs/dbraw/zinc/36/73/78/352367378.db2.gz FHGONDKZKCZIDW-MNOVXSKESA-N 2 1 243.351 -0.051 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000638537306 398120329 /nfs/dbraw/zinc/12/03/29/398120329.db2.gz YOFVHGXHZUERNP-GMTAPVOTSA-N 2 1 241.335 -0.439 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000638537309 398120287 /nfs/dbraw/zinc/12/02/87/398120287.db2.gz YOFVHGXHZUERNP-MXWKQRLJSA-N 2 1 241.335 -0.439 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000638537310 398120554 /nfs/dbraw/zinc/12/05/54/398120554.db2.gz YOFVHGXHZUERNP-OUAUKWLOSA-N 2 1 241.335 -0.439 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000638537312 398120777 /nfs/dbraw/zinc/12/07/77/398120777.db2.gz YOFVHGXHZUERNP-VWYCJHECSA-N 2 1 241.335 -0.439 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH3+])CCOCC1 ZINC000638539535 385816775 /nfs/dbraw/zinc/81/67/75/385816775.db2.gz BLVWJQRYUMPYOQ-UHFFFAOYSA-N 2 1 243.351 -0.049 20 0 BBADMP CCC[N@@H+](C)CC(=O)NCC1([NH3+])CCOCC1 ZINC000638540627 352371120 /nfs/dbraw/zinc/37/11/20/352371120.db2.gz PUDRXWKIPJPNOB-UHFFFAOYSA-N 2 1 243.351 -0.048 20 0 BBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CSC[NH2+]1 ZINC000638566653 352393216 /nfs/dbraw/zinc/39/32/16/352393216.db2.gz BUURAPRXEIDOCN-DJLDLDEBSA-N 2 1 229.349 -0.094 20 0 BBADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CSC[NH2+]1 ZINC000638566654 352393209 /nfs/dbraw/zinc/39/32/09/352393209.db2.gz BUURAPRXEIDOCN-YIZRAAEISA-N 2 1 229.349 -0.094 20 0 BBADMP C[NH2+]CCOCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000638573405 352399580 /nfs/dbraw/zinc/39/95/80/352399580.db2.gz DYFCEQRZZFJVJL-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP C[NH2+]CCOCCNC(=O)Cn1c[nH+]cc1C ZINC000638575116 352402278 /nfs/dbraw/zinc/40/22/78/352402278.db2.gz KVFGNSWQEIWNHK-UHFFFAOYSA-N 2 1 240.307 -0.456 20 0 BBADMP C[NH2+]CCOCCNC(=O)Cn1cc[nH+]c1C ZINC000638575645 352403266 /nfs/dbraw/zinc/40/32/66/352403266.db2.gz QMTXHBIJJNCIIK-UHFFFAOYSA-N 2 1 240.307 -0.456 20 0 BBADMP C[NH2+]CCOCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000638576880 352407747 /nfs/dbraw/zinc/40/77/47/352407747.db2.gz ROBBEONYGCQBRZ-GHMZBOCLSA-N 2 1 243.351 -0.321 20 0 BBADMP C[NH2+]CCOCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000638577913 352405815 /nfs/dbraw/zinc/40/58/15/352405815.db2.gz DYFCEQRZZFJVJL-LLVKDONJSA-N 2 1 243.351 -0.177 20 0 BBADMP CCC[N@@H+](C)CC(=O)NCCOCC[NH2+]C ZINC000638578271 352407703 /nfs/dbraw/zinc/40/77/03/352407703.db2.gz MRZWKAWWCCQRER-UHFFFAOYSA-N 2 1 231.340 -0.320 20 0 BBADMP C[NH2+]CCOCCNC(=O)C[N@@H+](C)C(C)C ZINC000638578594 352409024 /nfs/dbraw/zinc/40/90/24/352409024.db2.gz PMIVBVNZPRVUSL-UHFFFAOYSA-N 2 1 231.340 -0.321 20 0 BBADMP C[NH2+]CCOCCNC(=O)[C@H]1CSC[NH2+]1 ZINC000638579715 352410727 /nfs/dbraw/zinc/41/07/27/352410727.db2.gz WPPYOGLEKDTQQY-MRVPVSSYSA-N 2 1 233.337 -0.999 20 0 BBADMP C[NH2+]CCOCCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000638579716 352410697 /nfs/dbraw/zinc/41/06/97/352410697.db2.gz WPPYOGLEKDTQQY-QMMMGPOBSA-N 2 1 233.337 -0.999 20 0 BBADMP C[NH2+]CCOCCN(C)C(=O)[C@H]1CSC[NH2+]1 ZINC000638586562 352416080 /nfs/dbraw/zinc/41/60/80/352416080.db2.gz SXQHAPBSSWBEPY-SECBINFHSA-N 2 1 247.364 -0.657 20 0 BBADMP C[NH2+]CCOCCN(C)C(=O)[C@@H]1CSC[NH2+]1 ZINC000638586564 352415955 /nfs/dbraw/zinc/41/59/55/352415955.db2.gz SXQHAPBSSWBEPY-VIFPVBQESA-N 2 1 247.364 -0.657 20 0 BBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638611543 352450257 /nfs/dbraw/zinc/45/02/57/352450257.db2.gz HTWKMHRLSAEYPZ-MNOVXSKESA-N 2 1 241.335 -0.425 20 0 BBADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638611544 352449947 /nfs/dbraw/zinc/44/99/47/352449947.db2.gz HTWKMHRLSAEYPZ-QWRGUYRKSA-N 2 1 241.335 -0.425 20 0 BBADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1COCC[NH2+]1 ZINC000638611561 352450237 /nfs/dbraw/zinc/45/02/37/352450237.db2.gz IDAHNMZGUOQGEG-JTQLQIEISA-N 2 1 238.291 -0.704 20 0 BBADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638611562 352450394 /nfs/dbraw/zinc/45/03/94/352450394.db2.gz IDAHNMZGUOQGEG-SNVBAGLBSA-N 2 1 238.291 -0.704 20 0 BBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000638613639 398139785 /nfs/dbraw/zinc/13/97/85/398139785.db2.gz ZHIXDOZQXPRASX-GHMZBOCLSA-N 2 1 241.335 -0.567 20 0 BBADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000638613640 398140169 /nfs/dbraw/zinc/14/01/69/398140169.db2.gz ZHIXDOZQXPRASX-MNOVXSKESA-N 2 1 241.335 -0.567 20 0 BBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000638613642 398140393 /nfs/dbraw/zinc/14/03/93/398140393.db2.gz ZHIXDOZQXPRASX-QWRGUYRKSA-N 2 1 241.335 -0.567 20 0 BBADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000638613643 398140241 /nfs/dbraw/zinc/14/02/41/398140241.db2.gz ZHIXDOZQXPRASX-WDEREUQCSA-N 2 1 241.335 -0.567 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1COCC[NH2+]1 ZINC000638617477 352457355 /nfs/dbraw/zinc/45/73/55/352457355.db2.gz HSEISVHMLDWATJ-JTQLQIEISA-N 2 1 229.324 -0.569 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638617478 352457753 /nfs/dbraw/zinc/45/77/53/352457753.db2.gz HSEISVHMLDWATJ-SNVBAGLBSA-N 2 1 229.324 -0.569 20 0 BBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638617481 352457695 /nfs/dbraw/zinc/45/76/95/352457695.db2.gz HTWKMHRLSAEYPZ-GHMZBOCLSA-N 2 1 241.335 -0.425 20 0 BBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638617482 352457743 /nfs/dbraw/zinc/45/77/43/352457743.db2.gz HTWKMHRLSAEYPZ-WDEREUQCSA-N 2 1 241.335 -0.425 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)NC1(C[NH3+])CCOCC1 ZINC000638634318 352477428 /nfs/dbraw/zinc/47/74/28/352477428.db2.gz OBDLYPDYKMLQHJ-UHFFFAOYSA-N 2 1 243.351 -0.049 20 0 BBADMP C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CSC[NH2+]2)C[NH2+]1 ZINC000638644263 352487758 /nfs/dbraw/zinc/48/77/58/352487758.db2.gz OZZVLNUDEYBXPW-HLTSFMKQSA-N 2 1 229.349 -0.094 20 0 BBADMP C[C@@H]1CC[C@H](NC(=O)[C@H]2CSC[NH2+]2)C[NH2+]1 ZINC000638644265 352487703 /nfs/dbraw/zinc/48/77/03/352487703.db2.gz OZZVLNUDEYBXPW-HRDYMLBCSA-N 2 1 229.349 -0.094 20 0 BBADMP C[C@@H]1CC[C@@H](NC(=O)[C@H]2CSC[NH2+]2)C[NH2+]1 ZINC000638644267 352487814 /nfs/dbraw/zinc/48/78/14/352487814.db2.gz OZZVLNUDEYBXPW-IWSPIJDZSA-N 2 1 229.349 -0.094 20 0 BBADMP C[C@@H]1CC[C@H](NC(=O)[C@@H]2CSC[NH2+]2)C[NH2+]1 ZINC000638644269 352487521 /nfs/dbraw/zinc/48/75/21/352487521.db2.gz OZZVLNUDEYBXPW-VGMNWLOBSA-N 2 1 229.349 -0.094 20 0 BBADMP C[C@H]1CC[C@@H](NC(=O)[C@H]2CSC[NH2+]2)C[NH2+]1 ZINC000638655324 352496085 /nfs/dbraw/zinc/49/60/85/352496085.db2.gz OZZVLNUDEYBXPW-DJLDLDEBSA-N 2 1 229.349 -0.094 20 0 BBADMP C[C@H]1CC[C@H](NC(=O)[C@H]2CSC[NH2+]2)C[NH2+]1 ZINC000638655325 352496072 /nfs/dbraw/zinc/49/60/72/352496072.db2.gz OZZVLNUDEYBXPW-XHNCKOQMSA-N 2 1 229.349 -0.094 20 0 BBADMP [NH3+]CCCOCCNC(=O)[C@H]1CSC[NH2+]1 ZINC000638658566 352499086 /nfs/dbraw/zinc/49/90/86/352499086.db2.gz YACNMVUNJZLLFE-MRVPVSSYSA-N 2 1 233.337 -0.870 20 0 BBADMP [NH3+]CCCOCCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000638658567 352499291 /nfs/dbraw/zinc/49/92/91/352499291.db2.gz YACNMVUNJZLLFE-QMMMGPOBSA-N 2 1 233.337 -0.870 20 0 BBADMP CCC[N@@H+](C)CC(=O)NCCOCCC[NH3+] ZINC000638660237 352501384 /nfs/dbraw/zinc/50/13/84/352501384.db2.gz BBVAADBWIVZUFR-UHFFFAOYSA-N 2 1 231.340 -0.190 20 0 BBADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCOCCC[NH3+] ZINC000638660290 352501892 /nfs/dbraw/zinc/50/18/92/352501892.db2.gz CVMQSKYQLIXZIK-LLVKDONJSA-N 2 1 243.351 -0.048 20 0 BBADMP C[N@H+]1CCCC[C@H]1C(=O)NCCOCCC[NH3+] ZINC000638660291 352501479 /nfs/dbraw/zinc/50/14/79/352501479.db2.gz CVMQSKYQLIXZIK-NSHDSACASA-N 2 1 243.351 -0.048 20 0 BBADMP C[C@@H]1[C@H](C(=O)NCCOCCC[NH3+])CC[N@H+]1C ZINC000638661650 352504394 /nfs/dbraw/zinc/50/43/94/352504394.db2.gz CJEZATCZNRNWOR-GHMZBOCLSA-N 2 1 243.351 -0.192 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)NCCOCCC[NH3+] ZINC000638661678 352504792 /nfs/dbraw/zinc/50/47/92/352504792.db2.gz WJEXDFDHIZECQP-UHFFFAOYSA-N 2 1 231.340 -0.192 20 0 BBADMP Cc1c[nH+]cn1CC(=O)NCCOCCC[NH3+] ZINC000638663478 352507639 /nfs/dbraw/zinc/50/76/39/352507639.db2.gz LKHGGHCYOKBSFU-UHFFFAOYSA-N 2 1 240.307 -0.327 20 0 BBADMP C[N@H+]1CC[C@H](CC(=O)NCCOCCC[NH3+])C1 ZINC000638663673 352507805 /nfs/dbraw/zinc/50/78/05/352507805.db2.gz HVMPSWATBQVEGH-LLVKDONJSA-N 2 1 243.351 -0.190 20 0 BBADMP C[N@H+]1CC[C@@H](CC(=O)NCCOCCC[NH3+])C1 ZINC000638663674 352507786 /nfs/dbraw/zinc/50/77/86/352507786.db2.gz HVMPSWATBQVEGH-NSHDSACASA-N 2 1 243.351 -0.190 20 0 BBADMP Cc1[nH+]ccn1CC(=O)NCCOCCC[NH3+] ZINC000638664612 352508437 /nfs/dbraw/zinc/50/84/37/352508437.db2.gz YJEXDGDBRVHVRF-UHFFFAOYSA-N 2 1 240.307 -0.327 20 0 BBADMP Cc1[nH+]ccn1CC(=O)N(C)CCOCC[NH3+] ZINC000638669479 352511518 /nfs/dbraw/zinc/51/15/18/352511518.db2.gz DDRPJTANJQXTLF-UHFFFAOYSA-N 2 1 240.307 -0.375 20 0 BBADMP Cc1c[nH+]cn1CC(=O)N(C)CCOCC[NH3+] ZINC000638670412 352513706 /nfs/dbraw/zinc/51/37/06/352513706.db2.gz NQCIYEVWQAOQAP-UHFFFAOYSA-N 2 1 240.307 -0.375 20 0 BBADMP C[C@@H]1[C@H](C(=O)N(C)CCOCC[NH3+])CC[N@H+]1C ZINC000638673448 352514618 /nfs/dbraw/zinc/51/46/18/352514618.db2.gz SFHQVCUYSWSAKO-GHMZBOCLSA-N 2 1 243.351 -0.240 20 0 BBADMP CN(CCOCC[NH3+])C(=O)[C@H]1CSC[NH2+]1 ZINC000638674378 352515306 /nfs/dbraw/zinc/51/53/06/352515306.db2.gz INENAYWCYDCSOZ-MRVPVSSYSA-N 2 1 233.337 -0.917 20 0 BBADMP CN(CCOCC[NH3+])C(=O)[C@@H]1CSC[NH2+]1 ZINC000638674379 352515389 /nfs/dbraw/zinc/51/53/89/352515389.db2.gz INENAYWCYDCSOZ-QMMMGPOBSA-N 2 1 233.337 -0.917 20 0 BBADMP CN(CCOCC[NH3+])C(=O)[C@@H]1CCCC[N@H+]1C ZINC000638674898 352514295 /nfs/dbraw/zinc/51/42/95/352514295.db2.gz YSDROUKSMHVKDI-NSHDSACASA-N 2 1 243.351 -0.096 20 0 BBADMP CN(CCOCC[NH3+])C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000638674903 352514126 /nfs/dbraw/zinc/51/41/26/352514126.db2.gz YYKMKQVGFQKWCX-LLVKDONJSA-N 2 1 243.351 -0.238 20 0 BBADMP CN(CCOCC[NH3+])C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000638674904 352513960 /nfs/dbraw/zinc/51/39/60/352513960.db2.gz YYKMKQVGFQKWCX-NSHDSACASA-N 2 1 243.351 -0.238 20 0 BBADMP CCC[N@@H+](C)CC(=O)N(C)CCOCC[NH3+] ZINC000638675269 352514775 /nfs/dbraw/zinc/51/47/75/352514775.db2.gz SALCBMDDXMZTOH-UHFFFAOYSA-N 2 1 231.340 -0.238 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)N(C)CCOCC[NH3+] ZINC000638675441 352516972 /nfs/dbraw/zinc/51/69/72/352516972.db2.gz GENZSNCHNFCZDY-UHFFFAOYSA-N 2 1 231.340 -0.240 20 0 BBADMP CN(CCOCC[NH3+])C(=O)[C@H]1CCCC[N@H+]1C ZINC000638676548 352516260 /nfs/dbraw/zinc/51/62/60/352516260.db2.gz YSDROUKSMHVKDI-LLVKDONJSA-N 2 1 243.351 -0.096 20 0 BBADMP C[NH+](C)CC[C@H](N)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000638726798 352585164 /nfs/dbraw/zinc/58/51/64/352585164.db2.gz BVZZPYAMXFXIDQ-QWRGUYRKSA-N 2 1 242.367 -0.524 20 0 BBADMP C[NH+](C)CC[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000638726800 352585521 /nfs/dbraw/zinc/58/55/21/352585521.db2.gz BVZZPYAMXFXIDQ-WDEREUQCSA-N 2 1 242.367 -0.524 20 0 BBADMP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000638727321 352586496 /nfs/dbraw/zinc/58/64/96/352586496.db2.gz FHGONDKZKCZIDW-QWRGUYRKSA-N 2 1 243.351 -0.051 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000638727740 352586178 /nfs/dbraw/zinc/58/61/78/352586178.db2.gz KQOSMZUYIJFODD-GUBZILKMSA-N 2 1 211.309 -0.066 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000638729140 352589555 /nfs/dbraw/zinc/58/95/55/352589555.db2.gz YOFVHGXHZUERNP-AXFHLTTASA-N 2 1 241.335 -0.439 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000638729141 352589714 /nfs/dbraw/zinc/58/97/14/352589714.db2.gz YOFVHGXHZUERNP-DCAQKATOSA-N 2 1 241.335 -0.439 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000638729142 352589512 /nfs/dbraw/zinc/58/95/12/352589512.db2.gz YOFVHGXHZUERNP-GARJFASQSA-N 2 1 241.335 -0.439 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000638729143 352589368 /nfs/dbraw/zinc/58/93/68/352589368.db2.gz YOFVHGXHZUERNP-HBNTYKKESA-N 2 1 241.335 -0.439 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000638729190 352589641 /nfs/dbraw/zinc/58/96/41/352589641.db2.gz JRBJXFKDAQSNED-YTWAJWBKSA-N 2 1 223.320 -0.053 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000638730403 352593318 /nfs/dbraw/zinc/59/33/18/352593318.db2.gz XKJANUPWFOWMNK-UKKRHICBSA-N 2 1 223.320 -0.338 20 0 BBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CSC[NH2+]1 ZINC000638767583 352707417 /nfs/dbraw/zinc/70/74/17/352707417.db2.gz HCCYEJIQKJWHGH-RNJXMRFFSA-N 2 1 215.322 -0.485 20 0 BBADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CSC[NH2+]1 ZINC000638767584 352707360 /nfs/dbraw/zinc/70/73/60/352707360.db2.gz HCCYEJIQKJWHGH-XLPZGREQSA-N 2 1 215.322 -0.485 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000638767935 352708338 /nfs/dbraw/zinc/70/83/38/352708338.db2.gz MOKOYDRPJHNUGQ-AXFHLTTASA-N 2 1 241.335 -0.426 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000638767935 352708335 /nfs/dbraw/zinc/70/83/35/352708335.db2.gz MOKOYDRPJHNUGQ-AXFHLTTASA-N 2 1 241.335 -0.426 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000638767936 352708269 /nfs/dbraw/zinc/70/82/69/352708269.db2.gz MOKOYDRPJHNUGQ-HBNTYKKESA-N 2 1 241.335 -0.426 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000638767936 352708266 /nfs/dbraw/zinc/70/82/66/352708266.db2.gz MOKOYDRPJHNUGQ-HBNTYKKESA-N 2 1 241.335 -0.426 20 0 BBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000638791214 352752011 /nfs/dbraw/zinc/75/20/11/352752011.db2.gz DWZUKVODTDLKKH-OPRDCNLKSA-N 2 1 211.309 -0.195 20 0 BBADMP C[N@@H+]1CC=C(C[NH2+]Cc2cnc(N)nc2N)CC1 ZINC000638838613 353023110 /nfs/dbraw/zinc/02/31/10/353023110.db2.gz MJOGDCGFWLWOAH-UHFFFAOYSA-N 2 1 248.334 -0.347 20 0 BBADMP C[C@@H]1CN(C(=O)[C@@H]2CSC[NH2+]2)C[C@H]1C[NH3+] ZINC000638887103 353054193 /nfs/dbraw/zinc/05/41/93/353054193.db2.gz SWCXRQCFYZKOFG-HLTSFMKQSA-N 2 1 229.349 -0.298 20 0 BBADMP C[C@@H]1CN(C(=O)[C@H]2CSC[NH2+]2)C[C@H]1C[NH3+] ZINC000638887105 353053961 /nfs/dbraw/zinc/05/39/61/353053961.db2.gz SWCXRQCFYZKOFG-IWSPIJDZSA-N 2 1 229.349 -0.298 20 0 BBADMP O=C([C@H]1CSC[NH2+]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638910074 353067468 /nfs/dbraw/zinc/06/74/68/353067468.db2.gz NCHOXZHKDVMHKO-BIIVOSGPSA-N 2 1 213.306 -0.778 20 0 BBADMP O=C([C@@H]1CSC[NH2+]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638910175 353067720 /nfs/dbraw/zinc/06/77/20/353067720.db2.gz NCHOXZHKDVMHKO-FXQIFTODSA-N 2 1 213.306 -0.778 20 0 BBADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638913632 353072189 /nfs/dbraw/zinc/07/21/89/353072189.db2.gz AFNRNOROSSWIPO-UWVGGRQHSA-N 2 1 211.309 -0.099 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914164 353072835 /nfs/dbraw/zinc/07/28/35/353072835.db2.gz NSTGLBKFIAXIOP-UWVGGRQHSA-N 2 1 211.309 -0.101 20 0 BBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@H+]1C ZINC000638914640 353073473 /nfs/dbraw/zinc/07/34/73/353073473.db2.gz GCBJQPKFHZBPMZ-VPOLOUISSA-N 2 1 223.320 -0.101 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000638914769 353073260 /nfs/dbraw/zinc/07/32/60/353073260.db2.gz VRGOZDXJVRSWRH-DCAQKATOSA-N 2 1 239.319 -0.720 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000638914769 353073258 /nfs/dbraw/zinc/07/32/58/353073258.db2.gz VRGOZDXJVRSWRH-DCAQKATOSA-N 2 1 239.319 -0.720 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000638914776 353073254 /nfs/dbraw/zinc/07/32/54/353073254.db2.gz VRGOZDXJVRSWRH-GARJFASQSA-N 2 1 239.319 -0.720 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000638914776 353073251 /nfs/dbraw/zinc/07/32/51/353073251.db2.gz VRGOZDXJVRSWRH-GARJFASQSA-N 2 1 239.319 -0.720 20 0 BBADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638917864 353081900 /nfs/dbraw/zinc/08/19/00/353081900.db2.gz VKSUTWRROOXNSF-UWVGGRQHSA-N 2 1 220.276 -0.236 20 0 BBADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000638918266 353082593 /nfs/dbraw/zinc/08/25/93/353082593.db2.gz OIXXMDBNBQKZMO-DCAQKATOSA-N 2 1 223.320 -0.099 20 0 BBADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000638918267 353082402 /nfs/dbraw/zinc/08/24/02/353082402.db2.gz OIXXMDBNBQKZMO-VWYCJHECSA-N 2 1 223.320 -0.099 20 0 BBADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638918408 353083142 /nfs/dbraw/zinc/08/31/42/353083142.db2.gz PNFWQLMLRVDGDE-UWVGGRQHSA-N 2 1 220.276 -0.236 20 0 BBADMP O=C([C@H]1CSC[NH2+]1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638919111 353083597 /nfs/dbraw/zinc/08/35/97/353083597.db2.gz YPIARROACJSFSM-HRDYMLBCSA-N 2 1 227.333 -0.388 20 0 BBADMP O=C([C@@H]1CSC[NH2+]1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638919112 353083663 /nfs/dbraw/zinc/08/36/63/353083663.db2.gz YPIARROACJSFSM-YIZRAAEISA-N 2 1 227.333 -0.388 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]([NH3+])C[C@@H]2C)C1 ZINC000638936393 353106170 /nfs/dbraw/zinc/10/61/70/353106170.db2.gz QKGCHEBJTWKSRS-AXFHLTTASA-N 2 1 241.335 -0.345 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]([NH3+])C[C@@H]2C)C1 ZINC000638936393 353106169 /nfs/dbraw/zinc/10/61/69/353106169.db2.gz QKGCHEBJTWKSRS-AXFHLTTASA-N 2 1 241.335 -0.345 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)C1 ZINC000638936394 353106328 /nfs/dbraw/zinc/10/63/28/353106328.db2.gz QKGCHEBJTWKSRS-DCAQKATOSA-N 2 1 241.335 -0.345 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)C1 ZINC000638936394 353106326 /nfs/dbraw/zinc/10/63/26/353106326.db2.gz QKGCHEBJTWKSRS-DCAQKATOSA-N 2 1 241.335 -0.345 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]([NH3+])C[C@H]2C)C1 ZINC000638936395 353106947 /nfs/dbraw/zinc/10/69/47/353106947.db2.gz QKGCHEBJTWKSRS-MXWKQRLJSA-N 2 1 241.335 -0.345 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]([NH3+])C[C@H]2C)C1 ZINC000638936395 353106945 /nfs/dbraw/zinc/10/69/45/353106945.db2.gz QKGCHEBJTWKSRS-MXWKQRLJSA-N 2 1 241.335 -0.345 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH3+])C[C@H]2C)C1 ZINC000638936396 353106939 /nfs/dbraw/zinc/10/69/39/353106939.db2.gz QKGCHEBJTWKSRS-VWYCJHECSA-N 2 1 241.335 -0.345 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH3+])C[C@H]2C)C1 ZINC000638936396 353106937 /nfs/dbraw/zinc/10/69/37/353106937.db2.gz QKGCHEBJTWKSRS-VWYCJHECSA-N 2 1 241.335 -0.345 20 0 BBADMP [NH3+]CCC(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638986865 353215749 /nfs/dbraw/zinc/21/57/49/353215749.db2.gz FVFZNPCIDLMAJE-UHFFFAOYSA-N 2 1 249.318 -0.222 20 0 BBADMP CC(C)[C@H]1CN(C(=O)C2(O)C[NH2+]C2)CC[N@H+]1C ZINC000639018492 353274595 /nfs/dbraw/zinc/27/45/95/353274595.db2.gz LWWRXDHBWZQKNV-SNVBAGLBSA-N 2 1 241.335 -0.881 20 0 BBADMP CO[C@]1(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC000639049420 353344536 /nfs/dbraw/zinc/34/45/36/353344536.db2.gz QUQZGSDRTYFEOS-NEPJUHHUSA-N 2 1 244.335 -0.552 20 0 BBADMP CO[C@]1(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)CCOC1 ZINC000639049420 353344535 /nfs/dbraw/zinc/34/45/35/353344535.db2.gz QUQZGSDRTYFEOS-NEPJUHHUSA-N 2 1 244.335 -0.552 20 0 BBADMP CO[C@@]1(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC000639049421 353344584 /nfs/dbraw/zinc/34/45/84/353344584.db2.gz QUQZGSDRTYFEOS-NWDGAFQWSA-N 2 1 244.335 -0.552 20 0 BBADMP CO[C@@]1(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)CCOC1 ZINC000639049421 353344583 /nfs/dbraw/zinc/34/45/83/353344583.db2.gz QUQZGSDRTYFEOS-NWDGAFQWSA-N 2 1 244.335 -0.552 20 0 BBADMP CO[C@]1(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC000639049422 353344192 /nfs/dbraw/zinc/34/41/92/353344192.db2.gz QUQZGSDRTYFEOS-RYUDHWBXSA-N 2 1 244.335 -0.552 20 0 BBADMP CO[C@]1(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)CCOC1 ZINC000639049422 353344189 /nfs/dbraw/zinc/34/41/89/353344189.db2.gz QUQZGSDRTYFEOS-RYUDHWBXSA-N 2 1 244.335 -0.552 20 0 BBADMP CO[C@@]1(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC000639049423 353344373 /nfs/dbraw/zinc/34/43/73/353344373.db2.gz QUQZGSDRTYFEOS-VXGBXAGGSA-N 2 1 244.335 -0.552 20 0 BBADMP CO[C@@]1(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)CCOC1 ZINC000639049423 353344371 /nfs/dbraw/zinc/34/43/71/353344371.db2.gz QUQZGSDRTYFEOS-VXGBXAGGSA-N 2 1 244.335 -0.552 20 0 BBADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000639049710 353345102 /nfs/dbraw/zinc/34/51/02/353345102.db2.gz YIDXGKZSZZECHB-CMPLNLGQSA-N 2 1 241.335 -0.689 20 0 BBADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000639049710 353345097 /nfs/dbraw/zinc/34/50/97/353345097.db2.gz YIDXGKZSZZECHB-CMPLNLGQSA-N 2 1 241.335 -0.689 20 0 BBADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000639049711 353345261 /nfs/dbraw/zinc/34/52/61/353345261.db2.gz YIDXGKZSZZECHB-JQWIXIFHSA-N 2 1 241.335 -0.689 20 0 BBADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000639049711 353345259 /nfs/dbraw/zinc/34/52/59/353345259.db2.gz YIDXGKZSZZECHB-JQWIXIFHSA-N 2 1 241.335 -0.689 20 0 BBADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000639049712 353345278 /nfs/dbraw/zinc/34/52/78/353345278.db2.gz YIDXGKZSZZECHB-PWSUYJOCSA-N 2 1 241.335 -0.689 20 0 BBADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000639049712 353345277 /nfs/dbraw/zinc/34/52/77/353345277.db2.gz YIDXGKZSZZECHB-PWSUYJOCSA-N 2 1 241.335 -0.689 20 0 BBADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000639049713 353345208 /nfs/dbraw/zinc/34/52/08/353345208.db2.gz YIDXGKZSZZECHB-ZYHUDNBSSA-N 2 1 241.335 -0.689 20 0 BBADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000639049713 353345205 /nfs/dbraw/zinc/34/52/05/353345205.db2.gz YIDXGKZSZZECHB-ZYHUDNBSSA-N 2 1 241.335 -0.689 20 0 BBADMP Cn1cncc1CN1CCN(C)C[C@@H]1CO ZINC000639336220 355769011 /nfs/dbraw/zinc/76/90/11/355769011.db2.gz GBJAMGDFZXOHMI-LLVKDONJSA-N 2 1 224.308 -0.472 20 0 BBADMP Cn1cncc1CN1CC[N@@H+](C)C[C@@H]1CO ZINC000639336220 355769006 /nfs/dbraw/zinc/76/90/06/355769006.db2.gz GBJAMGDFZXOHMI-LLVKDONJSA-N 2 1 224.308 -0.472 20 0 BBADMP Cn1cncc1CN1CCN(C)C[C@H]1CO ZINC000639336221 355768963 /nfs/dbraw/zinc/76/89/63/355768963.db2.gz GBJAMGDFZXOHMI-NSHDSACASA-N 2 1 224.308 -0.472 20 0 BBADMP Cn1cncc1CN1CC[N@@H+](C)C[C@H]1CO ZINC000639336221 355768957 /nfs/dbraw/zinc/76/89/57/355768957.db2.gz GBJAMGDFZXOHMI-NSHDSACASA-N 2 1 224.308 -0.472 20 0 BBADMP C[C@@H]1C[C@H]([NH+](CCO)CCO)CC[N@H+]1C ZINC000639344492 355779956 /nfs/dbraw/zinc/77/99/56/355779956.db2.gz VQPCTBWLMOZTFC-GHMZBOCLSA-N 2 1 216.325 -0.244 20 0 BBADMP C[C@@H]1C[C@H]([NH+](CCO)CCO)CC[N@@H+]1C ZINC000639344492 355779954 /nfs/dbraw/zinc/77/99/54/355779954.db2.gz VQPCTBWLMOZTFC-GHMZBOCLSA-N 2 1 216.325 -0.244 20 0 BBADMP C[C@@H]1C[C@@H]([NH+](CCO)CCO)CC[N@H+]1C ZINC000639344493 355781077 /nfs/dbraw/zinc/78/10/77/355781077.db2.gz VQPCTBWLMOZTFC-MNOVXSKESA-N 2 1 216.325 -0.244 20 0 BBADMP C[C@@H]1C[C@@H]([NH+](CCO)CCO)CC[N@@H+]1C ZINC000639344493 355781074 /nfs/dbraw/zinc/78/10/74/355781074.db2.gz VQPCTBWLMOZTFC-MNOVXSKESA-N 2 1 216.325 -0.244 20 0 BBADMP C[C@H]1C[C@@H]([NH+](CCO)CCO)CC[N@H+]1C ZINC000639344494 355781006 /nfs/dbraw/zinc/78/10/06/355781006.db2.gz VQPCTBWLMOZTFC-QWRGUYRKSA-N 2 1 216.325 -0.244 20 0 BBADMP C[C@H]1C[C@@H]([NH+](CCO)CCO)CC[N@@H+]1C ZINC000639344494 355781004 /nfs/dbraw/zinc/78/10/04/355781004.db2.gz VQPCTBWLMOZTFC-QWRGUYRKSA-N 2 1 216.325 -0.244 20 0 BBADMP C[C@H]1C[C@H]([NH+](CCO)CCO)CC[N@H+]1C ZINC000639344495 355781344 /nfs/dbraw/zinc/78/13/44/355781344.db2.gz VQPCTBWLMOZTFC-WDEREUQCSA-N 2 1 216.325 -0.244 20 0 BBADMP C[C@H]1C[C@H]([NH+](CCO)CCO)CC[N@@H+]1C ZINC000639344495 355781338 /nfs/dbraw/zinc/78/13/38/355781338.db2.gz VQPCTBWLMOZTFC-WDEREUQCSA-N 2 1 216.325 -0.244 20 0 BBADMP CNC(=O)C[N@H+](C)CCc1cncn1C ZINC000639450545 356234897 /nfs/dbraw/zinc/23/48/97/356234897.db2.gz RODIHRSAWPZWFH-UHFFFAOYSA-N 2 1 210.281 -0.360 20 0 BBADMP Cn1cncc1CC[N@@H+](C)CCOCCO ZINC000639628561 356544461 /nfs/dbraw/zinc/54/44/61/356544461.db2.gz PYSOUPASJJKQRG-UHFFFAOYSA-N 2 1 227.308 -0.097 20 0 BBADMP CO[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@H]1O ZINC000639664925 356579505 /nfs/dbraw/zinc/57/95/05/356579505.db2.gz SVPBYLGPQVKRHA-GHMZBOCLSA-N 2 1 225.292 -0.346 20 0 BBADMP CO[C@@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@H]1O ZINC000639664925 356579504 /nfs/dbraw/zinc/57/95/04/356579504.db2.gz SVPBYLGPQVKRHA-GHMZBOCLSA-N 2 1 225.292 -0.346 20 0 BBADMP CO[C@@H]1COC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000639674479 356591456 /nfs/dbraw/zinc/59/14/56/356591456.db2.gz YTQWIFMXICOSBG-WDEREUQCSA-N 2 1 225.292 -0.034 20 0 BBADMP C[NH+]1CCC2(CC[N@@H+](CC(N)=O)C2)CC1 ZINC000639759575 356673230 /nfs/dbraw/zinc/67/32/30/356673230.db2.gz BTMVZTHYFSGOTE-UHFFFAOYSA-N 2 1 211.309 -0.111 20 0 BBADMP C[C@@H](O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761944 356679198 /nfs/dbraw/zinc/67/91/98/356679198.db2.gz IDIAWDIBVVEIOV-GHMZBOCLSA-N 2 1 216.325 -0.244 20 0 BBADMP C[C@@H](O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761944 356679195 /nfs/dbraw/zinc/67/91/95/356679195.db2.gz IDIAWDIBVVEIOV-GHMZBOCLSA-N 2 1 216.325 -0.244 20 0 BBADMP C[C@@H](O)C[N@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000639761944 356679192 /nfs/dbraw/zinc/67/91/92/356679192.db2.gz IDIAWDIBVVEIOV-GHMZBOCLSA-N 2 1 216.325 -0.244 20 0 BBADMP C[C@@H](O)C[N@@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000639761944 356679189 /nfs/dbraw/zinc/67/91/89/356679189.db2.gz IDIAWDIBVVEIOV-GHMZBOCLSA-N 2 1 216.325 -0.244 20 0 BBADMP C[C@@H](O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761945 356679702 /nfs/dbraw/zinc/67/97/02/356679702.db2.gz IDIAWDIBVVEIOV-MNOVXSKESA-N 2 1 216.325 -0.244 20 0 BBADMP C[C@@H](O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761945 356679699 /nfs/dbraw/zinc/67/96/99/356679699.db2.gz IDIAWDIBVVEIOV-MNOVXSKESA-N 2 1 216.325 -0.244 20 0 BBADMP C[C@@H](O)C[N@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000639761945 356679696 /nfs/dbraw/zinc/67/96/96/356679696.db2.gz IDIAWDIBVVEIOV-MNOVXSKESA-N 2 1 216.325 -0.244 20 0 BBADMP C[C@@H](O)C[N@@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000639761945 356679692 /nfs/dbraw/zinc/67/96/92/356679692.db2.gz IDIAWDIBVVEIOV-MNOVXSKESA-N 2 1 216.325 -0.244 20 0 BBADMP C[C@H](O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761946 356679598 /nfs/dbraw/zinc/67/95/98/356679598.db2.gz IDIAWDIBVVEIOV-QWRGUYRKSA-N 2 1 216.325 -0.244 20 0 BBADMP C[C@H](O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761946 356679593 /nfs/dbraw/zinc/67/95/93/356679593.db2.gz IDIAWDIBVVEIOV-QWRGUYRKSA-N 2 1 216.325 -0.244 20 0 BBADMP C[C@H](O)C[N@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000639761946 356679591 /nfs/dbraw/zinc/67/95/91/356679591.db2.gz IDIAWDIBVVEIOV-QWRGUYRKSA-N 2 1 216.325 -0.244 20 0 BBADMP C[C@H](O)C[N@@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000639761946 356679588 /nfs/dbraw/zinc/67/95/88/356679588.db2.gz IDIAWDIBVVEIOV-QWRGUYRKSA-N 2 1 216.325 -0.244 20 0 BBADMP C[C@H](O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761947 356679525 /nfs/dbraw/zinc/67/95/25/356679525.db2.gz IDIAWDIBVVEIOV-WDEREUQCSA-N 2 1 216.325 -0.244 20 0 BBADMP C[C@H](O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761947 356679521 /nfs/dbraw/zinc/67/95/21/356679521.db2.gz IDIAWDIBVVEIOV-WDEREUQCSA-N 2 1 216.325 -0.244 20 0 BBADMP CN(C)C[C@]1(O)CCC[N@@H+](CCOCCO)C1 ZINC000639762853 356686875 /nfs/dbraw/zinc/68/68/75/356686875.db2.gz OGAHYLYLXIPZDV-GFCCVEGCSA-N 2 1 246.351 -0.616 20 0 BBADMP CN(C)C[C@]1(O)CCC[N@H+](CCOCCO)C1 ZINC000639762853 356686871 /nfs/dbraw/zinc/68/68/71/356686871.db2.gz OGAHYLYLXIPZDV-GFCCVEGCSA-N 2 1 246.351 -0.616 20 0 BBADMP CN(C)C[C@@]1(O)CCC[N@@H+](CCOCCO)C1 ZINC000639762863 356687181 /nfs/dbraw/zinc/68/71/81/356687181.db2.gz OGAHYLYLXIPZDV-LBPRGKRZSA-N 2 1 246.351 -0.616 20 0 BBADMP CN(C)C[C@@]1(O)CCC[N@H+](CCOCCO)C1 ZINC000639762863 356687177 /nfs/dbraw/zinc/68/71/77/356687177.db2.gz OGAHYLYLXIPZDV-LBPRGKRZSA-N 2 1 246.351 -0.616 20 0 BBADMP CNC(=O)CC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763201 356688733 /nfs/dbraw/zinc/68/87/33/356688733.db2.gz PUKBMFGLPJWCTJ-GFCCVEGCSA-N 2 1 243.351 -0.489 20 0 BBADMP CNC(=O)CC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639763205 356689048 /nfs/dbraw/zinc/68/90/48/356689048.db2.gz PUKBMFGLPJWCTJ-LBPRGKRZSA-N 2 1 243.351 -0.489 20 0 BBADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCCO)C1 ZINC000639764930 356691962 /nfs/dbraw/zinc/69/19/62/356691962.db2.gz XDRVVBKIMGVKSC-LLVKDONJSA-N 2 1 216.325 -0.243 20 0 BBADMP C[NH+](C)C[C@]1(O)CCC[N@H+](CCCO)C1 ZINC000639764930 356691959 /nfs/dbraw/zinc/69/19/59/356691959.db2.gz XDRVVBKIMGVKSC-LLVKDONJSA-N 2 1 216.325 -0.243 20 0 BBADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCCO)C1 ZINC000639764934 356691841 /nfs/dbraw/zinc/69/18/41/356691841.db2.gz XDRVVBKIMGVKSC-NSHDSACASA-N 2 1 216.325 -0.243 20 0 BBADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCCO)C1 ZINC000639764934 356691838 /nfs/dbraw/zinc/69/18/38/356691838.db2.gz XDRVVBKIMGVKSC-NSHDSACASA-N 2 1 216.325 -0.243 20 0 BBADMP COC[C@H](O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639769485 356709284 /nfs/dbraw/zinc/70/92/84/356709284.db2.gz YRGVRJJQVHNJCA-NEPJUHHUSA-N 2 1 246.351 -0.618 20 0 BBADMP COC[C@H](O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639769485 356709279 /nfs/dbraw/zinc/70/92/79/356709279.db2.gz YRGVRJJQVHNJCA-NEPJUHHUSA-N 2 1 246.351 -0.618 20 0 BBADMP COC[C@@H](O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639769486 356709388 /nfs/dbraw/zinc/70/93/88/356709388.db2.gz YRGVRJJQVHNJCA-NWDGAFQWSA-N 2 1 246.351 -0.618 20 0 BBADMP COC[C@@H](O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639769486 356709385 /nfs/dbraw/zinc/70/93/85/356709385.db2.gz YRGVRJJQVHNJCA-NWDGAFQWSA-N 2 1 246.351 -0.618 20 0 BBADMP COC[C@@H](O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639769488 356709351 /nfs/dbraw/zinc/70/93/51/356709351.db2.gz YRGVRJJQVHNJCA-RYUDHWBXSA-N 2 1 246.351 -0.618 20 0 BBADMP COC[C@@H](O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639769488 356709349 /nfs/dbraw/zinc/70/93/49/356709349.db2.gz YRGVRJJQVHNJCA-RYUDHWBXSA-N 2 1 246.351 -0.618 20 0 BBADMP COC[C@H](O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639769489 356709396 /nfs/dbraw/zinc/70/93/96/356709396.db2.gz YRGVRJJQVHNJCA-VXGBXAGGSA-N 2 1 246.351 -0.618 20 0 BBADMP COC[C@H](O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639769489 356709395 /nfs/dbraw/zinc/70/93/95/356709395.db2.gz YRGVRJJQVHNJCA-VXGBXAGGSA-N 2 1 246.351 -0.618 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000639783209 356732809 /nfs/dbraw/zinc/73/28/09/356732809.db2.gz DZXHDANCFZELQJ-IJLUTSLNSA-N 2 1 246.351 -0.883 20 0 BBADMP CC[N@H+](C)C[C@@H](O)C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000639783209 356732807 /nfs/dbraw/zinc/73/28/07/356732807.db2.gz DZXHDANCFZELQJ-IJLUTSLNSA-N 2 1 246.351 -0.883 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000639783210 356732947 /nfs/dbraw/zinc/73/29/47/356732947.db2.gz DZXHDANCFZELQJ-UTUOFQBUSA-N 2 1 246.351 -0.883 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000639783210 356732945 /nfs/dbraw/zinc/73/29/45/356732945.db2.gz DZXHDANCFZELQJ-UTUOFQBUSA-N 2 1 246.351 -0.883 20 0 BBADMP CCN(C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639850947 356854885 /nfs/dbraw/zinc/85/48/85/356854885.db2.gz YAPBFIIAOFGFGT-GRYCIOLGSA-N 2 1 246.351 -0.883 20 0 BBADMP CCN(C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639850947 356854882 /nfs/dbraw/zinc/85/48/82/356854882.db2.gz YAPBFIIAOFGFGT-GRYCIOLGSA-N 2 1 246.351 -0.883 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1C[C@H](O)C[C@]1(C)CO ZINC000639850947 356854877 /nfs/dbraw/zinc/85/48/77/356854877.db2.gz YAPBFIIAOFGFGT-GRYCIOLGSA-N 2 1 246.351 -0.883 20 0 BBADMP CCN(C)C[C@H](O)C[N@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639850948 356855246 /nfs/dbraw/zinc/85/52/46/356855246.db2.gz YAPBFIIAOFGFGT-SDDRHHMPSA-N 2 1 246.351 -0.883 20 0 BBADMP CCN(C)C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639850948 356855244 /nfs/dbraw/zinc/85/52/44/356855244.db2.gz YAPBFIIAOFGFGT-SDDRHHMPSA-N 2 1 246.351 -0.883 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1C[C@@H](O)C[C@]1(C)CO ZINC000639850948 356855241 /nfs/dbraw/zinc/85/52/41/356855241.db2.gz YAPBFIIAOFGFGT-SDDRHHMPSA-N 2 1 246.351 -0.883 20 0 BBADMP CCN(C)C[C@H](O)C[N@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639850949 356855074 /nfs/dbraw/zinc/85/50/74/356855074.db2.gz YAPBFIIAOFGFGT-SRVKXCTJSA-N 2 1 246.351 -0.883 20 0 BBADMP CCN(C)C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639850949 356855071 /nfs/dbraw/zinc/85/50/71/356855071.db2.gz YAPBFIIAOFGFGT-SRVKXCTJSA-N 2 1 246.351 -0.883 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1C[C@@H](O)C[C@@]1(C)CO ZINC000639850949 356855068 /nfs/dbraw/zinc/85/50/68/356855068.db2.gz YAPBFIIAOFGFGT-SRVKXCTJSA-N 2 1 246.351 -0.883 20 0 BBADMP CCN(C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639850950 356855010 /nfs/dbraw/zinc/85/50/10/356855010.db2.gz YAPBFIIAOFGFGT-WOPDTQHZSA-N 2 1 246.351 -0.883 20 0 BBADMP CCN(C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639850950 356855007 /nfs/dbraw/zinc/85/50/07/356855007.db2.gz YAPBFIIAOFGFGT-WOPDTQHZSA-N 2 1 246.351 -0.883 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1C[C@H](O)C[C@@]1(C)CO ZINC000639850950 356855004 /nfs/dbraw/zinc/85/50/04/356855004.db2.gz YAPBFIIAOFGFGT-WOPDTQHZSA-N 2 1 246.351 -0.883 20 0 BBADMP C[C@]1(CO)C[C@@H](O)C[N@H+]1CCn1ccnc1 ZINC000639851215 356856062 /nfs/dbraw/zinc/85/60/62/356856062.db2.gz ZZWCLVFCWJNAOU-GHMZBOCLSA-N 2 1 225.292 -0.299 20 0 BBADMP C[C@@]1(CO)C[C@@H](O)C[N@H+]1CCn1ccnc1 ZINC000639851216 356856083 /nfs/dbraw/zinc/85/60/83/356856083.db2.gz ZZWCLVFCWJNAOU-MNOVXSKESA-N 2 1 225.292 -0.299 20 0 BBADMP C[C@@]1(CO)C[C@H](O)C[N@H+]1CCn1ccnc1 ZINC000639851217 356855845 /nfs/dbraw/zinc/85/58/45/356855845.db2.gz ZZWCLVFCWJNAOU-QWRGUYRKSA-N 2 1 225.292 -0.299 20 0 BBADMP CCN(C)C[C@H](O)C[NH2+][C@](C)(CO)COC ZINC000639956006 357977874 /nfs/dbraw/zinc/97/78/74/357977874.db2.gz ANLVXSZKUOVNAK-GHMZBOCLSA-N 2 1 234.340 -0.714 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN[C@](C)(CO)COC ZINC000639956006 357977870 /nfs/dbraw/zinc/97/78/70/357977870.db2.gz ANLVXSZKUOVNAK-GHMZBOCLSA-N 2 1 234.340 -0.714 20 0 BBADMP CCN(C)C[C@H](O)C[NH2+][C@@](C)(CO)COC ZINC000639956007 357978532 /nfs/dbraw/zinc/97/85/32/357978532.db2.gz ANLVXSZKUOVNAK-MNOVXSKESA-N 2 1 234.340 -0.714 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN[C@@](C)(CO)COC ZINC000639956007 357978530 /nfs/dbraw/zinc/97/85/30/357978530.db2.gz ANLVXSZKUOVNAK-MNOVXSKESA-N 2 1 234.340 -0.714 20 0 BBADMP CCN(C)C[C@@H](O)C[NH2+][C@@](C)(CO)COC ZINC000639956008 357978340 /nfs/dbraw/zinc/97/83/40/357978340.db2.gz ANLVXSZKUOVNAK-QWRGUYRKSA-N 2 1 234.340 -0.714 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)CN[C@@](C)(CO)COC ZINC000639956008 357978336 /nfs/dbraw/zinc/97/83/36/357978336.db2.gz ANLVXSZKUOVNAK-QWRGUYRKSA-N 2 1 234.340 -0.714 20 0 BBADMP CCN(C)C[C@@H](O)C[NH2+][C@](C)(CO)COC ZINC000639956009 357978358 /nfs/dbraw/zinc/97/83/58/357978358.db2.gz ANLVXSZKUOVNAK-WDEREUQCSA-N 2 1 234.340 -0.714 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)CN[C@](C)(CO)COC ZINC000639956009 357978354 /nfs/dbraw/zinc/97/83/54/357978354.db2.gz ANLVXSZKUOVNAK-WDEREUQCSA-N 2 1 234.340 -0.714 20 0 BBADMP COC[C@@](C)(CO)[NH2+]CCc1c[nH+]cn1C ZINC000639957316 357981097 /nfs/dbraw/zinc/98/10/97/357981097.db2.gz LLZUYFLQSSTVHI-LLVKDONJSA-N 2 1 227.308 -0.050 20 0 BBADMP COC[C@](C)(CO)[NH2+]CCc1c[nH+]cn1C ZINC000639957317 357980724 /nfs/dbraw/zinc/98/07/24/357980724.db2.gz LLZUYFLQSSTVHI-NSHDSACASA-N 2 1 227.308 -0.050 20 0 BBADMP C[C@@H]([NH3+])CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000641427403 362411703 /nfs/dbraw/zinc/41/17/03/362411703.db2.gz YWZRONOFPYIGJZ-SECBINFHSA-N 2 1 226.324 -0.177 20 0 BBADMP C[C@H]([NH3+])CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000641427404 362411524 /nfs/dbraw/zinc/41/15/24/362411524.db2.gz YWZRONOFPYIGJZ-VIFPVBQESA-N 2 1 226.324 -0.177 20 0 BBADMP CC[NH+]1CCN(C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000641470283 362437824 /nfs/dbraw/zinc/43/78/24/362437824.db2.gz DRCQSDBEILHJIG-SECBINFHSA-N 2 1 214.313 -0.319 20 0 BBADMP CC[NH+]1CCN(C(=O)NC[C@H](C)[NH3+])CC1 ZINC000641470285 362437711 /nfs/dbraw/zinc/43/77/11/362437711.db2.gz DRCQSDBEILHJIG-VIFPVBQESA-N 2 1 214.313 -0.319 20 0 BBADMP C[C@H]([NH3+])CNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000641471627 362445390 /nfs/dbraw/zinc/44/53/90/362445390.db2.gz IAMJIWBBTZKLMY-JTQLQIEISA-N 2 1 226.324 -0.105 20 0 BBADMP C[C@@H]([NH3+])CNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000641471628 362445242 /nfs/dbraw/zinc/44/52/42/362445242.db2.gz IAMJIWBBTZKLMY-SNVBAGLBSA-N 2 1 226.324 -0.105 20 0 BBADMP COC[C@@H](C(N)=O)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000641793193 362735348 /nfs/dbraw/zinc/73/53/48/362735348.db2.gz HHAHCEKHLPAXLG-JTQLQIEISA-N 2 1 229.324 -0.582 20 0 BBADMP C[N@@H+](CCCS(N)(=O)=O)CC(C)(C)C[NH3+] ZINC000641796619 362740269 /nfs/dbraw/zinc/74/02/69/362740269.db2.gz DRGWOXHXTZYYCR-UHFFFAOYSA-N 2 1 237.369 -0.418 20 0 BBADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCS(N)(=O)=O)C1 ZINC000641796701 362740252 /nfs/dbraw/zinc/74/02/52/362740252.db2.gz IBWWFXABOCYHNE-JTQLQIEISA-N 2 1 249.380 -0.404 20 0 BBADMP C[NH2+]C[C@@H]1CCC[N@H+](CCCS(N)(=O)=O)C1 ZINC000641796701 362740248 /nfs/dbraw/zinc/74/02/48/362740248.db2.gz IBWWFXABOCYHNE-JTQLQIEISA-N 2 1 249.380 -0.404 20 0 BBADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCS(N)(=O)=O)C1 ZINC000641796702 362739699 /nfs/dbraw/zinc/73/96/99/362739699.db2.gz IBWWFXABOCYHNE-SNVBAGLBSA-N 2 1 249.380 -0.404 20 0 BBADMP C[NH2+]C[C@H]1CCC[N@H+](CCCS(N)(=O)=O)C1 ZINC000641796702 362739694 /nfs/dbraw/zinc/73/96/94/362739694.db2.gz IBWWFXABOCYHNE-SNVBAGLBSA-N 2 1 249.380 -0.404 20 0 BBADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCCS(N)(=O)=O)C1 ZINC000641796716 362740488 /nfs/dbraw/zinc/74/04/88/362740488.db2.gz IIXSUIXBCWCKKF-NXEZZACHSA-N 2 1 249.380 -0.276 20 0 BBADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCCS(N)(=O)=O)C1 ZINC000641796717 362739761 /nfs/dbraw/zinc/73/97/61/362739761.db2.gz IIXSUIXBCWCKKF-UWVGGRQHSA-N 2 1 249.380 -0.276 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCCS(N)(=O)=O)C1 ZINC000641796718 362740079 /nfs/dbraw/zinc/74/00/79/362740079.db2.gz IIXSUIXBCWCKKF-VHSXEESVSA-N 2 1 249.380 -0.276 20 0 BBADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCCS(N)(=O)=O)C1 ZINC000641796719 362740164 /nfs/dbraw/zinc/74/01/64/362740164.db2.gz IIXSUIXBCWCKKF-ZJUUUORDSA-N 2 1 249.380 -0.276 20 0 BBADMP Cn1c[nH+]cc1CCN1CCO[C@H](C[NH3+])C1 ZINC000641797365 362742618 /nfs/dbraw/zinc/74/26/18/362742618.db2.gz BOLOQJZMJYXQRN-LLVKDONJSA-N 2 1 224.308 -0.378 20 0 BBADMP Cn1c[nH+]cc1CCN1CCO[C@@H](C[NH3+])C1 ZINC000641797366 362743323 /nfs/dbraw/zinc/74/33/23/362743323.db2.gz BOLOQJZMJYXQRN-NSHDSACASA-N 2 1 224.308 -0.378 20 0 BBADMP NS(=O)(=O)CCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000641797438 362743572 /nfs/dbraw/zinc/74/35/72/362743572.db2.gz BVMFUDBJMWUYNN-NXEZZACHSA-N 2 1 247.364 -0.651 20 0 BBADMP NS(=O)(=O)CCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000641797438 362743570 /nfs/dbraw/zinc/74/35/70/362743570.db2.gz BVMFUDBJMWUYNN-NXEZZACHSA-N 2 1 247.364 -0.651 20 0 BBADMP NS(=O)(=O)CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000641797439 362742946 /nfs/dbraw/zinc/74/29/46/362742946.db2.gz BVMFUDBJMWUYNN-UWVGGRQHSA-N 2 1 247.364 -0.651 20 0 BBADMP NS(=O)(=O)CCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000641797439 362742943 /nfs/dbraw/zinc/74/29/43/362742943.db2.gz BVMFUDBJMWUYNN-UWVGGRQHSA-N 2 1 247.364 -0.651 20 0 BBADMP NS(=O)(=O)CCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000641797440 362743272 /nfs/dbraw/zinc/74/32/72/362743272.db2.gz BVMFUDBJMWUYNN-VHSXEESVSA-N 2 1 247.364 -0.651 20 0 BBADMP NS(=O)(=O)CCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000641797440 362743270 /nfs/dbraw/zinc/74/32/70/362743270.db2.gz BVMFUDBJMWUYNN-VHSXEESVSA-N 2 1 247.364 -0.651 20 0 BBADMP NS(=O)(=O)CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000641797441 362743178 /nfs/dbraw/zinc/74/31/78/362743178.db2.gz BVMFUDBJMWUYNN-ZJUUUORDSA-N 2 1 247.364 -0.651 20 0 BBADMP NS(=O)(=O)CCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000641797441 362743174 /nfs/dbraw/zinc/74/31/74/362743174.db2.gz BVMFUDBJMWUYNN-ZJUUUORDSA-N 2 1 247.364 -0.651 20 0 BBADMP C[NH2+]CCC[N@@H+](C)CCCS(N)(=O)=O ZINC000641798323 362744257 /nfs/dbraw/zinc/74/42/57/362744257.db2.gz FPKUWQBJHUVHTG-UHFFFAOYSA-N 2 1 223.342 -0.794 20 0 BBADMP C[NH2+]CCC[N@H+](C)CCCS(N)(=O)=O ZINC000641798323 362744253 /nfs/dbraw/zinc/74/42/53/362744253.db2.gz FPKUWQBJHUVHTG-UHFFFAOYSA-N 2 1 223.342 -0.794 20 0 BBADMP CC[C@@H]1C[N@@H+](CCCS(N)(=O)=O)CC[C@H]1[NH3+] ZINC000641798557 362744413 /nfs/dbraw/zinc/74/44/13/362744413.db2.gz JOXJWFYCWUYPPM-NXEZZACHSA-N 2 1 249.380 -0.276 20 0 BBADMP CC[C@H]1C[N@@H+](CCCS(N)(=O)=O)CC[C@@H]1[NH3+] ZINC000641798560 362744489 /nfs/dbraw/zinc/74/44/89/362744489.db2.gz JOXJWFYCWUYPPM-UWVGGRQHSA-N 2 1 249.380 -0.276 20 0 BBADMP CC[C@H]1C[N@@H+](CCCS(N)(=O)=O)CC[C@H]1[NH3+] ZINC000641798562 362744382 /nfs/dbraw/zinc/74/43/82/362744382.db2.gz JOXJWFYCWUYPPM-VHSXEESVSA-N 2 1 249.380 -0.276 20 0 BBADMP CC[C@@H]1C[N@@H+](CCCS(N)(=O)=O)CC[C@@H]1[NH3+] ZINC000641798565 362744269 /nfs/dbraw/zinc/74/42/69/362744269.db2.gz JOXJWFYCWUYPPM-ZJUUUORDSA-N 2 1 249.380 -0.276 20 0 BBADMP C[C@@H]1CC[N@@H+](CCCS(N)(=O)=O)C[C@H]1C[NH3+] ZINC000641799053 362746135 /nfs/dbraw/zinc/74/61/35/362746135.db2.gz IULGDEAAMCLHHH-NXEZZACHSA-N 2 1 249.380 -0.418 20 0 BBADMP C[C@H]1CC[N@@H+](CCCS(N)(=O)=O)C[C@@H]1C[NH3+] ZINC000641799054 362747227 /nfs/dbraw/zinc/74/72/27/362747227.db2.gz IULGDEAAMCLHHH-UWVGGRQHSA-N 2 1 249.380 -0.418 20 0 BBADMP C[C@H]1CC[N@@H+](CCCS(N)(=O)=O)C[C@H]1C[NH3+] ZINC000641799055 362746037 /nfs/dbraw/zinc/74/60/37/362746037.db2.gz IULGDEAAMCLHHH-VHSXEESVSA-N 2 1 249.380 -0.418 20 0 BBADMP C[C@@H]1CC[N@@H+](CCCS(N)(=O)=O)C[C@@H]1C[NH3+] ZINC000641799056 362746894 /nfs/dbraw/zinc/74/68/94/362746894.db2.gz IULGDEAAMCLHHH-ZJUUUORDSA-N 2 1 249.380 -0.418 20 0 BBADMP NS(=O)(=O)CCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000641799326 362748699 /nfs/dbraw/zinc/74/86/99/362748699.db2.gz ULZVQFNWVWCFCL-JTQLQIEISA-N 2 1 247.364 -0.650 20 0 BBADMP NS(=O)(=O)CCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000641799326 362748694 /nfs/dbraw/zinc/74/86/94/362748694.db2.gz ULZVQFNWVWCFCL-JTQLQIEISA-N 2 1 247.364 -0.650 20 0 BBADMP NS(=O)(=O)CCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000641799327 362749076 /nfs/dbraw/zinc/74/90/76/362749076.db2.gz ULZVQFNWVWCFCL-SNVBAGLBSA-N 2 1 247.364 -0.650 20 0 BBADMP NS(=O)(=O)CCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000641799327 362749070 /nfs/dbraw/zinc/74/90/70/362749070.db2.gz ULZVQFNWVWCFCL-SNVBAGLBSA-N 2 1 247.364 -0.650 20 0 BBADMP NS(=O)(=O)CCC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000641800169 362750419 /nfs/dbraw/zinc/75/04/19/362750419.db2.gz XSMOTNSVOQIUTM-JTQLQIEISA-N 2 1 249.380 -0.274 20 0 BBADMP NS(=O)(=O)CCC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000641800170 362749694 /nfs/dbraw/zinc/74/96/94/362749694.db2.gz XSMOTNSVOQIUTM-SNVBAGLBSA-N 2 1 249.380 -0.274 20 0 BBADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCCS(N)(=O)=O ZINC000641800663 362751662 /nfs/dbraw/zinc/75/16/62/362751662.db2.gz ZXGSXZIOWIBIFL-BBBLOLIVSA-N 2 1 249.380 -0.359 20 0 BBADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCCS(N)(=O)=O ZINC000641800665 362751875 /nfs/dbraw/zinc/75/18/75/362751875.db2.gz ZXGSXZIOWIBIFL-KXUCPTDWSA-N 2 1 249.380 -0.359 20 0 BBADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCCS(N)(=O)=O ZINC000641800667 362751499 /nfs/dbraw/zinc/75/14/99/362751499.db2.gz ZXGSXZIOWIBIFL-OPRDCNLKSA-N 2 1 249.380 -0.359 20 0 BBADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCCS(N)(=O)=O ZINC000641800669 362752239 /nfs/dbraw/zinc/75/22/39/362752239.db2.gz ZXGSXZIOWIBIFL-UTLUCORTSA-N 2 1 249.380 -0.359 20 0 BBADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H]1CNCCO1 ZINC000641801048 362753039 /nfs/dbraw/zinc/75/30/39/362753039.db2.gz LXEWSRIAHRMQNO-AEJSXWLSSA-N 2 1 213.325 -0.310 20 0 BBADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@H]1CNCCO1 ZINC000641801049 362753602 /nfs/dbraw/zinc/75/36/02/362753602.db2.gz LXEWSRIAHRMQNO-BBBLOLIVSA-N 2 1 213.325 -0.310 20 0 BBADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@@H]1CNCCO1 ZINC000641801050 362753359 /nfs/dbraw/zinc/75/33/59/362753359.db2.gz LXEWSRIAHRMQNO-IVZWLZJFSA-N 2 1 213.325 -0.310 20 0 BBADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@H]1CNCCO1 ZINC000641801051 362753627 /nfs/dbraw/zinc/75/36/27/362753627.db2.gz LXEWSRIAHRMQNO-OPRDCNLKSA-N 2 1 213.325 -0.310 20 0 BBADMP COCCCNC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641802480 362759463 /nfs/dbraw/zinc/75/94/63/362759463.db2.gz LRFVMGMWTCAIFO-NXEZZACHSA-N 2 1 243.351 -0.146 20 0 BBADMP COCCCNC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641802481 362759982 /nfs/dbraw/zinc/75/99/82/362759982.db2.gz LRFVMGMWTCAIFO-UWVGGRQHSA-N 2 1 243.351 -0.146 20 0 BBADMP COCCCNC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641802482 362759333 /nfs/dbraw/zinc/75/93/33/362759333.db2.gz LRFVMGMWTCAIFO-VHSXEESVSA-N 2 1 243.351 -0.146 20 0 BBADMP COCCCNC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641802483 362759856 /nfs/dbraw/zinc/75/98/56/362759856.db2.gz LRFVMGMWTCAIFO-ZJUUUORDSA-N 2 1 243.351 -0.146 20 0 BBADMP CCOCCNC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641802932 362759393 /nfs/dbraw/zinc/75/93/93/362759393.db2.gz PNIRPQMDAJXQPQ-NXEZZACHSA-N 2 1 243.351 -0.146 20 0 BBADMP CCOCCNC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641802933 362759475 /nfs/dbraw/zinc/75/94/75/362759475.db2.gz PNIRPQMDAJXQPQ-UWVGGRQHSA-N 2 1 243.351 -0.146 20 0 BBADMP CCOCCNC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641802934 362759668 /nfs/dbraw/zinc/75/96/68/362759668.db2.gz PNIRPQMDAJXQPQ-VHSXEESVSA-N 2 1 243.351 -0.146 20 0 BBADMP CCOCCNC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641802935 362760133 /nfs/dbraw/zinc/76/01/33/362760133.db2.gz PNIRPQMDAJXQPQ-ZJUUUORDSA-N 2 1 243.351 -0.146 20 0 BBADMP COC[C@@H](C(N)=O)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000641805558 362763231 /nfs/dbraw/zinc/76/32/31/362763231.db2.gz NTTRTUPTYPSJHF-MNOVXSKESA-N 2 1 243.351 -0.192 20 0 BBADMP COC[C@@H](C(N)=O)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000641805559 362763097 /nfs/dbraw/zinc/76/30/97/362763097.db2.gz NTTRTUPTYPSJHF-QWRGUYRKSA-N 2 1 243.351 -0.192 20 0 BBADMP COC[C@@H](C(N)=O)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000641806002 362764652 /nfs/dbraw/zinc/76/46/52/362764652.db2.gz PSEBZQRMZPJARJ-NSHDSACASA-N 2 1 243.351 -0.192 20 0 BBADMP C[NH2+]C[C@@](C)(O)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000641807725 362765880 /nfs/dbraw/zinc/76/58/80/362765880.db2.gz JSRLYXBVWAMRPG-GFCCVEGCSA-N 2 1 229.368 -0.017 20 0 BBADMP C[NH2+]C[C@](C)(O)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000641807726 362765692 /nfs/dbraw/zinc/76/56/92/362765692.db2.gz JSRLYXBVWAMRPG-LBPRGKRZSA-N 2 1 229.368 -0.017 20 0 BBADMP COC[C@@H](C(N)=O)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000641808027 362762705 /nfs/dbraw/zinc/76/27/05/362762705.db2.gz XHDLYXSAVLXZFY-UWVGGRQHSA-N 2 1 229.324 -0.582 20 0 BBADMP COC[C@@H](C(N)=O)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000641808165 362762906 /nfs/dbraw/zinc/76/29/06/362762906.db2.gz XHDLYXSAVLXZFY-ZJUUUORDSA-N 2 1 229.324 -0.582 20 0 BBADMP C[C@@H]1C[N@@H+](CCCS(N)(=O)=O)C[C@H]1C[NH3+] ZINC000641818017 362769066 /nfs/dbraw/zinc/76/90/66/362769066.db2.gz BWAKSFKROTWCCP-RKDXNWHRSA-N 2 1 235.353 -0.808 20 0 BBADMP C[N@@H+](CCOCC[NH3+])CCc1cn[nH]c1 ZINC000641821635 362772422 /nfs/dbraw/zinc/77/24/22/362772422.db2.gz NEKGWLLFSDDMLI-UHFFFAOYSA-N 2 1 212.297 -0.141 20 0 BBADMP Cn1cncc1CC[N@@H+](C)CCOCC[NH3+] ZINC000641823035 362772045 /nfs/dbraw/zinc/77/20/45/362772045.db2.gz PSECUTVUTRIHBI-UHFFFAOYSA-N 2 1 226.324 -0.130 20 0 BBADMP CN(c1cc[nH+]c(N2CCOCC2)n1)C1C[NH2+]C1 ZINC000643041829 385546237 /nfs/dbraw/zinc/54/62/37/385546237.db2.gz BTQWITMBXZVWMM-UHFFFAOYSA-N 2 1 249.318 -0.279 20 0 BBADMP [NH3+][C@@H]1C[C@@H]1C(=O)NCC[N@H+]1CCCOCC1 ZINC000643785660 384335619 /nfs/dbraw/zinc/33/56/19/384335619.db2.gz XGGYTDDZRBVGKC-VHSXEESVSA-N 2 1 227.308 -0.828 20 0 BBADMP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000643801059 385104185 /nfs/dbraw/zinc/10/41/85/385104185.db2.gz YQEVOQUKEMPNTD-QJPTWQEYSA-N 2 1 246.314 -0.098 20 0 BBADMP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000643801062 385103681 /nfs/dbraw/zinc/10/36/81/385103681.db2.gz YQEVOQUKEMPNTD-TUAOUCFPSA-N 2 1 246.314 -0.098 20 0 BBADMP COCC[N@@H+](C)CCC[NH2+]C[C@@H](C)O ZINC000644520868 384927236 /nfs/dbraw/zinc/92/72/36/384927236.db2.gz NRFRNXWEOQDOFQ-SNVBAGLBSA-N 2 1 204.314 -0.075 20 0 BBADMP COCC[N@@H+](C)CCC[NH2+]CCC(N)=O ZINC000644520905 384927399 /nfs/dbraw/zinc/92/73/99/384927399.db2.gz VDTRMECGZDHAOX-UHFFFAOYSA-N 2 1 217.313 -0.580 20 0 BBADMP C[C@@H](O)C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000644539408 397837640 /nfs/dbraw/zinc/83/76/40/397837640.db2.gz IBBVMEXOPBUMKW-GHMZBOCLSA-N 2 1 243.351 -0.456 20 0 BBADMP C[C@@H](O)C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000644539415 397837689 /nfs/dbraw/zinc/83/76/89/397837689.db2.gz IBBVMEXOPBUMKW-MNOVXSKESA-N 2 1 243.351 -0.456 20 0 BBADMP C[C@@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000644563323 384968887 /nfs/dbraw/zinc/96/88/87/384968887.db2.gz FUXUTRSCYSQAGY-SNVBAGLBSA-N 2 1 229.324 -0.879 20 0 BBADMP CC[C@@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000644563583 384970556 /nfs/dbraw/zinc/97/05/56/384970556.db2.gz YXLWKDLMJGFDCI-LLVKDONJSA-N 2 1 243.351 -0.489 20 0 BBADMP C[C@@H](O)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000644639734 385042756 /nfs/dbraw/zinc/04/27/56/385042756.db2.gz UNHQQQCVJVMNCF-LLVKDONJSA-N 2 1 229.368 -0.017 20 0 BBADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)COCC[NH3+] ZINC000645506363 387308788 /nfs/dbraw/zinc/30/87/88/387308788.db2.gz MNWMROLZEMKFQP-LLVKDONJSA-N 2 1 243.351 -0.048 20 0 BBADMP C[C@H]1CCCC[N@H+]1CCNC(=O)COCC[NH3+] ZINC000645506364 387310236 /nfs/dbraw/zinc/31/02/36/387310236.db2.gz MNWMROLZEMKFQP-NSHDSACASA-N 2 1 243.351 -0.048 20 0 BBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)COCC[NH3+])C1 ZINC000645506592 387330432 /nfs/dbraw/zinc/33/04/32/387330432.db2.gz ZLRVNXNIKNFLJE-LLVKDONJSA-N 2 1 243.351 -0.190 20 0 BBADMP C[C@H]1CCC[N@@H+](CCNC(=O)COCC[NH3+])C1 ZINC000645506593 387330372 /nfs/dbraw/zinc/33/03/72/387330372.db2.gz ZLRVNXNIKNFLJE-NSHDSACASA-N 2 1 243.351 -0.190 20 0 BBADMP Cc1[nH+]ccn1CCCNC(=O)COCC[NH3+] ZINC000645629645 387911458 /nfs/dbraw/zinc/91/14/58/387911458.db2.gz ZUGAIDAWBLLQOC-UHFFFAOYSA-N 2 1 240.307 -0.327 20 0 BBADMP C[N@H+]1CCC[C@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000645685287 387269921 /nfs/dbraw/zinc/26/99/21/387269921.db2.gz ZGACAXNRRGRYCC-JTQLQIEISA-N 2 1 241.335 -0.425 20 0 BBADMP C[N@H+]1CCC[C@@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000645685288 387270820 /nfs/dbraw/zinc/27/08/20/387270820.db2.gz ZGACAXNRRGRYCC-SNVBAGLBSA-N 2 1 241.335 -0.425 20 0 BBADMP CC(C)NC(=O)NCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000645780074 387904536 /nfs/dbraw/zinc/90/45/36/387904536.db2.gz PNJDXFZOBUVHHB-GHMZBOCLSA-N 2 1 240.351 -0.155 20 0 BBADMP CC(C)NC(=O)NCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000645780075 387904489 /nfs/dbraw/zinc/90/44/89/387904489.db2.gz PNJDXFZOBUVHHB-PHIMTYICSA-N 2 1 240.351 -0.155 20 0 BBADMP CC(C)NC(=O)NCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000645780075 387904486 /nfs/dbraw/zinc/90/44/86/387904486.db2.gz PNJDXFZOBUVHHB-PHIMTYICSA-N 2 1 240.351 -0.155 20 0 BBADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000645780076 387905202 /nfs/dbraw/zinc/90/52/02/387905202.db2.gz PNJDXFZOBUVHHB-QWRGUYRKSA-N 2 1 240.351 -0.155 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645885291 387979948 /nfs/dbraw/zinc/97/99/48/387979948.db2.gz KMTZNFUPCVJOKY-JTQLQIEISA-N 2 1 243.351 -0.321 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645885292 387981029 /nfs/dbraw/zinc/98/10/29/387981029.db2.gz KMTZNFUPCVJOKY-SNVBAGLBSA-N 2 1 243.351 -0.321 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)CC(C)(C)[NH3+])C1 ZINC000645951633 487862644 /nfs/dbraw/zinc/86/26/44/487862644.db2.gz NNAQCYXZHPMHHB-JTQLQIEISA-N 2 1 243.351 -0.049 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC(=O)CC(C)(C)[NH3+])C1 ZINC000645951634 388265288 /nfs/dbraw/zinc/26/52/88/388265288.db2.gz NNAQCYXZHPMHHB-SNVBAGLBSA-N 2 1 243.351 -0.049 20 0 BBADMP COC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953087 388268691 /nfs/dbraw/zinc/26/86/91/388268691.db2.gz AHIXRSKKSGAGGL-MNOVXSKESA-N 2 1 241.335 -0.439 20 0 BBADMP COC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953088 388268391 /nfs/dbraw/zinc/26/83/91/388268391.db2.gz AHIXRSKKSGAGGL-QWRGUYRKSA-N 2 1 241.335 -0.439 20 0 BBADMP [NH3+]CCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953159 398009512 /nfs/dbraw/zinc/00/95/12/398009512.db2.gz FPDXVJATGAUWGV-JTQLQIEISA-N 2 1 211.309 -0.064 20 0 BBADMP [NH3+]CCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953160 398009749 /nfs/dbraw/zinc/00/97/49/398009749.db2.gz FPDXVJATGAUWGV-SNVBAGLBSA-N 2 1 211.309 -0.064 20 0 BBADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CC[NH2+]1 ZINC000645953244 388269490 /nfs/dbraw/zinc/26/94/90/388269490.db2.gz KZEUDJPIGJNJOZ-GHMZBOCLSA-N 2 1 223.320 -0.051 20 0 BBADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CC[NH2+]1 ZINC000645953245 388269269 /nfs/dbraw/zinc/26/92/69/388269269.db2.gz KZEUDJPIGJNJOZ-WDEREUQCSA-N 2 1 223.320 -0.051 20 0 BBADMP [NH3+]CCOCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953470 388269077 /nfs/dbraw/zinc/26/90/77/388269077.db2.gz VBTSTMYNKYJSRS-LLVKDONJSA-N 2 1 241.335 -0.438 20 0 BBADMP [NH3+]CCOCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953471 388269725 /nfs/dbraw/zinc/26/97/25/388269725.db2.gz VBTSTMYNKYJSRS-NSHDSACASA-N 2 1 241.335 -0.438 20 0 BBADMP C[N@@H+](C[C@H](O)CN1CC(C)(C(N)=O)C1)C1CC1 ZINC000645958885 388088406 /nfs/dbraw/zinc/08/84/06/388088406.db2.gz GVNQMXRZXUDZSW-JTQLQIEISA-N 2 1 241.335 -0.751 20 0 BBADMP C[N@@H+](C[C@@H](O)CN1CC(C)(C(N)=O)C1)C1CC1 ZINC000645958886 388089274 /nfs/dbraw/zinc/08/92/74/388089274.db2.gz GVNQMXRZXUDZSW-SNVBAGLBSA-N 2 1 241.335 -0.751 20 0 BBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)COCC[NH3+] ZINC000645964462 398016009 /nfs/dbraw/zinc/01/60/09/398016009.db2.gz WSBIVJZXNQLXSE-LLVKDONJSA-N 2 1 243.351 -0.048 20 0 BBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)COCC[NH3+] ZINC000645964463 398015741 /nfs/dbraw/zinc/01/57/41/398015741.db2.gz WSBIVJZXNQLXSE-NSHDSACASA-N 2 1 243.351 -0.048 20 0 BBADMP CCCC[N@@H+](C)CCNC(=O)COCC[NH3+] ZINC000645977123 388113296 /nfs/dbraw/zinc/11/32/96/388113296.db2.gz YYGFUIANTDIGNF-UHFFFAOYSA-N 2 1 231.340 -0.190 20 0 BBADMP CO[C@@H]1COC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000646044592 388130614 /nfs/dbraw/zinc/13/06/14/388130614.db2.gz YTQWIFMXICOSBG-GHMZBOCLSA-N 2 1 225.292 -0.034 20 0 BBADMP C[C@@H]1C[C@H](N(C)C(=O)COCC[NH3+])CC[N@H+]1C ZINC000646068938 388136183 /nfs/dbraw/zinc/13/61/83/388136183.db2.gz CBOOJEISVAIXES-GHMZBOCLSA-N 2 1 243.351 -0.097 20 0 BBADMP C[C@@H]1C[C@@H](N(C)C(=O)COCC[NH3+])CC[N@H+]1C ZINC000646068939 388136323 /nfs/dbraw/zinc/13/63/23/388136323.db2.gz CBOOJEISVAIXES-MNOVXSKESA-N 2 1 243.351 -0.097 20 0 BBADMP C[C@H]1C[C@@H](N(C)C(=O)COCC[NH3+])CC[N@H+]1C ZINC000646068940 388136341 /nfs/dbraw/zinc/13/63/41/388136341.db2.gz CBOOJEISVAIXES-QWRGUYRKSA-N 2 1 243.351 -0.097 20 0 BBADMP C[C@H]1C[C@H](N(C)C(=O)COCC[NH3+])CC[N@H+]1C ZINC000646068941 388136230 /nfs/dbraw/zinc/13/62/30/388136230.db2.gz CBOOJEISVAIXES-WDEREUQCSA-N 2 1 243.351 -0.097 20 0 BBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)COCC[NH3+] ZINC000646070682 388136945 /nfs/dbraw/zinc/13/69/45/388136945.db2.gz HUIBULVSTADUEA-GHMZBOCLSA-N 2 1 243.351 -0.240 20 0 BBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)COCC[NH3+] ZINC000646070683 388136759 /nfs/dbraw/zinc/13/67/59/388136759.db2.gz HUIBULVSTADUEA-MNOVXSKESA-N 2 1 243.351 -0.240 20 0 BBADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)COCC[NH3+] ZINC000646070684 388136797 /nfs/dbraw/zinc/13/67/97/388136797.db2.gz HUIBULVSTADUEA-QWRGUYRKSA-N 2 1 243.351 -0.240 20 0 BBADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)COCC[NH3+] ZINC000646070685 388136955 /nfs/dbraw/zinc/13/69/55/388136955.db2.gz HUIBULVSTADUEA-WDEREUQCSA-N 2 1 243.351 -0.240 20 0 BBADMP C[NH+]1CCC2(CC1)C[N@@H+](CCO)CCO2 ZINC000646104306 388143329 /nfs/dbraw/zinc/14/33/29/388143329.db2.gz JKOVLSXYPJNOBI-UHFFFAOYSA-N 2 1 214.309 -0.225 20 0 BBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)COCC[NH3+])C1 ZINC000646125604 388148117 /nfs/dbraw/zinc/14/81/17/388148117.db2.gz QFBYPYBRUGWCHN-LLVKDONJSA-N 2 1 243.351 -0.238 20 0 BBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)COCC[NH3+])C1 ZINC000646125605 388148492 /nfs/dbraw/zinc/14/84/92/388148492.db2.gz QFBYPYBRUGWCHN-NSHDSACASA-N 2 1 243.351 -0.238 20 0 BBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)COCC[NH3+] ZINC000646222378 388168235 /nfs/dbraw/zinc/16/82/35/388168235.db2.gz DRNQNODDCVBFRX-GXSJLCMTSA-N 2 1 241.335 -0.439 20 0 BBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)COCC[NH3+] ZINC000646222379 388168034 /nfs/dbraw/zinc/16/80/34/388168034.db2.gz DRNQNODDCVBFRX-KOLCDFICSA-N 2 1 241.335 -0.439 20 0 BBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)COCC[NH3+] ZINC000646222380 388168190 /nfs/dbraw/zinc/16/81/90/388168190.db2.gz DRNQNODDCVBFRX-MWLCHTKSSA-N 2 1 241.335 -0.439 20 0 BBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)COCC[NH3+] ZINC000646222382 388168304 /nfs/dbraw/zinc/16/83/04/388168304.db2.gz DRNQNODDCVBFRX-ONGXEEELSA-N 2 1 241.335 -0.439 20 0 BBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)COCC[NH3+])[C@@H]2C1 ZINC000646297358 388178195 /nfs/dbraw/zinc/17/81/95/388178195.db2.gz CTPWEAPTTPXIFX-GHMZBOCLSA-N 2 1 241.335 -0.486 20 0 BBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)COCC[NH3+])[C@H]2C1 ZINC000646297359 388178291 /nfs/dbraw/zinc/17/82/91/388178291.db2.gz CTPWEAPTTPXIFX-MNOVXSKESA-N 2 1 241.335 -0.486 20 0 BBADMP C[N@H+]1CC[C@H]2CCN(C(=O)COCC[NH3+])[C@H]2C1 ZINC000646297360 388178301 /nfs/dbraw/zinc/17/83/01/388178301.db2.gz CTPWEAPTTPXIFX-QWRGUYRKSA-N 2 1 241.335 -0.486 20 0 BBADMP C[N@H+]1CC[C@H]2CCN(C(=O)COCC[NH3+])[C@@H]2C1 ZINC000646297361 388178448 /nfs/dbraw/zinc/17/84/48/388178448.db2.gz CTPWEAPTTPXIFX-WDEREUQCSA-N 2 1 241.335 -0.486 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000646297688 388178137 /nfs/dbraw/zinc/17/81/37/388178137.db2.gz ZBUHYLRJVCBEHP-GARJFASQSA-N 2 1 241.335 -0.487 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000646297689 388178330 /nfs/dbraw/zinc/17/83/30/388178330.db2.gz ZBUHYLRJVCBEHP-GMTAPVOTSA-N 2 1 241.335 -0.487 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000646297690 388178278 /nfs/dbraw/zinc/17/82/78/388178278.db2.gz ZBUHYLRJVCBEHP-HBNTYKKESA-N 2 1 241.335 -0.487 20 0 BBADMP CO[C@H](C[NH3+])C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000646297691 388177988 /nfs/dbraw/zinc/17/79/88/388177988.db2.gz ZBUHYLRJVCBEHP-OUAUKWLOSA-N 2 1 241.335 -0.487 20 0 BBADMP CN(C(=O)COCC[NH3+])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000646430686 388358074 /nfs/dbraw/zinc/35/80/74/388358074.db2.gz BHXSZPKEYYOUIX-LLVKDONJSA-N 2 1 241.335 -0.343 20 0 BBADMP CN(C(=O)COCC[NH3+])[C@H]1CC[N@H+](C2CC2)C1 ZINC000646430687 388358183 /nfs/dbraw/zinc/35/81/83/388358183.db2.gz BHXSZPKEYYOUIX-NSHDSACASA-N 2 1 241.335 -0.343 20 0 BBADMP CC(C)([NH3+])CC(=O)NCC[N@H+]1CCCOCC1 ZINC000646503536 388370358 /nfs/dbraw/zinc/37/03/58/388370358.db2.gz IRCFQGPLJZKGDH-UHFFFAOYSA-N 2 1 243.351 -0.048 20 0 BBADMP O=C(NCC[N@H+]1CCCOCC1)[C@H]1CC[NH2+]1 ZINC000646503685 388369876 /nfs/dbraw/zinc/36/98/76/388369876.db2.gz MJXUHNHSSCWTDI-SNVBAGLBSA-N 2 1 227.308 -0.813 20 0 BBADMP O=C(NCC[N@@H+]1CCCOCC1)[C@H]1CC[NH2+]1 ZINC000646503685 388369872 /nfs/dbraw/zinc/36/98/72/388369872.db2.gz MJXUHNHSSCWTDI-SNVBAGLBSA-N 2 1 227.308 -0.813 20 0 BBADMP CC(C)(C[NH3+])C(=O)NCC[N@H+]1CCCOCC1 ZINC000646503964 388370391 /nfs/dbraw/zinc/37/03/91/388370391.db2.gz TWDJYYNULMCHGG-UHFFFAOYSA-N 2 1 243.351 -0.190 20 0 BBADMP C[C@@H]([NH3+])CC(=O)NCC[N@H+]1CCCOCC1 ZINC000646504181 388370012 /nfs/dbraw/zinc/37/00/12/388370012.db2.gz XQZXRRCDTCIACG-SNVBAGLBSA-N 2 1 229.324 -0.438 20 0 BBADMP O=C(NCC[N@H+]1CCCOCC1)[C@H]1CCC[NH2+]1 ZINC000646505569 388370279 /nfs/dbraw/zinc/37/02/79/388370279.db2.gz VJXUIDLIRMIAID-LLVKDONJSA-N 2 1 241.335 -0.423 20 0 BBADMP O=C(NCC[N@@H+]1CCCOCC1)[C@H]1CCC[NH2+]1 ZINC000646505569 388370278 /nfs/dbraw/zinc/37/02/78/388370278.db2.gz VJXUIDLIRMIAID-LLVKDONJSA-N 2 1 241.335 -0.423 20 0 BBADMP CN(CC[N@@H+](C)C1CC1)C(=O)COCC[NH3+] ZINC000646523191 388375361 /nfs/dbraw/zinc/37/53/61/388375361.db2.gz KDZVCBCNDJJISJ-UHFFFAOYSA-N 2 1 229.324 -0.486 20 0 BBADMP C[C@@H]1C[C@@H](NC(=O)COCC[NH3+])C[N@H+]1C1CC1 ZINC000646530084 388377385 /nfs/dbraw/zinc/37/73/85/388377385.db2.gz VQDCZGBOMNVIOA-NXEZZACHSA-N 2 1 241.335 -0.297 20 0 BBADMP C[C@H]1C[C@H](NC(=O)COCC[NH3+])C[N@H+]1C1CC1 ZINC000646530085 388377150 /nfs/dbraw/zinc/37/71/50/388377150.db2.gz VQDCZGBOMNVIOA-UWVGGRQHSA-N 2 1 241.335 -0.297 20 0 BBADMP C[C@H]1C[C@@H](NC(=O)COCC[NH3+])C[N@H+]1C1CC1 ZINC000646530086 388377401 /nfs/dbraw/zinc/37/74/01/388377401.db2.gz VQDCZGBOMNVIOA-VHSXEESVSA-N 2 1 241.335 -0.297 20 0 BBADMP C[C@@H]1C[C@H](NC(=O)COCC[NH3+])C[N@H+]1C1CC1 ZINC000646530087 388377599 /nfs/dbraw/zinc/37/75/99/388377599.db2.gz VQDCZGBOMNVIOA-ZJUUUORDSA-N 2 1 241.335 -0.297 20 0 BBADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000646846598 388624170 /nfs/dbraw/zinc/62/41/70/388624170.db2.gz UAOUYYMMWVQZHH-GHMZBOCLSA-N 2 1 243.351 -0.097 20 0 BBADMP CCC[N@@H+](C)CC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000646846599 388624182 /nfs/dbraw/zinc/62/41/82/388624182.db2.gz UAOUYYMMWVQZHH-MNOVXSKESA-N 2 1 243.351 -0.097 20 0 BBADMP CCC[N@@H+](C)CC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646846600 388623898 /nfs/dbraw/zinc/62/38/98/388623898.db2.gz UAOUYYMMWVQZHH-QWRGUYRKSA-N 2 1 243.351 -0.097 20 0 BBADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000646846601 388624381 /nfs/dbraw/zinc/62/43/81/388624381.db2.gz UAOUYYMMWVQZHH-WDEREUQCSA-N 2 1 243.351 -0.097 20 0 BBADMP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000646848121 388624161 /nfs/dbraw/zinc/62/41/61/388624161.db2.gz KVXMQJKNDOOFPC-GHMZBOCLSA-N 2 1 243.351 -0.099 20 0 BBADMP CC(C)[N@H+](C)CC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000646848122 388624515 /nfs/dbraw/zinc/62/45/15/388624515.db2.gz KVXMQJKNDOOFPC-MNOVXSKESA-N 2 1 243.351 -0.099 20 0 BBADMP CC(C)[N@H+](C)CC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646848123 388624472 /nfs/dbraw/zinc/62/44/72/388624472.db2.gz KVXMQJKNDOOFPC-QWRGUYRKSA-N 2 1 243.351 -0.099 20 0 BBADMP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000646848124 388625339 /nfs/dbraw/zinc/62/53/39/388625339.db2.gz KVXMQJKNDOOFPC-WDEREUQCSA-N 2 1 243.351 -0.099 20 0 BBADMP C[NH+](C)CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000646911633 385061072 /nfs/dbraw/zinc/06/10/72/385061072.db2.gz CKKLWGXBIBXZBR-NXEZZACHSA-N 2 1 211.309 -0.290 20 0 BBADMP C[NH+](C)CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000646911633 385061069 /nfs/dbraw/zinc/06/10/69/385061069.db2.gz CKKLWGXBIBXZBR-NXEZZACHSA-N 2 1 211.309 -0.290 20 0 BBADMP C[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000646911634 385060587 /nfs/dbraw/zinc/06/05/87/385060587.db2.gz CKKLWGXBIBXZBR-UWVGGRQHSA-N 2 1 211.309 -0.290 20 0 BBADMP C[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000646911634 385060582 /nfs/dbraw/zinc/06/05/82/385060582.db2.gz CKKLWGXBIBXZBR-UWVGGRQHSA-N 2 1 211.309 -0.290 20 0 BBADMP C[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000646911635 385062788 /nfs/dbraw/zinc/06/27/88/385062788.db2.gz CKKLWGXBIBXZBR-VHSXEESVSA-N 2 1 211.309 -0.290 20 0 BBADMP C[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000646911635 385062785 /nfs/dbraw/zinc/06/27/85/385062785.db2.gz CKKLWGXBIBXZBR-VHSXEESVSA-N 2 1 211.309 -0.290 20 0 BBADMP C[NH+](C)CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000646911636 385062253 /nfs/dbraw/zinc/06/22/53/385062253.db2.gz CKKLWGXBIBXZBR-ZJUUUORDSA-N 2 1 211.309 -0.290 20 0 BBADMP C[NH+](C)CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000646911636 385062248 /nfs/dbraw/zinc/06/22/48/385062248.db2.gz CKKLWGXBIBXZBR-ZJUUUORDSA-N 2 1 211.309 -0.290 20 0 BBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000646972900 385099989 /nfs/dbraw/zinc/09/99/89/385099989.db2.gz QTBYYIFSYABOQW-GHMZBOCLSA-N 2 1 241.335 -0.343 20 0 BBADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000646972901 385099729 /nfs/dbraw/zinc/09/97/29/385099729.db2.gz QTBYYIFSYABOQW-WDEREUQCSA-N 2 1 241.335 -0.343 20 0 BBADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000647054071 385195245 /nfs/dbraw/zinc/19/52/45/385195245.db2.gz NHQLEUQLICULGV-YTWAJWBKSA-N 2 1 223.320 -0.195 20 0 BBADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CC[NH2+]CC1(F)F ZINC000647054556 385192924 /nfs/dbraw/zinc/19/29/24/385192924.db2.gz QRGYBCQGRLEYJD-UYXSQOIJSA-N 2 1 245.273 -0.435 20 0 BBADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CC[NH2+]CC1(F)F ZINC000647054557 385192999 /nfs/dbraw/zinc/19/29/99/385192999.db2.gz QRGYBCQGRLEYJD-XAVMHZPKSA-N 2 1 245.273 -0.435 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CCC[NH3+])C1 ZINC000647063832 385207918 /nfs/dbraw/zinc/20/79/18/385207918.db2.gz VPFZGYVARZKGEE-GHMZBOCLSA-N 2 1 243.351 -0.049 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CCC[NH3+])C1 ZINC000647063832 385207909 /nfs/dbraw/zinc/20/79/09/385207909.db2.gz VPFZGYVARZKGEE-GHMZBOCLSA-N 2 1 243.351 -0.049 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)CCC[NH3+])C1 ZINC000647063833 385206760 /nfs/dbraw/zinc/20/67/60/385206760.db2.gz VPFZGYVARZKGEE-MNOVXSKESA-N 2 1 243.351 -0.049 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CCC[NH3+])C1 ZINC000647063833 385206757 /nfs/dbraw/zinc/20/67/57/385206757.db2.gz VPFZGYVARZKGEE-MNOVXSKESA-N 2 1 243.351 -0.049 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CCC[NH3+])C1 ZINC000647063834 385207755 /nfs/dbraw/zinc/20/77/55/385207755.db2.gz VPFZGYVARZKGEE-QWRGUYRKSA-N 2 1 243.351 -0.049 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CCC[NH3+])C1 ZINC000647063834 385207746 /nfs/dbraw/zinc/20/77/46/385207746.db2.gz VPFZGYVARZKGEE-QWRGUYRKSA-N 2 1 243.351 -0.049 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCC[NH3+])C1 ZINC000647063835 385205875 /nfs/dbraw/zinc/20/58/75/385205875.db2.gz VPFZGYVARZKGEE-WDEREUQCSA-N 2 1 243.351 -0.049 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCC[NH3+])C1 ZINC000647063835 385205868 /nfs/dbraw/zinc/20/58/68/385205868.db2.gz VPFZGYVARZKGEE-WDEREUQCSA-N 2 1 243.351 -0.049 20 0 BBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000647064784 385210220 /nfs/dbraw/zinc/21/02/20/385210220.db2.gz ACSVSOYHJUYYBJ-GXSJLCMTSA-N 2 1 245.298 -0.865 20 0 BBADMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000647064785 385210914 /nfs/dbraw/zinc/21/09/14/385210914.db2.gz ACSVSOYHJUYYBJ-ONGXEEELSA-N 2 1 245.298 -0.865 20 0 BBADMP C[C@]1(F)C[NH2+]CCN(C(=O)COCC[NH3+])C1 ZINC000647064864 385210148 /nfs/dbraw/zinc/21/01/48/385210148.db2.gz RABDTVPRIFRSJY-JTQLQIEISA-N 2 1 233.287 -0.878 20 0 BBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)COCC[NH3+])C1 ZINC000647064865 385208988 /nfs/dbraw/zinc/20/89/88/385208988.db2.gz RABDTVPRIFRSJY-SNVBAGLBSA-N 2 1 233.287 -0.878 20 0 BBADMP COCC[NH2+]CC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000647064880 385208879 /nfs/dbraw/zinc/20/88/79/385208879.db2.gz VDVVQCPPVICTOC-LLVKDONJSA-N 2 1 247.314 -0.618 20 0 BBADMP COCC[NH2+]CC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000647064881 385209552 /nfs/dbraw/zinc/20/95/52/385209552.db2.gz VDVVQCPPVICTOC-NSHDSACASA-N 2 1 247.314 -0.618 20 0 BBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000647086670 385251672 /nfs/dbraw/zinc/25/16/72/385251672.db2.gz VCEAQWVRELOLSA-GHMZBOCLSA-N 2 1 241.335 -0.425 20 0 BBADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000647086671 385251224 /nfs/dbraw/zinc/25/12/24/385251224.db2.gz VCEAQWVRELOLSA-WDEREUQCSA-N 2 1 241.335 -0.425 20 0 BBADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CO1 ZINC000647202044 384900810 /nfs/dbraw/zinc/90/08/10/384900810.db2.gz KFQCYRRHLUOFRG-GMTAPVOTSA-N 2 1 214.309 -0.180 20 0 BBADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)CO1 ZINC000647202044 384900807 /nfs/dbraw/zinc/90/08/07/384900807.db2.gz KFQCYRRHLUOFRG-GMTAPVOTSA-N 2 1 214.309 -0.180 20 0 BBADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CO1 ZINC000647202045 384901906 /nfs/dbraw/zinc/90/19/06/384901906.db2.gz KFQCYRRHLUOFRG-MXWKQRLJSA-N 2 1 214.309 -0.180 20 0 BBADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CO1 ZINC000647202045 384901900 /nfs/dbraw/zinc/90/19/00/384901900.db2.gz KFQCYRRHLUOFRG-MXWKQRLJSA-N 2 1 214.309 -0.180 20 0 BBADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CO1 ZINC000647202046 384902410 /nfs/dbraw/zinc/90/24/10/384902410.db2.gz KFQCYRRHLUOFRG-OUAUKWLOSA-N 2 1 214.309 -0.180 20 0 BBADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)CO1 ZINC000647202046 384902405 /nfs/dbraw/zinc/90/24/05/384902405.db2.gz KFQCYRRHLUOFRG-OUAUKWLOSA-N 2 1 214.309 -0.180 20 0 BBADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CO1 ZINC000647202047 384902892 /nfs/dbraw/zinc/90/28/92/384902892.db2.gz KFQCYRRHLUOFRG-VWYCJHECSA-N 2 1 214.309 -0.180 20 0 BBADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CO1 ZINC000647202047 384902885 /nfs/dbraw/zinc/90/28/85/384902885.db2.gz KFQCYRRHLUOFRG-VWYCJHECSA-N 2 1 214.309 -0.180 20 0 BBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@]1(C)CC[NH2+]C1 ZINC000647492523 385299078 /nfs/dbraw/zinc/29/90/78/385299078.db2.gz HOIRJDULBIZCJL-CYBMUJFWSA-N 3 1 240.395 -0.177 20 0 BBADMP C[N@H+](CCN1CC[NH2+]CC1)C[C@]1(C)CC[NH2+]C1 ZINC000647492523 385299070 /nfs/dbraw/zinc/29/90/70/385299070.db2.gz HOIRJDULBIZCJL-CYBMUJFWSA-N 3 1 240.395 -0.177 20 0 BBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000647492524 385300375 /nfs/dbraw/zinc/30/03/75/385300375.db2.gz HOIRJDULBIZCJL-ZDUSSCGKSA-N 3 1 240.395 -0.177 20 0 BBADMP C[N@H+](CCN1CC[NH2+]CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000647492524 385300371 /nfs/dbraw/zinc/30/03/71/385300371.db2.gz HOIRJDULBIZCJL-ZDUSSCGKSA-N 3 1 240.395 -0.177 20 0 BBADMP CN(CCC[NH3+])CCN1CC[NH2+]CC1 ZINC000647492647 385303097 /nfs/dbraw/zinc/30/30/97/385303097.db2.gz PUGGZXHGUIJXTB-UHFFFAOYSA-N 2 1 200.330 -0.828 20 0 BBADMP C[N@@H+](CCC[NH3+])CCN1CC[NH2+]CC1 ZINC000647492647 385303095 /nfs/dbraw/zinc/30/30/95/385303095.db2.gz PUGGZXHGUIJXTB-UHFFFAOYSA-N 3 1 200.330 -0.828 20 0 BBADMP CN(CCN1CC[NH2+]CC1)CC1(C[NH3+])CC1 ZINC000647492745 385300425 /nfs/dbraw/zinc/30/04/25/385300425.db2.gz WIWNLKQAMAYNAD-UHFFFAOYSA-N 2 1 226.368 -0.438 20 0 BBADMP C[N@@H+](CCN1CC[NH2+]CC1)CC1(C[NH3+])CC1 ZINC000647492745 385300422 /nfs/dbraw/zinc/30/04/22/385300422.db2.gz WIWNLKQAMAYNAD-UHFFFAOYSA-N 3 1 226.368 -0.438 20 0 BBADMP CN(CCN1CC[NH2+]CC1)C[C@@H]1CCC[NH2+]C1 ZINC000647493067 385309544 /nfs/dbraw/zinc/30/95/44/385309544.db2.gz SMCFMQORLYEWHI-CYBMUJFWSA-N 2 1 240.395 -0.177 20 0 BBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCC[NH2+]C1 ZINC000647493067 385309538 /nfs/dbraw/zinc/30/95/38/385309538.db2.gz SMCFMQORLYEWHI-CYBMUJFWSA-N 3 1 240.395 -0.177 20 0 BBADMP CN(CCN1CC[NH2+]CC1)C[C@H]1CCC[NH2+]C1 ZINC000647493068 385310024 /nfs/dbraw/zinc/31/00/24/385310024.db2.gz SMCFMQORLYEWHI-ZDUSSCGKSA-N 2 1 240.395 -0.177 20 0 BBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H]1CCC[NH2+]C1 ZINC000647493068 385310017 /nfs/dbraw/zinc/31/00/17/385310017.db2.gz SMCFMQORLYEWHI-ZDUSSCGKSA-N 3 1 240.395 -0.177 20 0 BBADMP C[N@@H+](CCN1CC[NH2+]CC1)CC1CC[NH2+]CC1 ZINC000647493254 385309593 /nfs/dbraw/zinc/30/95/93/385309593.db2.gz XOSFLUZPRRSBFY-UHFFFAOYSA-N 3 1 240.395 -0.177 20 0 BBADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(N)nc1 ZINC000647493276 411875709 /nfs/dbraw/zinc/87/57/09/411875709.db2.gz YXAASXNZHXIHSB-UHFFFAOYSA-N 2 1 249.362 0.001 20 0 BBADMP C[C@@H](O)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000647517783 384492231 /nfs/dbraw/zinc/49/22/31/384492231.db2.gz CQHWBAZGNDWPLY-SNVBAGLBSA-N 2 1 216.325 -0.196 20 0 BBADMP Cc1cn[nH]c1CN1CCN(C)C[C@@H]1C[NH3+] ZINC000647539460 384679598 /nfs/dbraw/zinc/67/95/98/384679598.db2.gz CCOCJDNZIFZTPS-JTQLQIEISA-N 2 1 223.324 -0.207 20 0 BBADMP Cc1cn[nH]c1CN1CCN(C)C[C@H]1C[NH3+] ZINC000647539461 384679048 /nfs/dbraw/zinc/67/90/48/384679048.db2.gz CCOCJDNZIFZTPS-SNVBAGLBSA-N 2 1 223.324 -0.207 20 0 BBADMP C[C@H]1CNC[C@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000647546488 384730944 /nfs/dbraw/zinc/73/09/44/384730944.db2.gz MKMFGGMJEAGXFT-CHWSQXEVSA-N 2 1 240.395 -0.131 20 0 BBADMP C[C@H]1CNC[C@@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000647546489 384729677 /nfs/dbraw/zinc/72/96/77/384729677.db2.gz MKMFGGMJEAGXFT-OLZOCXBDSA-N 2 1 240.395 -0.131 20 0 BBADMP C[C@@H]1CNC[C@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000647546490 384731728 /nfs/dbraw/zinc/73/17/28/384731728.db2.gz MKMFGGMJEAGXFT-QWHCGFSZSA-N 2 1 240.395 -0.131 20 0 BBADMP C[C@@H]1CNC[C@@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000647546491 384729441 /nfs/dbraw/zinc/72/94/41/384729441.db2.gz MKMFGGMJEAGXFT-STQMWFEESA-N 2 1 240.395 -0.131 20 0 BBADMP C([NH2+]C[C@H]1CNCCCO1)C1CC[NH2+]CC1 ZINC000647547779 384749990 /nfs/dbraw/zinc/74/99/90/384749990.db2.gz DMMXYRGKKJPSSJ-GFCCVEGCSA-N 2 1 227.352 -0.046 20 0 BBADMP C([NH2+]C[C@@H]1CNCCCO1)C1CC[NH2+]CC1 ZINC000647547780 384750975 /nfs/dbraw/zinc/75/09/75/384750975.db2.gz DMMXYRGKKJPSSJ-LBPRGKRZSA-N 2 1 227.352 -0.046 20 0 BBADMP CC(C)([NH3+])C[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000647549651 384747569 /nfs/dbraw/zinc/74/75/69/384747569.db2.gz LGEQIFINPOOLBK-SECBINFHSA-N 2 1 249.380 -0.263 20 0 BBADMP C[C@@H]1[C@H](C(=O)N2CC[NH2+]CC2)CC[N@H+]1C ZINC000647609540 384939617 /nfs/dbraw/zinc/93/96/17/384939617.db2.gz LXIKCSIHMDNVDQ-NXEZZACHSA-N 2 1 211.309 -0.242 20 0 BBADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000647611863 384942744 /nfs/dbraw/zinc/94/27/44/384942744.db2.gz SHOAEPRMZNAVKD-OPRDCNLKSA-N 2 1 211.309 -0.114 20 0 BBADMP C[NH+](C)CC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000647678022 385384102 /nfs/dbraw/zinc/38/41/02/385384102.db2.gz NLLCSKBJWKUICN-LLVKDONJSA-N 2 1 240.351 -0.946 20 0 BBADMP C[NH+](C)CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000647678023 385383458 /nfs/dbraw/zinc/38/34/58/385383458.db2.gz NLLCSKBJWKUICN-NSHDSACASA-N 2 1 240.351 -0.946 20 0 BBADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000647680497 385671748 /nfs/dbraw/zinc/67/17/48/385671748.db2.gz DWZUKVODTDLKKH-KXUCPTDWSA-N 2 1 211.309 -0.195 20 0 BBADMP C[NH+](C)CC(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000647707128 385583866 /nfs/dbraw/zinc/58/38/66/385583866.db2.gz WSGWNIHUTAZVKR-GHMZBOCLSA-N 2 1 241.335 -0.785 20 0 BBADMP C[NH+](C)CC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647707128 385583861 /nfs/dbraw/zinc/58/38/61/385583861.db2.gz WSGWNIHUTAZVKR-GHMZBOCLSA-N 2 1 241.335 -0.785 20 0 BBADMP C[NH+](C)CC(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000647707129 385584216 /nfs/dbraw/zinc/58/42/16/385584216.db2.gz WSGWNIHUTAZVKR-MNOVXSKESA-N 2 1 241.335 -0.785 20 0 BBADMP C[NH+](C)CC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647707129 385584215 /nfs/dbraw/zinc/58/42/15/385584215.db2.gz WSGWNIHUTAZVKR-MNOVXSKESA-N 2 1 241.335 -0.785 20 0 BBADMP C[NH+](C)CC(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000647707130 385584041 /nfs/dbraw/zinc/58/40/41/385584041.db2.gz WSGWNIHUTAZVKR-QWRGUYRKSA-N 2 1 241.335 -0.785 20 0 BBADMP C[NH+](C)CC(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647707130 385584040 /nfs/dbraw/zinc/58/40/40/385584040.db2.gz WSGWNIHUTAZVKR-QWRGUYRKSA-N 2 1 241.335 -0.785 20 0 BBADMP C[NH+](C)CC(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000647707131 385583674 /nfs/dbraw/zinc/58/36/74/385583674.db2.gz WSGWNIHUTAZVKR-WDEREUQCSA-N 2 1 241.335 -0.785 20 0 BBADMP C[NH+](C)CC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647707131 385583670 /nfs/dbraw/zinc/58/36/70/385583670.db2.gz WSGWNIHUTAZVKR-WDEREUQCSA-N 2 1 241.335 -0.785 20 0 BBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH3+])C2)CC[N@H+]1C ZINC000647731607 385852964 /nfs/dbraw/zinc/85/29/64/385852964.db2.gz SHOAEPRMZNAVKD-KXUCPTDWSA-N 2 1 211.309 -0.114 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000647760052 386457716 /nfs/dbraw/zinc/45/77/16/386457716.db2.gz SNUVNKRPTHOSMM-QWRGUYRKSA-N 2 1 243.351 -0.540 20 0 BBADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647792952 385698032 /nfs/dbraw/zinc/69/80/32/385698032.db2.gz GJUFILSSZDFPIB-FDYHWXHSSA-N 3 1 241.379 -0.113 20 0 BBADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647792953 385698503 /nfs/dbraw/zinc/69/85/03/385698503.db2.gz GJUFILSSZDFPIB-UMSGYPCISA-N 3 1 241.379 -0.113 20 0 BBADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647792954 385698814 /nfs/dbraw/zinc/69/88/14/385698814.db2.gz GJUFILSSZDFPIB-WUHRBBMRSA-N 3 1 241.379 -0.113 20 0 BBADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647792955 385697937 /nfs/dbraw/zinc/69/79/37/385697937.db2.gz GJUFILSSZDFPIB-YVECIDJPSA-N 3 1 241.379 -0.113 20 0 BBADMP [NH3+][C@@H]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000647809457 385860460 /nfs/dbraw/zinc/86/04/60/385860460.db2.gz SHMVAWFKIGVOCO-UTUOFQBUSA-N 2 1 225.336 -0.117 20 0 BBADMP [NH3+][C@@H]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000647809457 385860453 /nfs/dbraw/zinc/86/04/53/385860453.db2.gz SHMVAWFKIGVOCO-UTUOFQBUSA-N 2 1 225.336 -0.117 20 0 BBADMP C[C@H](c1nnnn1C)[NH+]1CCC(C[NH3+])CC1 ZINC000647812197 385863581 /nfs/dbraw/zinc/86/35/81/385863581.db2.gz KFOWSWKEWVRQNO-MRVPVSSYSA-N 2 1 224.312 -0.058 20 0 BBADMP C[C@@H](c1nnnn1C)[NH+]1CCC(C[NH3+])CC1 ZINC000647812198 385863539 /nfs/dbraw/zinc/86/35/39/385863539.db2.gz KFOWSWKEWVRQNO-QMMMGPOBSA-N 2 1 224.312 -0.058 20 0 BBADMP [NH3+]C[C@H]1CC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000647829780 385878543 /nfs/dbraw/zinc/87/85/43/385878543.db2.gz WIDVIJKXRLDRFA-LLVKDONJSA-N 2 1 240.351 -0.911 20 0 BBADMP [NH3+]C[C@H]1CC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000647829780 385878541 /nfs/dbraw/zinc/87/85/41/385878541.db2.gz WIDVIJKXRLDRFA-LLVKDONJSA-N 2 1 240.351 -0.911 20 0 BBADMP [NH3+]C[C@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000647829780 385878539 /nfs/dbraw/zinc/87/85/39/385878539.db2.gz WIDVIJKXRLDRFA-LLVKDONJSA-N 3 1 240.351 -0.911 20 0 BBADMP [NH3+]C[C@@H]1CC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000647829781 385878772 /nfs/dbraw/zinc/87/87/72/385878772.db2.gz WIDVIJKXRLDRFA-NSHDSACASA-N 2 1 240.351 -0.911 20 0 BBADMP [NH3+]C[C@@H]1CC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000647829781 385878768 /nfs/dbraw/zinc/87/87/68/385878768.db2.gz WIDVIJKXRLDRFA-NSHDSACASA-N 2 1 240.351 -0.911 20 0 BBADMP [NH3+]C[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000647829781 385878763 /nfs/dbraw/zinc/87/87/63/385878763.db2.gz WIDVIJKXRLDRFA-NSHDSACASA-N 3 1 240.351 -0.911 20 0 BBADMP C[C@@H]1CN(CC[N@H+]2CC[C@@H](C[NH3+])C2)CCO1 ZINC000647830230 385878241 /nfs/dbraw/zinc/87/82/41/385878241.db2.gz BEUGGBHMGNTSGK-NEPJUHHUSA-N 2 1 227.352 -0.012 20 0 BBADMP C[C@H]1CN(CC[N@H+]2CC[C@H](C[NH3+])C2)CCO1 ZINC000647830231 385878838 /nfs/dbraw/zinc/87/88/38/385878838.db2.gz BEUGGBHMGNTSGK-NWDGAFQWSA-N 2 1 227.352 -0.012 20 0 BBADMP C[C@H]1CN(CC[N@H+]2CC[C@@H](C[NH3+])C2)CCO1 ZINC000647830232 385878285 /nfs/dbraw/zinc/87/82/85/385878285.db2.gz BEUGGBHMGNTSGK-RYUDHWBXSA-N 2 1 227.352 -0.012 20 0 BBADMP C[C@@H]1CN(CC[N@H+]2CC[C@H](C[NH3+])C2)CCO1 ZINC000647830233 385878943 /nfs/dbraw/zinc/87/89/43/385878943.db2.gz BEUGGBHMGNTSGK-VXGBXAGGSA-N 2 1 227.352 -0.012 20 0 BBADMP C[C@H](C(=O)N(C)CCC[NH3+])N1CC[NH+](C)CC1 ZINC000647830250 385880410 /nfs/dbraw/zinc/88/04/10/385880410.db2.gz DAHNJBWXWIJFGW-LLVKDONJSA-N 2 1 242.367 -0.571 20 0 BBADMP C[C@@H](C(=O)N(C)CCC[NH3+])N1CC[NH+](C)CC1 ZINC000647830251 385879920 /nfs/dbraw/zinc/87/99/20/385879920.db2.gz DAHNJBWXWIJFGW-NSHDSACASA-N 2 1 242.367 -0.571 20 0 BBADMP CCS(=O)(=O)NCCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000647830259 385879966 /nfs/dbraw/zinc/87/99/66/385879966.db2.gz DQZYRVGQYZOWBJ-JTQLQIEISA-N 2 1 249.380 -0.404 20 0 BBADMP CCS(=O)(=O)NCCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000647830260 385879680 /nfs/dbraw/zinc/87/96/80/385879680.db2.gz DQZYRVGQYZOWBJ-SNVBAGLBSA-N 2 1 249.380 -0.404 20 0 BBADMP CN(CCN1CC[NH2+]CC1)C[C@@H]1CC[NH2+]C1 ZINC000647834775 385885136 /nfs/dbraw/zinc/88/51/36/385885136.db2.gz SCWBVBAFTBIYDK-GFCCVEGCSA-N 2 1 226.368 -0.567 20 0 BBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]1CC[NH2+]C1 ZINC000647834775 385885133 /nfs/dbraw/zinc/88/51/33/385885133.db2.gz SCWBVBAFTBIYDK-GFCCVEGCSA-N 3 1 226.368 -0.567 20 0 BBADMP CN(CCN1CC[NH2+]CC1)C[C@H]1CC[NH2+]C1 ZINC000647834776 385885604 /nfs/dbraw/zinc/88/56/04/385885604.db2.gz SCWBVBAFTBIYDK-LBPRGKRZSA-N 2 1 226.368 -0.567 20 0 BBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H]1CC[NH2+]C1 ZINC000647834776 385885602 /nfs/dbraw/zinc/88/56/02/385885602.db2.gz SCWBVBAFTBIYDK-LBPRGKRZSA-N 3 1 226.368 -0.567 20 0 BBADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)CCN1CC[NH2+]CC1 ZINC000647836205 385880825 /nfs/dbraw/zinc/88/08/25/385880825.db2.gz OQAURALRFBUCIE-CYBMUJFWSA-N 3 1 240.395 -0.177 20 0 BBADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)CCN1CC[NH2+]CC1 ZINC000647836206 385879700 /nfs/dbraw/zinc/87/97/00/385879700.db2.gz OQAURALRFBUCIE-ZDUSSCGKSA-N 3 1 240.395 -0.177 20 0 BBADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccnc(N)c1 ZINC000647836210 411874765 /nfs/dbraw/zinc/87/47/65/411874765.db2.gz PEAAAQYQOALHSF-UHFFFAOYSA-N 2 1 249.362 0.001 20 0 BBADMP C[C@@H]([NH3+])[C@@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000647845799 385886770 /nfs/dbraw/zinc/88/67/70/385886770.db2.gz PGUDTFKOQOMNKA-CHWSQXEVSA-N 2 1 240.395 -0.049 20 0 BBADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000647845799 385886767 /nfs/dbraw/zinc/88/67/67/385886767.db2.gz PGUDTFKOQOMNKA-CHWSQXEVSA-N 3 1 240.395 -0.049 20 0 BBADMP C[C@@H]([NH3+])[C@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000647845800 385887904 /nfs/dbraw/zinc/88/79/04/385887904.db2.gz PGUDTFKOQOMNKA-OLZOCXBDSA-N 2 1 240.395 -0.049 20 0 BBADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000647845800 385887900 /nfs/dbraw/zinc/88/79/00/385887900.db2.gz PGUDTFKOQOMNKA-OLZOCXBDSA-N 3 1 240.395 -0.049 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000647845801 385887764 /nfs/dbraw/zinc/88/77/64/385887764.db2.gz PGUDTFKOQOMNKA-QWHCGFSZSA-N 2 1 240.395 -0.049 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000647845801 385887762 /nfs/dbraw/zinc/88/77/62/385887762.db2.gz PGUDTFKOQOMNKA-QWHCGFSZSA-N 3 1 240.395 -0.049 20 0 BBADMP C[C@H]([NH3+])[C@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000647845802 385887365 /nfs/dbraw/zinc/88/73/65/385887365.db2.gz PGUDTFKOQOMNKA-STQMWFEESA-N 2 1 240.395 -0.049 20 0 BBADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000647845802 385887359 /nfs/dbraw/zinc/88/73/59/385887359.db2.gz PGUDTFKOQOMNKA-STQMWFEESA-N 3 1 240.395 -0.049 20 0 BBADMP C[N@@H+](CCC[NH3+])CCC(=O)N1CCNCC1 ZINC000647847218 385897544 /nfs/dbraw/zinc/89/75/44/385897544.db2.gz HSZAHQNGWJZEBI-UHFFFAOYSA-N 2 1 228.340 -0.911 20 0 BBADMP C[N@H+](CCC[NH3+])CCC(=O)N1CCNCC1 ZINC000647847218 385897542 /nfs/dbraw/zinc/89/75/42/385897542.db2.gz HSZAHQNGWJZEBI-UHFFFAOYSA-N 2 1 228.340 -0.911 20 0 BBADMP C[N@@H+](CCC[NH3+])CCC(=O)N1CC[NH2+]CC1 ZINC000647847218 385897540 /nfs/dbraw/zinc/89/75/40/385897540.db2.gz HSZAHQNGWJZEBI-UHFFFAOYSA-N 3 1 228.340 -0.911 20 0 BBADMP C[C@@H]1CN(CC[N@@H+](C)CCC[NH3+])CCO1 ZINC000647847342 385896660 /nfs/dbraw/zinc/89/66/60/385896660.db2.gz KHAVTBQZGLNWEE-LLVKDONJSA-N 2 1 215.341 -0.012 20 0 BBADMP C[C@H]1CN(CC[N@@H+](C)CCC[NH3+])CCO1 ZINC000647847343 385897177 /nfs/dbraw/zinc/89/71/77/385897177.db2.gz KHAVTBQZGLNWEE-NSHDSACASA-N 2 1 215.341 -0.012 20 0 BBADMP C[N@@H+](CCC[NH3+])CCC(=O)N1CC[NH+](C)CC1 ZINC000647847375 385897104 /nfs/dbraw/zinc/89/71/04/385897104.db2.gz NGAQLRMTBSUFMT-UHFFFAOYSA-N 3 1 242.367 -0.569 20 0 BBADMP C[N@H+](CCC[NH3+])CCC(=O)N1CC[NH+](C)CC1 ZINC000647847375 385897102 /nfs/dbraw/zinc/89/71/02/385897102.db2.gz NGAQLRMTBSUFMT-UHFFFAOYSA-N 3 1 242.367 -0.569 20 0 BBADMP CN1CCN(C(=O)CC[N@@H+](C)CCC[NH3+])CC1 ZINC000647847375 385897099 /nfs/dbraw/zinc/89/70/99/385897099.db2.gz NGAQLRMTBSUFMT-UHFFFAOYSA-N 2 1 242.367 -0.569 20 0 BBADMP CCS(=O)(=O)NCCC[N@@H+](C)CCC[NH3+] ZINC000647847542 385898226 /nfs/dbraw/zinc/89/82/26/385898226.db2.gz SLGAXHGPIUPMAW-UHFFFAOYSA-N 2 1 237.369 -0.404 20 0 BBADMP C[N@@H+](CCC[NH3+])CCC(=O)N1CCOCC1 ZINC000647848327 385899494 /nfs/dbraw/zinc/89/94/94/385899494.db2.gz MRNCECOPWAVXGM-UHFFFAOYSA-N 2 1 229.324 -0.484 20 0 BBADMP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+](C)CCC[NH3+] ZINC000647849125 385900956 /nfs/dbraw/zinc/90/09/56/385900956.db2.gz IMORLOZNAFJKIL-GHMZBOCLSA-N 2 1 243.351 -0.049 20 0 BBADMP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)CCC[NH3+] ZINC000647849125 385900953 /nfs/dbraw/zinc/90/09/53/385900953.db2.gz IMORLOZNAFJKIL-GHMZBOCLSA-N 2 1 243.351 -0.049 20 0 BBADMP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)CCC[NH3+] ZINC000647849126 385900617 /nfs/dbraw/zinc/90/06/17/385900617.db2.gz IMORLOZNAFJKIL-MNOVXSKESA-N 2 1 243.351 -0.049 20 0 BBADMP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)CCC[NH3+] ZINC000647849126 385900614 /nfs/dbraw/zinc/90/06/14/385900614.db2.gz IMORLOZNAFJKIL-MNOVXSKESA-N 2 1 243.351 -0.049 20 0 BBADMP C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)CCC[NH3+] ZINC000647849127 385901102 /nfs/dbraw/zinc/90/11/02/385901102.db2.gz IMORLOZNAFJKIL-QWRGUYRKSA-N 2 1 243.351 -0.049 20 0 BBADMP C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)CCC[NH3+] ZINC000647849127 385901099 /nfs/dbraw/zinc/90/10/99/385901099.db2.gz IMORLOZNAFJKIL-QWRGUYRKSA-N 2 1 243.351 -0.049 20 0 BBADMP C[C@@H](C(=O)NC[C@H]1CCCO1)[N@@H+](C)CCC[NH3+] ZINC000647849128 385900809 /nfs/dbraw/zinc/90/08/09/385900809.db2.gz IMORLOZNAFJKIL-WDEREUQCSA-N 2 1 243.351 -0.049 20 0 BBADMP C[C@@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)CCC[NH3+] ZINC000647849128 385900805 /nfs/dbraw/zinc/90/08/05/385900805.db2.gz IMORLOZNAFJKIL-WDEREUQCSA-N 2 1 243.351 -0.049 20 0 BBADMP OCCC[N@@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000647884902 397925642 /nfs/dbraw/zinc/92/56/42/397925642.db2.gz IHNIDCMHWXSPSR-UHFFFAOYSA-N 2 1 227.352 -0.262 20 0 BBADMP C[N@@H+](CCOCC[NH3+])CCN1CCCC1=O ZINC000647885713 386279051 /nfs/dbraw/zinc/27/90/51/386279051.db2.gz IRFJCOOUSYUBDW-UHFFFAOYSA-N 2 1 229.324 -0.484 20 0 BBADMP O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2C[C@H]1CC[NH2+]C1 ZINC000647889456 386359651 /nfs/dbraw/zinc/35/96/51/386359651.db2.gz SLEWJOCFFFIYBH-AXFHLTTASA-N 2 1 223.320 -0.051 20 0 BBADMP O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2C[C@@H]1CC[NH2+]C1 ZINC000647889457 386360153 /nfs/dbraw/zinc/36/01/53/386360153.db2.gz SLEWJOCFFFIYBH-MXWKQRLJSA-N 2 1 223.320 -0.051 20 0 BBADMP [NH3+]CCOCC[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000647891589 386393920 /nfs/dbraw/zinc/39/39/20/386393920.db2.gz UWDUGTOSOLWYJJ-NEPJUHHUSA-N 2 1 244.335 -0.159 20 0 BBADMP [NH3+]CCOCC[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000647891589 386393917 /nfs/dbraw/zinc/39/39/17/386393917.db2.gz UWDUGTOSOLWYJJ-NEPJUHHUSA-N 2 1 244.335 -0.159 20 0 BBADMP [NH3+]CCOCC[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000647891590 386393329 /nfs/dbraw/zinc/39/33/29/386393329.db2.gz UWDUGTOSOLWYJJ-NWDGAFQWSA-N 2 1 244.335 -0.159 20 0 BBADMP [NH3+]CCOCC[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000647891590 386393325 /nfs/dbraw/zinc/39/33/25/386393325.db2.gz UWDUGTOSOLWYJJ-NWDGAFQWSA-N 2 1 244.335 -0.159 20 0 BBADMP [NH3+]CCOCC[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000647891591 386393252 /nfs/dbraw/zinc/39/32/52/386393252.db2.gz UWDUGTOSOLWYJJ-RYUDHWBXSA-N 2 1 244.335 -0.159 20 0 BBADMP [NH3+]CCOCC[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000647891591 386393248 /nfs/dbraw/zinc/39/32/48/386393248.db2.gz UWDUGTOSOLWYJJ-RYUDHWBXSA-N 2 1 244.335 -0.159 20 0 BBADMP [NH3+]CCOCC[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000647891592 386394375 /nfs/dbraw/zinc/39/43/75/386394375.db2.gz UWDUGTOSOLWYJJ-VXGBXAGGSA-N 2 1 244.335 -0.159 20 0 BBADMP [NH3+]CCOCC[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000647891592 386394372 /nfs/dbraw/zinc/39/43/72/386394372.db2.gz UWDUGTOSOLWYJJ-VXGBXAGGSA-N 2 1 244.335 -0.159 20 0 BBADMP [NH3+]CCN(CCO)CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000647908689 386777305 /nfs/dbraw/zinc/77/73/05/386777305.db2.gz RTGZNKXWNLXCKB-TXEJJXNPSA-N 2 1 243.351 -0.897 20 0 BBADMP [NH3+]CCN(CCO)CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000647908689 386777297 /nfs/dbraw/zinc/77/72/97/386777297.db2.gz RTGZNKXWNLXCKB-TXEJJXNPSA-N 2 1 243.351 -0.897 20 0 BBADMP C[C@@H]1C[N@@H+](CCN2CCO[C@@H](C[NH3+])C2)CCO1 ZINC000647909278 385616147 /nfs/dbraw/zinc/61/61/47/385616147.db2.gz QWURWJFCMFCSFR-NEPJUHHUSA-N 2 1 243.351 -0.633 20 0 BBADMP C[C@@H]1C[N@H+](CCN2CCO[C@@H](C[NH3+])C2)CCO1 ZINC000647909278 385616145 /nfs/dbraw/zinc/61/61/45/385616145.db2.gz QWURWJFCMFCSFR-NEPJUHHUSA-N 2 1 243.351 -0.633 20 0 BBADMP C[C@H]1C[N@@H+](CCN2CCO[C@H](C[NH3+])C2)CCO1 ZINC000647909279 385615387 /nfs/dbraw/zinc/61/53/87/385615387.db2.gz QWURWJFCMFCSFR-NWDGAFQWSA-N 2 1 243.351 -0.633 20 0 BBADMP C[C@H]1C[N@H+](CCN2CCO[C@H](C[NH3+])C2)CCO1 ZINC000647909279 385615385 /nfs/dbraw/zinc/61/53/85/385615385.db2.gz QWURWJFCMFCSFR-NWDGAFQWSA-N 2 1 243.351 -0.633 20 0 BBADMP C[C@H]1C[N@@H+](CCN2CCO[C@@H](C[NH3+])C2)CCO1 ZINC000647909280 385615348 /nfs/dbraw/zinc/61/53/48/385615348.db2.gz QWURWJFCMFCSFR-RYUDHWBXSA-N 2 1 243.351 -0.633 20 0 BBADMP C[C@H]1C[N@H+](CCN2CCO[C@@H](C[NH3+])C2)CCO1 ZINC000647909280 385615344 /nfs/dbraw/zinc/61/53/44/385615344.db2.gz QWURWJFCMFCSFR-RYUDHWBXSA-N 2 1 243.351 -0.633 20 0 BBADMP C[C@@H]1C[N@@H+](CCN2CCO[C@H](C[NH3+])C2)CCO1 ZINC000647909281 385615010 /nfs/dbraw/zinc/61/50/10/385615010.db2.gz QWURWJFCMFCSFR-VXGBXAGGSA-N 2 1 243.351 -0.633 20 0 BBADMP C[C@@H]1C[N@H+](CCN2CCO[C@H](C[NH3+])C2)CCO1 ZINC000647909281 385615006 /nfs/dbraw/zinc/61/50/06/385615006.db2.gz QWURWJFCMFCSFR-VXGBXAGGSA-N 2 1 243.351 -0.633 20 0 BBADMP CNS(=O)(=O)CCC[NH+]1CCC(C)([NH3+])CC1 ZINC000647924813 385958923 /nfs/dbraw/zinc/95/89/23/385958923.db2.gz MHJOLNMLHSAUQC-UHFFFAOYSA-N 2 1 249.380 -0.261 20 0 BBADMP CC1([NH3+])CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000647925321 385966610 /nfs/dbraw/zinc/96/66/10/385966610.db2.gz DDYXWSLGRWEJHN-UHFFFAOYSA-N 2 1 239.319 -0.051 20 0 BBADMP CC[C@@H]1C[N@H+]([C@H]2CCNC2=O)CC[C@H]1[NH3+] ZINC000647935013 386482505 /nfs/dbraw/zinc/48/25/05/386482505.db2.gz XFOWYKZEPYSETD-BBBLOLIVSA-N 2 1 211.309 -0.066 20 0 BBADMP CC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CC[C@H]1[NH3+] ZINC000647935013 386482501 /nfs/dbraw/zinc/48/25/01/386482501.db2.gz XFOWYKZEPYSETD-BBBLOLIVSA-N 2 1 211.309 -0.066 20 0 BBADMP CC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CC[C@@H]1[NH3+] ZINC000647935014 386482708 /nfs/dbraw/zinc/48/27/08/386482708.db2.gz XFOWYKZEPYSETD-KXUCPTDWSA-N 2 1 211.309 -0.066 20 0 BBADMP CC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CC[C@@H]1[NH3+] ZINC000647935014 386482703 /nfs/dbraw/zinc/48/27/03/386482703.db2.gz XFOWYKZEPYSETD-KXUCPTDWSA-N 2 1 211.309 -0.066 20 0 BBADMP CC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CC[C@H]1[NH3+] ZINC000647935015 386483377 /nfs/dbraw/zinc/48/33/77/386483377.db2.gz XFOWYKZEPYSETD-OPRDCNLKSA-N 2 1 211.309 -0.066 20 0 BBADMP CC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CC[C@H]1[NH3+] ZINC000647935015 386483370 /nfs/dbraw/zinc/48/33/70/386483370.db2.gz XFOWYKZEPYSETD-OPRDCNLKSA-N 2 1 211.309 -0.066 20 0 BBADMP CC[C@@H]1C[N@H+]([C@H]2CCNC2=O)CC[C@@H]1[NH3+] ZINC000647935016 386482658 /nfs/dbraw/zinc/48/26/58/386482658.db2.gz XFOWYKZEPYSETD-UTLUCORTSA-N 2 1 211.309 -0.066 20 0 BBADMP CC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CC[C@@H]1[NH3+] ZINC000647935016 386482655 /nfs/dbraw/zinc/48/26/55/386482655.db2.gz XFOWYKZEPYSETD-UTLUCORTSA-N 2 1 211.309 -0.066 20 0 BBADMP CC[C@@H]1CN(CCN2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000647935078 386485423 /nfs/dbraw/zinc/48/54/23/386485423.db2.gz YYYULWOOLOLESC-CHWSQXEVSA-N 2 1 240.395 -0.049 20 0 BBADMP CC[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000647935078 386485418 /nfs/dbraw/zinc/48/54/18/386485418.db2.gz YYYULWOOLOLESC-CHWSQXEVSA-N 3 1 240.395 -0.049 20 0 BBADMP CC[C@@H]1CN(CCN2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000647935079 386485062 /nfs/dbraw/zinc/48/50/62/386485062.db2.gz YYYULWOOLOLESC-OLZOCXBDSA-N 2 1 240.395 -0.049 20 0 BBADMP CC[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000647935079 386485055 /nfs/dbraw/zinc/48/50/55/386485055.db2.gz YYYULWOOLOLESC-OLZOCXBDSA-N 3 1 240.395 -0.049 20 0 BBADMP CC[C@H]1CN(CCN2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000647935080 386485593 /nfs/dbraw/zinc/48/55/93/386485593.db2.gz YYYULWOOLOLESC-QWHCGFSZSA-N 2 1 240.395 -0.049 20 0 BBADMP CC[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000647935080 386485589 /nfs/dbraw/zinc/48/55/89/386485589.db2.gz YYYULWOOLOLESC-QWHCGFSZSA-N 3 1 240.395 -0.049 20 0 BBADMP CC[C@H]1CN(CCN2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000647935081 386484793 /nfs/dbraw/zinc/48/47/93/386484793.db2.gz YYYULWOOLOLESC-STQMWFEESA-N 2 1 240.395 -0.049 20 0 BBADMP CC[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000647935081 386484787 /nfs/dbraw/zinc/48/47/87/386484787.db2.gz YYYULWOOLOLESC-STQMWFEESA-N 3 1 240.395 -0.049 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H]1C(=O)NC ZINC000647960979 386730415 /nfs/dbraw/zinc/73/04/15/386730415.db2.gz WUYSUZALHRYOTH-GHMZBOCLSA-N 2 1 243.351 -0.491 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@H]1C(=O)NC ZINC000647960980 386730381 /nfs/dbraw/zinc/73/03/81/386730381.db2.gz WUYSUZALHRYOTH-MNOVXSKESA-N 2 1 243.351 -0.491 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@H]1C(=O)NC ZINC000647960981 386730003 /nfs/dbraw/zinc/73/00/03/386730003.db2.gz WUYSUZALHRYOTH-QWRGUYRKSA-N 2 1 243.351 -0.491 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@@H]1C(=O)NC ZINC000647960982 386730810 /nfs/dbraw/zinc/73/08/10/386730810.db2.gz WUYSUZALHRYOTH-WDEREUQCSA-N 2 1 243.351 -0.491 20 0 BBADMP CNC(=O)CC[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000647962039 386734422 /nfs/dbraw/zinc/73/44/22/386734422.db2.gz KHUZPSRTZUJYDW-LLVKDONJSA-N 2 1 245.367 -0.245 20 0 BBADMP CNC(=O)CC[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000647962039 386734417 /nfs/dbraw/zinc/73/44/17/386734417.db2.gz KHUZPSRTZUJYDW-LLVKDONJSA-N 2 1 245.367 -0.245 20 0 BBADMP CNC(=O)CC[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000647962039 386734412 /nfs/dbraw/zinc/73/44/12/386734412.db2.gz KHUZPSRTZUJYDW-LLVKDONJSA-N 2 1 245.367 -0.245 20 0 BBADMP CNC(=O)CC[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000647962039 386734407 /nfs/dbraw/zinc/73/44/07/386734407.db2.gz KHUZPSRTZUJYDW-LLVKDONJSA-N 2 1 245.367 -0.245 20 0 BBADMP CNC(=O)CC[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000647962040 386736168 /nfs/dbraw/zinc/73/61/68/386736168.db2.gz KHUZPSRTZUJYDW-NSHDSACASA-N 2 1 245.367 -0.245 20 0 BBADMP CNC(=O)CC[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000647962040 386736153 /nfs/dbraw/zinc/73/61/53/386736153.db2.gz KHUZPSRTZUJYDW-NSHDSACASA-N 2 1 245.367 -0.245 20 0 BBADMP CNC(=O)CC[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000647962040 386736145 /nfs/dbraw/zinc/73/61/45/386736145.db2.gz KHUZPSRTZUJYDW-NSHDSACASA-N 2 1 245.367 -0.245 20 0 BBADMP CNC(=O)CC[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000647962040 386736141 /nfs/dbraw/zinc/73/61/41/386736141.db2.gz KHUZPSRTZUJYDW-NSHDSACASA-N 2 1 245.367 -0.245 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCC(=O)NC ZINC000647962077 411499210 /nfs/dbraw/zinc/49/92/10/411499210.db2.gz MERHHGSWYIBJDY-JTQLQIEISA-N 2 1 231.340 -0.633 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CCC(=O)NC ZINC000647962077 411499208 /nfs/dbraw/zinc/49/92/08/411499208.db2.gz MERHHGSWYIBJDY-JTQLQIEISA-N 2 1 231.340 -0.633 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCC(=O)NC ZINC000647962077 411499207 /nfs/dbraw/zinc/49/92/07/411499207.db2.gz MERHHGSWYIBJDY-JTQLQIEISA-N 2 1 231.340 -0.633 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CCC(=O)NC ZINC000647962077 411499205 /nfs/dbraw/zinc/49/92/05/411499205.db2.gz MERHHGSWYIBJDY-JTQLQIEISA-N 2 1 231.340 -0.633 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCC(=O)NC ZINC000647962078 411498492 /nfs/dbraw/zinc/49/84/92/411498492.db2.gz MERHHGSWYIBJDY-SNVBAGLBSA-N 2 1 231.340 -0.633 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCC(=O)NC ZINC000647962078 411498488 /nfs/dbraw/zinc/49/84/88/411498488.db2.gz MERHHGSWYIBJDY-SNVBAGLBSA-N 2 1 231.340 -0.633 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCC(=O)NC ZINC000647962078 411498484 /nfs/dbraw/zinc/49/84/84/411498484.db2.gz MERHHGSWYIBJDY-SNVBAGLBSA-N 2 1 231.340 -0.633 20 0 BBADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCC(=O)NC ZINC000647962078 411498480 /nfs/dbraw/zinc/49/84/80/411498480.db2.gz MERHHGSWYIBJDY-SNVBAGLBSA-N 2 1 231.340 -0.633 20 0 BBADMP CC(C)[N@@H+](C)C[C@@H](O)CN1C[C@@H](O)C[C@H]1CO ZINC000647971737 386510980 /nfs/dbraw/zinc/51/09/80/386510980.db2.gz VINHKIMBEVZPCQ-SDDRHHMPSA-N 2 1 246.351 -0.885 20 0 BBADMP CC(C)[N@@H+](C)C[C@H](O)CN1C[C@@H](O)C[C@H]1CO ZINC000647971738 386510196 /nfs/dbraw/zinc/51/01/96/386510196.db2.gz VINHKIMBEVZPCQ-SRVKXCTJSA-N 2 1 246.351 -0.885 20 0 BBADMP CC(C)[N@@H+](C)C[C@H](O)CN1C[C@H](O)C[C@H]1CO ZINC000647971739 386510511 /nfs/dbraw/zinc/51/05/11/386510511.db2.gz VINHKIMBEVZPCQ-TUAOUCFPSA-N 2 1 246.351 -0.885 20 0 BBADMP NS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647988825 386321981 /nfs/dbraw/zinc/32/19/81/386321981.db2.gz UBPXQNWOXNLGAX-NXEZZACHSA-N 2 1 247.364 -0.651 20 0 BBADMP NS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647988825 386321979 /nfs/dbraw/zinc/32/19/79/386321979.db2.gz UBPXQNWOXNLGAX-NXEZZACHSA-N 2 1 247.364 -0.651 20 0 BBADMP NS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647988826 386320951 /nfs/dbraw/zinc/32/09/51/386320951.db2.gz UBPXQNWOXNLGAX-UWVGGRQHSA-N 2 1 247.364 -0.651 20 0 BBADMP NS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647988826 386320941 /nfs/dbraw/zinc/32/09/41/386320941.db2.gz UBPXQNWOXNLGAX-UWVGGRQHSA-N 2 1 247.364 -0.651 20 0 BBADMP NS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647988827 386322655 /nfs/dbraw/zinc/32/26/55/386322655.db2.gz UBPXQNWOXNLGAX-VHSXEESVSA-N 2 1 247.364 -0.651 20 0 BBADMP NS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647988827 386322650 /nfs/dbraw/zinc/32/26/50/386322650.db2.gz UBPXQNWOXNLGAX-VHSXEESVSA-N 2 1 247.364 -0.651 20 0 BBADMP NS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647988828 386322743 /nfs/dbraw/zinc/32/27/43/386322743.db2.gz UBPXQNWOXNLGAX-ZJUUUORDSA-N 2 1 247.364 -0.651 20 0 BBADMP NS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647988828 386322736 /nfs/dbraw/zinc/32/27/36/386322736.db2.gz UBPXQNWOXNLGAX-ZJUUUORDSA-N 2 1 247.364 -0.651 20 0 BBADMP C[C@@H]1C[N@@H+](CCOCC[NH3+])[C@H](C)CN1C ZINC000647989202 386348672 /nfs/dbraw/zinc/34/86/72/386348672.db2.gz XAHNHRXVYJATHV-GHMZBOCLSA-N 2 1 215.341 -0.014 20 0 BBADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1CCOCC[NH3+] ZINC000647989202 386348665 /nfs/dbraw/zinc/34/86/65/386348665.db2.gz XAHNHRXVYJATHV-GHMZBOCLSA-N 2 1 215.341 -0.014 20 0 BBADMP C[C@@H]1C[N@@H+](CCOCC[NH3+])[C@@H](C)CN1C ZINC000647989204 386346633 /nfs/dbraw/zinc/34/66/33/386346633.db2.gz XAHNHRXVYJATHV-MNOVXSKESA-N 2 1 215.341 -0.014 20 0 BBADMP C[C@@H]1CN(CCOCC[NH3+])[C@@H](C)C[N@H+]1C ZINC000647989204 386346619 /nfs/dbraw/zinc/34/66/19/386346619.db2.gz XAHNHRXVYJATHV-MNOVXSKESA-N 2 1 215.341 -0.014 20 0 BBADMP C[C@H]1C[N@@H+](CCOCC[NH3+])[C@@H](C)CN1C ZINC000647989205 386346226 /nfs/dbraw/zinc/34/62/26/386346226.db2.gz XAHNHRXVYJATHV-QWRGUYRKSA-N 2 1 215.341 -0.014 20 0 BBADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1CCOCC[NH3+] ZINC000647989205 386346214 /nfs/dbraw/zinc/34/62/14/386346214.db2.gz XAHNHRXVYJATHV-QWRGUYRKSA-N 2 1 215.341 -0.014 20 0 BBADMP C[C@@H]1CN(C)[C@@H](C)C[N@H+]1CCOCC[NH3+] ZINC000647989206 386348172 /nfs/dbraw/zinc/34/81/72/386348172.db2.gz XAHNHRXVYJATHV-WDEREUQCSA-N 2 1 215.341 -0.014 20 0 BBADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CCOCC[NH3+] ZINC000647989206 386348165 /nfs/dbraw/zinc/34/81/65/386348165.db2.gz XAHNHRXVYJATHV-WDEREUQCSA-N 2 1 215.341 -0.014 20 0 BBADMP CN(C)C(=O)NCC[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647990742 386394614 /nfs/dbraw/zinc/39/46/14/386394614.db2.gz BQYSTADLMMWJKT-JTQLQIEISA-N 2 1 228.340 -0.201 20 0 BBADMP CN(C)C(=O)NCC[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647990742 386394609 /nfs/dbraw/zinc/39/46/09/386394609.db2.gz BQYSTADLMMWJKT-JTQLQIEISA-N 2 1 228.340 -0.201 20 0 BBADMP CN(C)C(=O)NCC[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647990743 386394565 /nfs/dbraw/zinc/39/45/65/386394565.db2.gz BQYSTADLMMWJKT-SNVBAGLBSA-N 2 1 228.340 -0.201 20 0 BBADMP CN(C)C(=O)NCC[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647990743 386394563 /nfs/dbraw/zinc/39/45/63/386394563.db2.gz BQYSTADLMMWJKT-SNVBAGLBSA-N 2 1 228.340 -0.201 20 0 BBADMP C[C@@H]1CC[C@@H](O)C[N@H+]1CCN1CC[NH2+]CC1 ZINC000647997585 386621132 /nfs/dbraw/zinc/62/11/32/386621132.db2.gz QWKCSKIWYBOVES-VXGBXAGGSA-N 2 1 227.352 -0.263 20 0 BBADMP C[C@@H]1CC[C@@H](O)C[N@H+]1CCOCC[NH3+] ZINC000647997642 386620495 /nfs/dbraw/zinc/62/04/95/386620495.db2.gz VGVYEYXYXDPOSB-NXEZZACHSA-N 2 1 202.298 -0.193 20 0 BBADMP C[C@@H]1[C@H](C(=O)NCC2C[NH2+]C2)CC[N@H+]1C ZINC000648106001 387029629 /nfs/dbraw/zinc/02/96/29/387029629.db2.gz ZTJVOOJCWUATJP-PSASIEDQSA-N 2 1 211.309 -0.338 20 0 BBADMP COCC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648106175 387028487 /nfs/dbraw/zinc/02/84/87/387028487.db2.gz HZMCLXNKUNBCQU-GHMZBOCLSA-N 2 1 243.351 -0.321 20 0 BBADMP C[N@H+]1CCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000648110446 387503101 /nfs/dbraw/zinc/50/31/01/387503101.db2.gz LFJYJLNYOKACBO-URLYPYJESA-N 2 1 223.320 -0.384 20 0 BBADMP C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000648110479 387506453 /nfs/dbraw/zinc/50/64/53/387506453.db2.gz ZHKBUHRNDXQRIK-MXWKQRLJSA-N 2 1 223.320 -0.099 20 0 BBADMP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@H+]1C ZINC000648110751 386790365 /nfs/dbraw/zinc/79/03/65/386790365.db2.gz MDUGZUQJPVKTFR-GMTAPVOTSA-N 2 1 241.335 -0.487 20 0 BBADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@H+]1C ZINC000648110752 386794548 /nfs/dbraw/zinc/79/45/48/386794548.db2.gz MDUGZUQJPVKTFR-OUAUKWLOSA-N 2 1 241.335 -0.487 20 0 BBADMP CC1(OCC(=O)NCC(F)(F)C[NH3+])C[NH2+]C1 ZINC000648110991 386935964 /nfs/dbraw/zinc/93/59/64/386935964.db2.gz DHISHDSEIUOYDW-UHFFFAOYSA-N 2 1 237.250 -0.925 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000648111035 386930729 /nfs/dbraw/zinc/93/07/29/386930729.db2.gz NMOHPASMXJCBJE-MUWHJKNJSA-N 2 1 219.235 -0.551 20 0 BBADMP O=C([C@@H]1CSC[NH2+]1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000648123163 387377350 /nfs/dbraw/zinc/37/73/50/387377350.db2.gz LYESYGIQBXRZMU-AEJSXWLSSA-N 2 1 241.360 -0.141 20 0 BBADMP O=C([C@@H]1CSC[NH2+]1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000648123164 387377624 /nfs/dbraw/zinc/37/76/24/387377624.db2.gz LYESYGIQBXRZMU-BBBLOLIVSA-N 2 1 241.360 -0.141 20 0 BBADMP O=C([C@@H]1CSC[NH2+]1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000648123165 387378054 /nfs/dbraw/zinc/37/80/54/387378054.db2.gz LYESYGIQBXRZMU-GUBZILKMSA-N 2 1 241.360 -0.141 20 0 BBADMP O=C([C@H]1CSC[NH2+]1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000648123166 387377846 /nfs/dbraw/zinc/37/78/46/387377846.db2.gz LYESYGIQBXRZMU-IVZWLZJFSA-N 2 1 241.360 -0.141 20 0 BBADMP O=C([C@H]1CSC[NH2+]1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000648123167 387379081 /nfs/dbraw/zinc/37/90/81/387379081.db2.gz LYESYGIQBXRZMU-KXUCPTDWSA-N 2 1 241.360 -0.141 20 0 BBADMP O=C([C@H]1CSC[NH2+]1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000648123168 387379161 /nfs/dbraw/zinc/37/91/61/387379161.db2.gz LYESYGIQBXRZMU-LPEHRKFASA-N 2 1 241.360 -0.141 20 0 BBADMP O=C([C@H]1CSC[NH2+]1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000648123169 387377206 /nfs/dbraw/zinc/37/72/06/387377206.db2.gz LYESYGIQBXRZMU-OPRDCNLKSA-N 2 1 241.360 -0.141 20 0 BBADMP O=C([C@@H]1CSC[NH2+]1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000648123170 387378470 /nfs/dbraw/zinc/37/84/70/387378470.db2.gz LYESYGIQBXRZMU-UTLUCORTSA-N 2 1 241.360 -0.141 20 0 BBADMP O=C([C@H]1COCC[NH2+]1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000648123856 387408172 /nfs/dbraw/zinc/40/81/72/387408172.db2.gz KFYDUBBATUZZKH-GARJFASQSA-N 2 1 239.319 -0.815 20 0 BBADMP O=C([C@H]1COCC[NH2+]1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000648123857 387410227 /nfs/dbraw/zinc/41/02/27/387410227.db2.gz KFYDUBBATUZZKH-GMTAPVOTSA-N 2 1 239.319 -0.815 20 0 BBADMP O=C([C@H]1COCC[NH2+]1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000648123858 387407853 /nfs/dbraw/zinc/40/78/53/387407853.db2.gz KFYDUBBATUZZKH-HBNTYKKESA-N 2 1 239.319 -0.815 20 0 BBADMP O=C([C@H]1COCC[NH2+]1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000648123859 387408231 /nfs/dbraw/zinc/40/82/31/387408231.db2.gz KFYDUBBATUZZKH-OUAUKWLOSA-N 2 1 239.319 -0.815 20 0 BBADMP O=C([C@@H]1CSC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000648139009 384163551 /nfs/dbraw/zinc/16/35/51/384163551.db2.gz WYVGNCUSHQRLIG-AEJSXWLSSA-N 2 1 241.360 -0.283 20 0 BBADMP O=C([C@@H]1CSC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000648139010 384162955 /nfs/dbraw/zinc/16/29/55/384162955.db2.gz WYVGNCUSHQRLIG-BBBLOLIVSA-N 2 1 241.360 -0.283 20 0 BBADMP O=C([C@@H]1CSC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000648139011 384162879 /nfs/dbraw/zinc/16/28/79/384162879.db2.gz WYVGNCUSHQRLIG-GUBZILKMSA-N 2 1 241.360 -0.283 20 0 BBADMP O=C([C@@H]1CSC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000648139012 384162242 /nfs/dbraw/zinc/16/22/42/384162242.db2.gz WYVGNCUSHQRLIG-UTLUCORTSA-N 2 1 241.360 -0.283 20 0 BBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@H+]1C ZINC000648140195 384166541 /nfs/dbraw/zinc/16/65/41/384166541.db2.gz HQMNXNYDYXJWBY-APLZJWDSSA-N 2 1 223.320 -0.339 20 0 BBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000648144686 384319075 /nfs/dbraw/zinc/31/90/75/384319075.db2.gz HVLQOLNEUOMZSW-MWGHHZFTSA-N 2 1 241.310 -0.103 20 0 BBADMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000648144687 384319557 /nfs/dbraw/zinc/31/95/57/384319557.db2.gz HVLQOLNEUOMZSW-SVDPJWKOSA-N 2 1 241.310 -0.103 20 0 BBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000648144697 384319299 /nfs/dbraw/zinc/31/92/99/384319299.db2.gz JNHKUQMAUYKBPP-FYLLDIAZSA-N 2 1 241.310 -0.388 20 0 BBADMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000648144698 384320344 /nfs/dbraw/zinc/32/03/44/384320344.db2.gz JNHKUQMAUYKBPP-XNDJQWLSSA-N 2 1 241.310 -0.388 20 0 BBADMP C[C@@H]([NH3+])[C@H](C)NC(=O)[C@H]1CSC[NH2+]1 ZINC000648144931 384428770 /nfs/dbraw/zinc/42/87/70/384428770.db2.gz JZGGDMPNVPKRMB-DSYKOEDSSA-N 2 1 203.311 -0.499 20 0 BBADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@H]1CSC[NH2+]1 ZINC000648144932 384428856 /nfs/dbraw/zinc/42/88/56/384428856.db2.gz JZGGDMPNVPKRMB-FSDSQADBSA-N 2 1 203.311 -0.499 20 0 BBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)COCC[NH3+] ZINC000648155642 384731621 /nfs/dbraw/zinc/73/16/21/384731621.db2.gz XKDTYHIBROGEQF-LLVKDONJSA-N 2 1 243.351 -0.240 20 0 BBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)COCC[NH3+] ZINC000648155643 384731092 /nfs/dbraw/zinc/73/10/92/384731092.db2.gz XKDTYHIBROGEQF-NSHDSACASA-N 2 1 243.351 -0.240 20 0 BBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000648177323 384547383 /nfs/dbraw/zinc/54/73/83/384547383.db2.gz SVNLSSBIPDVBOT-GMTAPVOTSA-N 2 1 241.335 -0.569 20 0 BBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000648177325 384548340 /nfs/dbraw/zinc/54/83/40/384548340.db2.gz SVNLSSBIPDVBOT-OUAUKWLOSA-N 2 1 241.335 -0.569 20 0 BBADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CSC[NH2+]1 ZINC000648177387 384547301 /nfs/dbraw/zinc/54/73/01/384547301.db2.gz XKFNUHUZDOMKQJ-FXQIFTODSA-N 2 1 215.322 -0.403 20 0 BBADMP CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649275505 398133798 /nfs/dbraw/zinc/13/37/98/398133798.db2.gz FFLZFGQKTQRVEC-MXWKQRLJSA-N 2 1 223.320 -0.099 20 0 BBADMP CC[NH+]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649275516 398133605 /nfs/dbraw/zinc/13/36/05/398133605.db2.gz GMWZHFJTRLCULT-URLYPYJESA-N 2 1 223.320 -0.384 20 0 BBADMP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH+](C2CC2)CC1 ZINC000649286881 388543289 /nfs/dbraw/zinc/54/32/89/388543289.db2.gz IZMAHDMFQZVSQI-GDNZZTSVSA-N 2 1 235.331 -0.242 20 0 BBADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649297975 388576873 /nfs/dbraw/zinc/57/68/73/388576873.db2.gz IAIJBWBCVYKUOV-NNYUYHANSA-N 2 1 237.347 -0.090 20 0 BBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649297976 388576476 /nfs/dbraw/zinc/57/64/76/388576476.db2.gz IAIJBWBCVYKUOV-WYUUTHIRSA-N 2 1 237.347 -0.090 20 0 BBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649298071 388576529 /nfs/dbraw/zinc/57/65/29/388576529.db2.gz OCDJHVLIWBZNSQ-UKKRHICBSA-N 2 1 223.320 -0.480 20 0 BBADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649298072 388576746 /nfs/dbraw/zinc/57/67/46/388576746.db2.gz OCDJHVLIWBZNSQ-ZNSHCXBVSA-N 2 1 223.320 -0.480 20 0 BBADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649298153 388576289 /nfs/dbraw/zinc/57/62/89/388576289.db2.gz VYYZLKBFHPGPEM-DBIOUOCHSA-N 2 1 223.320 -0.195 20 0 BBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649298154 388576729 /nfs/dbraw/zinc/57/67/29/388576729.db2.gz VYYZLKBFHPGPEM-ZDCRXTMVSA-N 2 1 223.320 -0.195 20 0 BBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)COCC[NH3+] ZINC000649299005 388578086 /nfs/dbraw/zinc/57/80/86/388578086.db2.gz RSBQZFJCAPWTBM-LLVKDONJSA-N 2 1 243.351 -0.238 20 0 BBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)COCC[NH3+] ZINC000649299006 388578070 /nfs/dbraw/zinc/57/80/70/388578070.db2.gz RSBQZFJCAPWTBM-NSHDSACASA-N 2 1 243.351 -0.238 20 0 BBADMP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649304958 388589539 /nfs/dbraw/zinc/58/95/39/388589539.db2.gz RPMNCFURUFMQJW-DBIOUOCHSA-N 2 1 223.320 -0.053 20 0 BBADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649304959 388589385 /nfs/dbraw/zinc/58/93/85/388589385.db2.gz RPMNCFURUFMQJW-YTWAJWBKSA-N 2 1 223.320 -0.053 20 0 BBADMP C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000649304992 388589418 /nfs/dbraw/zinc/58/94/18/388589418.db2.gz VEVWYZKGBXIMDH-AEJSXWLSSA-N 2 1 211.309 -0.066 20 0 BBADMP C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000649304993 388589047 /nfs/dbraw/zinc/58/90/47/388589047.db2.gz VEVWYZKGBXIMDH-KXUCPTDWSA-N 2 1 211.309 -0.066 20 0 BBADMP C[N@H+]1CCC[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649305031 388589021 /nfs/dbraw/zinc/58/90/21/388589021.db2.gz YCDOVOCACOSYSR-UKKRHICBSA-N 2 1 223.320 -0.338 20 0 BBADMP C[N@H+]1CCC[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649305032 388589483 /nfs/dbraw/zinc/58/94/83/388589483.db2.gz YCDOVOCACOSYSR-ZNSHCXBVSA-N 2 1 223.320 -0.338 20 0 BBADMP C[N@@H+](CCNC(=O)[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000649307319 388592671 /nfs/dbraw/zinc/59/26/71/388592671.db2.gz GLFSOPYYRBJRKV-DTORHVGOSA-N 2 1 211.309 -0.066 20 0 BBADMP C[N@@H+](CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000649307352 388592823 /nfs/dbraw/zinc/59/28/23/388592823.db2.gz JIZFNUXGBGVYBP-URLYPYJESA-N 2 1 223.320 -0.338 20 0 BBADMP C[N@@H+](CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)C1CC1 ZINC000649307537 388593309 /nfs/dbraw/zinc/59/33/09/388593309.db2.gz YYDVMDPYQKZMAE-IEBDPFPHSA-N 2 1 223.320 -0.053 20 0 BBADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649308182 388594998 /nfs/dbraw/zinc/59/49/98/388594998.db2.gz QLDCDGCSZNMQTQ-OHBODLIOSA-N 2 1 235.331 -0.195 20 0 BBADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649308183 388594524 /nfs/dbraw/zinc/59/45/24/388594524.db2.gz QLDCDGCSZNMQTQ-YJQGPUDQSA-N 2 1 235.331 -0.195 20 0 BBADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649311010 388596811 /nfs/dbraw/zinc/59/68/11/388596811.db2.gz UGAVOAZAYVHLFC-NNYUYHANSA-N 2 1 237.347 -0.090 20 0 BBADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649311011 388596526 /nfs/dbraw/zinc/59/65/26/388596526.db2.gz UGAVOAZAYVHLFC-WYUUTHIRSA-N 2 1 237.347 -0.090 20 0 BBADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649312443 388600157 /nfs/dbraw/zinc/60/01/57/388600157.db2.gz QEASLPKLTBXLMR-URLYPYJESA-N 2 1 234.303 -0.227 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649313993 398141344 /nfs/dbraw/zinc/14/13/44/398141344.db2.gz GASCEFWTQWFSFB-URLYPYJESA-N 2 1 241.335 -0.854 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649314277 388603580 /nfs/dbraw/zinc/60/35/80/388603580.db2.gz XPDIHJPUVIJMHM-MXWKQRLJSA-N 2 1 241.335 -0.569 20 0 BBADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649318454 398142711 /nfs/dbraw/zinc/14/27/11/398142711.db2.gz LYGHDVVFNMZHJQ-URLYPYJESA-N 2 1 225.336 -0.092 20 0 BBADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649341700 398157950 /nfs/dbraw/zinc/15/79/50/398157950.db2.gz RLNYIBLKOLBIBG-NNYUYHANSA-N 2 1 237.347 -0.090 20 0 BBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649341701 398157992 /nfs/dbraw/zinc/15/79/92/398157992.db2.gz RLNYIBLKOLBIBG-WYUUTHIRSA-N 2 1 237.347 -0.090 20 0 BBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000649341770 398157880 /nfs/dbraw/zinc/15/78/80/398157880.db2.gz WLAXFDROAQDNNX-GHMZBOCLSA-N 2 1 241.335 -0.567 20 0 BBADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000649341771 398158042 /nfs/dbraw/zinc/15/80/42/398158042.db2.gz WLAXFDROAQDNNX-WDEREUQCSA-N 2 1 241.335 -0.567 20 0 BBADMP C[C@H]1CC[N@@H+](CCNC(=O)COCC[NH3+])C1 ZINC000649342236 398158544 /nfs/dbraw/zinc/15/85/44/398158544.db2.gz VIWKAMRUAPBJFB-JTQLQIEISA-N 2 1 229.324 -0.580 20 0 BBADMP C[C@@H]1CC[N@@H+](CCNC(=O)COCC[NH3+])C1 ZINC000649342237 398158482 /nfs/dbraw/zinc/15/84/82/398158482.db2.gz VIWKAMRUAPBJFB-SNVBAGLBSA-N 2 1 229.324 -0.580 20 0 BBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000649342255 398158989 /nfs/dbraw/zinc/15/89/89/398158989.db2.gz WLAXFDROAQDNNX-MNOVXSKESA-N 2 1 241.335 -0.567 20 0 BBADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000649342256 398158523 /nfs/dbraw/zinc/15/85/23/398158523.db2.gz WLAXFDROAQDNNX-QWRGUYRKSA-N 2 1 241.335 -0.567 20 0 BBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C[NH3+])CC2)C1 ZINC000649352729 398165867 /nfs/dbraw/zinc/16/58/67/398165867.db2.gz GUYMZGKDHMCQGI-LLVKDONJSA-N 2 1 240.351 -0.817 20 0 BBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C[NH3+])CC2)C1 ZINC000649352730 398166045 /nfs/dbraw/zinc/16/60/45/398166045.db2.gz GUYMZGKDHMCQGI-NSHDSACASA-N 2 1 240.351 -0.817 20 0 BBADMP CCN1CC[NH+](CCC(=O)NC[C@@H](C)[NH3+])CC1 ZINC000649359978 398172583 /nfs/dbraw/zinc/17/25/83/398172583.db2.gz SQKSYEXUKHKNRE-LLVKDONJSA-N 2 1 242.367 -0.523 20 0 BBADMP CCN1CC[NH+](CCC(=O)NC[C@H](C)[NH3+])CC1 ZINC000649359979 398172605 /nfs/dbraw/zinc/17/26/05/398172605.db2.gz SQKSYEXUKHKNRE-NSHDSACASA-N 2 1 242.367 -0.523 20 0 BBADMP CC(C)[N@H+]1CCCN(C(=O)COCC[NH3+])CC1 ZINC000649374075 398182362 /nfs/dbraw/zinc/18/23/62/398182362.db2.gz PIESSGVZGGBWDI-UHFFFAOYSA-N 2 1 243.351 -0.096 20 0 BBADMP C[N@@H+](CCC[NH3+])CCCN1CCOCC1 ZINC000649410138 398209059 /nfs/dbraw/zinc/20/90/59/398209059.db2.gz SHMBKZSXUZSCAS-UHFFFAOYSA-N 2 1 215.341 -0.011 20 0 BBADMP COC[C@H]1C[C@@H](O)C[N@H+]1CCn1ccnc1 ZINC000649764223 398091465 /nfs/dbraw/zinc/09/14/65/398091465.db2.gz WQGQSLFLAZZKID-GHMZBOCLSA-N 2 1 225.292 -0.035 20 0 BBADMP CCO[C@@H]1C[N@@H+](CCC[NH3+])C[C@H]1C[NH3+] ZINC000650714560 410346859 /nfs/dbraw/zinc/34/68/59/410346859.db2.gz NQGSJTCNZOPUGZ-NXEZZACHSA-N 3 1 201.314 -0.369 20 0 BBADMP CCO[C@@H]1C[N@H+](CCC[NH3+])C[C@H]1C[NH3+] ZINC000650714560 410346851 /nfs/dbraw/zinc/34/68/51/410346851.db2.gz NQGSJTCNZOPUGZ-NXEZZACHSA-N 3 1 201.314 -0.369 20 0 BBADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000650743053 410378292 /nfs/dbraw/zinc/37/82/92/410378292.db2.gz LDBIHUFPVFPGQN-AXTSPUMRSA-N 2 1 211.309 -0.162 20 0 BBADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000650743054 410378235 /nfs/dbraw/zinc/37/82/35/410378235.db2.gz LDBIHUFPVFPGQN-DOLQZWNJSA-N 2 1 211.309 -0.162 20 0 BBADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000650743055 410376963 /nfs/dbraw/zinc/37/69/63/410376963.db2.gz LDBIHUFPVFPGQN-IMSYWVGJSA-N 2 1 211.309 -0.162 20 0 BBADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000650743056 410377284 /nfs/dbraw/zinc/37/72/84/410377284.db2.gz LDBIHUFPVFPGQN-QEYWKRMJSA-N 2 1 211.309 -0.162 20 0 BBADMP C[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)[C@H]1CCC[NH2+]1 ZINC000650743520 410377112 /nfs/dbraw/zinc/37/71/12/410377112.db2.gz VLVXTGIGTGIZEM-AXTSPUMRSA-N 2 1 211.309 -0.020 20 0 BBADMP C[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)[C@H]1CCC[NH2+]1 ZINC000650743521 410377348 /nfs/dbraw/zinc/37/73/48/410377348.db2.gz VLVXTGIGTGIZEM-DOLQZWNJSA-N 2 1 211.309 -0.020 20 0 BBADMP C[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000650743522 410377319 /nfs/dbraw/zinc/37/73/19/410377319.db2.gz VLVXTGIGTGIZEM-IMSYWVGJSA-N 2 1 211.309 -0.020 20 0 BBADMP C[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000650743523 410378018 /nfs/dbraw/zinc/37/80/18/410378018.db2.gz VLVXTGIGTGIZEM-QEYWKRMJSA-N 2 1 211.309 -0.020 20 0 BBADMP C[NH+]1CCC([NH2+][C@H]2C[C@@H](C(N)=O)C2)CC1 ZINC000651939681 411155640 /nfs/dbraw/zinc/15/56/40/411155640.db2.gz MZQRRFLHWGOYSD-WAAGHKOSSA-N 2 1 211.309 -0.066 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CCCOC ZINC000652337428 411204219 /nfs/dbraw/zinc/20/42/19/411204219.db2.gz LKQCPALQHMPZPS-JTQLQIEISA-N 2 1 204.314 -0.075 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CCCOC ZINC000652337429 411204259 /nfs/dbraw/zinc/20/42/59/411204259.db2.gz LKQCPALQHMPZPS-SNVBAGLBSA-N 2 1 204.314 -0.075 20 0 BBADMP CNC(=O)[C@H]1CCC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000652338147 411204983 /nfs/dbraw/zinc/20/49/83/411204983.db2.gz GIWBWBFCHPNNFI-CMPLNLGQSA-N 2 1 243.351 -0.585 20 0 BBADMP CNC(=O)[C@H]1CCC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000652338148 411204820 /nfs/dbraw/zinc/20/48/20/411204820.db2.gz GIWBWBFCHPNNFI-JQWIXIFHSA-N 2 1 243.351 -0.585 20 0 BBADMP CNC(=O)[C@@H]1CCC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000652338149 411204540 /nfs/dbraw/zinc/20/45/40/411204540.db2.gz GIWBWBFCHPNNFI-PWSUYJOCSA-N 2 1 243.351 -0.585 20 0 BBADMP CNC(=O)[C@@H]1CCC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000652338150 411204662 /nfs/dbraw/zinc/20/46/62/411204662.db2.gz GIWBWBFCHPNNFI-ZYHUDNBSSA-N 2 1 243.351 -0.585 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000652341367 411206931 /nfs/dbraw/zinc/20/69/31/411206931.db2.gz JKVBEASKJSRTNU-SRVKXCTJSA-N 3 1 229.368 -0.127 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000652341367 411206930 /nfs/dbraw/zinc/20/69/30/411206930.db2.gz JKVBEASKJSRTNU-SRVKXCTJSA-N 3 1 229.368 -0.127 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000652341368 411207079 /nfs/dbraw/zinc/20/70/79/411207079.db2.gz JKVBEASKJSRTNU-TUAOUCFPSA-N 3 1 229.368 -0.127 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000652341368 411207078 /nfs/dbraw/zinc/20/70/78/411207078.db2.gz JKVBEASKJSRTNU-TUAOUCFPSA-N 3 1 229.368 -0.127 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000652341369 411206910 /nfs/dbraw/zinc/20/69/10/411206910.db2.gz JKVBEASKJSRTNU-UTUOFQBUSA-N 3 1 229.368 -0.127 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000652341369 411206907 /nfs/dbraw/zinc/20/69/07/411206907.db2.gz JKVBEASKJSRTNU-UTUOFQBUSA-N 3 1 229.368 -0.127 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000652341370 411206796 /nfs/dbraw/zinc/20/67/96/411206796.db2.gz JKVBEASKJSRTNU-WOPDTQHZSA-N 3 1 229.368 -0.127 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000652341370 411206792 /nfs/dbraw/zinc/20/67/92/411206792.db2.gz JKVBEASKJSRTNU-WOPDTQHZSA-N 3 1 229.368 -0.127 20 0 BBADMP C[NH2+]C[C@](C)(O)CN(C)C[C@H]1CCC[N@H+]1C ZINC000652344265 411209423 /nfs/dbraw/zinc/20/94/23/411209423.db2.gz BOOXJNFENSERAQ-NEPJUHHUSA-N 2 1 229.368 -0.017 20 0 BBADMP C[NH2+]C[C@@](C)(O)CN(C)C[C@@H]1CCC[N@H+]1C ZINC000652344266 411209407 /nfs/dbraw/zinc/20/94/07/411209407.db2.gz BOOXJNFENSERAQ-NWDGAFQWSA-N 2 1 229.368 -0.017 20 0 BBADMP C[NH2+]C[C@](C)(O)CN(C)C[C@@H]1CCC[N@H+]1C ZINC000652344267 411208859 /nfs/dbraw/zinc/20/88/59/411208859.db2.gz BOOXJNFENSERAQ-RYUDHWBXSA-N 2 1 229.368 -0.017 20 0 BBADMP C[NH2+]C[C@@](C)(O)CN(C)C[C@H]1CCC[N@H+]1C ZINC000652344268 411209068 /nfs/dbraw/zinc/20/90/68/411209068.db2.gz BOOXJNFENSERAQ-VXGBXAGGSA-N 2 1 229.368 -0.017 20 0 BBADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC000652352622 487930308 /nfs/dbraw/zinc/93/03/08/487930308.db2.gz GBFBUOCPFAEXRN-NHCYSSNCSA-N 2 1 223.320 -0.064 20 0 BBADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC000652352623 487930082 /nfs/dbraw/zinc/93/00/82/487930082.db2.gz GBFBUOCPFAEXRN-UMNHJUIQSA-N 2 1 223.320 -0.064 20 0 BBADMP CCO[C@@H]1CN(CCOCC[NH3+])C[C@H]1C[NH3+] ZINC000652356366 411215521 /nfs/dbraw/zinc/21/55/21/411215521.db2.gz FCECYJYDYBRVNR-GHMZBOCLSA-N 2 1 231.340 -0.743 20 0 BBADMP CCO[C@@H]1C[N@@H+](CCOCC[NH3+])C[C@H]1C[NH3+] ZINC000652356366 411215518 /nfs/dbraw/zinc/21/55/18/411215518.db2.gz FCECYJYDYBRVNR-GHMZBOCLSA-N 3 1 231.340 -0.743 20 0 BBADMP CCO[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000652356517 411214640 /nfs/dbraw/zinc/21/46/40/411214640.db2.gz ONICSVONJZJNNP-IJLUTSLNSA-N 3 1 227.352 -0.109 20 0 BBADMP CCO[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000652356517 411214637 /nfs/dbraw/zinc/21/46/37/411214637.db2.gz ONICSVONJZJNNP-IJLUTSLNSA-N 3 1 227.352 -0.109 20 0 BBADMP CCO[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000652356518 411215299 /nfs/dbraw/zinc/21/52/99/411215299.db2.gz ONICSVONJZJNNP-QJPTWQEYSA-N 3 1 227.352 -0.109 20 0 BBADMP CCO[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000652356518 411215296 /nfs/dbraw/zinc/21/52/96/411215296.db2.gz ONICSVONJZJNNP-QJPTWQEYSA-N 3 1 227.352 -0.109 20 0 BBADMP NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363298 487932711 /nfs/dbraw/zinc/93/27/11/487932711.db2.gz AHUUJLAJZACTQW-AXFHLTTASA-N 2 1 241.335 -0.168 20 0 BBADMP NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363299 487932616 /nfs/dbraw/zinc/93/26/16/487932616.db2.gz AHUUJLAJZACTQW-GMTAPVOTSA-N 2 1 241.335 -0.168 20 0 BBADMP NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652363300 487933169 /nfs/dbraw/zinc/93/31/69/487933169.db2.gz AHUUJLAJZACTQW-HBNTYKKESA-N 2 1 241.335 -0.168 20 0 BBADMP NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363301 487933472 /nfs/dbraw/zinc/93/34/72/487933472.db2.gz AHUUJLAJZACTQW-MXWKQRLJSA-N 2 1 241.335 -0.168 20 0 BBADMP COCCOCC[NH+]1CCN(C[C@@H](C)[NH3+])CC1 ZINC000652364547 487934271 /nfs/dbraw/zinc/93/42/71/487934271.db2.gz YUWPELRJDXAGID-GFCCVEGCSA-N 2 1 245.367 -0.386 20 0 BBADMP COCCOCC[NH+]1CCN(C[C@H](C)[NH3+])CC1 ZINC000652364548 487934015 /nfs/dbraw/zinc/93/40/15/487934015.db2.gz YUWPELRJDXAGID-LBPRGKRZSA-N 2 1 245.367 -0.386 20 0 BBADMP [NH3+]CC(F)(F)CC(=O)N1CCC[NH2+]CC1 ZINC000653044119 411402025 /nfs/dbraw/zinc/40/20/25/411402025.db2.gz RSWZNBFUFAIBHI-UHFFFAOYSA-N 2 1 221.251 -0.208 20 0 BBADMP [NH3+]CC(F)(F)CC(=O)N[C@H]1CC[NH2+]C1 ZINC000653045820 411402537 /nfs/dbraw/zinc/40/25/37/411402537.db2.gz OGOPFGPQIQXIFH-LURJTMIESA-N 2 1 207.224 -0.551 20 0 BBADMP [NH3+]C[C@H]1CCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000653047199 411404109 /nfs/dbraw/zinc/40/41/09/411404109.db2.gz IZBJDBJIPCGQNT-SSDOTTSWSA-N 2 1 221.251 -0.222 20 0 BBADMP [NH3+]C[C@@H]1CCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000653047201 411403947 /nfs/dbraw/zinc/40/39/47/411403947.db2.gz IZBJDBJIPCGQNT-ZETCQYMHSA-N 2 1 221.251 -0.222 20 0 BBADMP [NH3+]CC(F)(F)CC(=O)NCC[NH2+]C1CC1 ZINC000653048704 411404837 /nfs/dbraw/zinc/40/48/37/411404837.db2.gz TYBWLIZLYUPHEJ-UHFFFAOYSA-N 2 1 221.251 -0.161 20 0 BBADMP C[C@@H](C[NH3+])N(C)C(=O)CC(F)(F)C[NH3+] ZINC000653051030 411405373 /nfs/dbraw/zinc/40/53/73/411405373.db2.gz DGAXOUAPJLFKRY-LURJTMIESA-N 2 1 209.240 -0.224 20 0 BBADMP C[C@H](C[NH3+])N(C)C(=O)CC(F)(F)C[NH3+] ZINC000653051031 411404975 /nfs/dbraw/zinc/40/49/75/411404975.db2.gz DGAXOUAPJLFKRY-ZCFIWIBFSA-N 2 1 209.240 -0.224 20 0 BBADMP CN(CCC[NH3+])C(=O)CC(F)(F)C[NH3+] ZINC000653053636 411406337 /nfs/dbraw/zinc/40/63/37/411406337.db2.gz XMVDAHOBWWVBJN-UHFFFAOYSA-N 2 1 209.240 -0.222 20 0 BBADMP CC[NH+]1CCN(C(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC000653104796 409798539 /nfs/dbraw/zinc/79/85/39/409798539.db2.gz UZPRBKMSFCKPMI-LLVKDONJSA-N 3 1 242.367 -0.571 20 0 BBADMP CC[NH+]1CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC000653104797 409796980 /nfs/dbraw/zinc/79/69/80/409796980.db2.gz UZPRBKMSFCKPMI-NSHDSACASA-N 3 1 242.367 -0.571 20 0 BBADMP C[NH+](C)CC[C@@H](N)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000653112370 487687822 /nfs/dbraw/zinc/68/78/22/487687822.db2.gz WTDSSDMXZXNYLI-GHMZBOCLSA-N 3 1 242.367 -0.524 20 0 BBADMP C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000653112371 487687295 /nfs/dbraw/zinc/68/72/95/487687295.db2.gz WTDSSDMXZXNYLI-MNOVXSKESA-N 3 1 242.367 -0.524 20 0 BBADMP C[NH+](C)CC[C@H](N)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000653112372 487687744 /nfs/dbraw/zinc/68/77/44/487687744.db2.gz WTDSSDMXZXNYLI-QWRGUYRKSA-N 3 1 242.367 -0.524 20 0 BBADMP C[NH+](C)CC[C@@H](N)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000653112373 487687799 /nfs/dbraw/zinc/68/77/99/487687799.db2.gz WTDSSDMXZXNYLI-WDEREUQCSA-N 3 1 242.367 -0.524 20 0 BBADMP C[NH+](C)CC[C@@H](N)C(=O)NCC[N@@H+](C)C1CC1 ZINC000653113185 409821874 /nfs/dbraw/zinc/82/18/74/409821874.db2.gz VSRQUGITVBPRQV-LLVKDONJSA-N 2 1 242.367 -0.524 20 0 BBADMP C[NH+](C)CC[C@H](N)C(=O)NCC[N@@H+](C)C1CC1 ZINC000653113186 409822688 /nfs/dbraw/zinc/82/26/88/409822688.db2.gz VSRQUGITVBPRQV-NSHDSACASA-N 2 1 242.367 -0.524 20 0 BBADMP CC(C)[N@@H+](C)CCNC(=O)[C@H](N)CC[NH+](C)C ZINC000653115117 409830416 /nfs/dbraw/zinc/83/04/16/409830416.db2.gz DAMFEVOFJBVNGK-LLVKDONJSA-N 2 1 244.383 -0.278 20 0 BBADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653115118 409830317 /nfs/dbraw/zinc/83/03/17/409830317.db2.gz DAMFEVOFJBVNGK-NSHDSACASA-N 2 1 244.383 -0.278 20 0 BBADMP C[NH+](C)CC[C@H](N)C(=O)N1CC[NH+](C)CC1 ZINC000653127332 409839417 /nfs/dbraw/zinc/83/94/17/409839417.db2.gz NHNMHVXFOZSVCP-JTQLQIEISA-N 2 1 228.340 -0.961 20 0 BBADMP C[NH+](C)CC[C@@H](N)C(=O)N1CC[NH+](C)CC1 ZINC000653127333 409838918 /nfs/dbraw/zinc/83/89/18/409838918.db2.gz NHNMHVXFOZSVCP-SNVBAGLBSA-N 2 1 228.340 -0.961 20 0 BBADMP C[NH2+]CCN(C)C(=O)CC(F)(F)C[NH3+] ZINC000653127590 409838598 /nfs/dbraw/zinc/83/85/98/409838598.db2.gz MJSRHVOCSAVQJV-UHFFFAOYSA-N 2 1 209.240 -0.352 20 0 BBADMP [NH3+]CC(F)(F)CC(=O)NCC1C[NH2+]C1 ZINC000653127638 409838556 /nfs/dbraw/zinc/83/85/56/409838556.db2.gz PZZCWEJCVIDVON-UHFFFAOYSA-N 2 1 207.224 -0.694 20 0 BBADMP [NH3+]CC(F)(F)CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000653142367 409865753 /nfs/dbraw/zinc/86/57/53/409865753.db2.gz IXIPACCXJOTWRP-BQBZGAKWSA-N 2 1 239.241 -0.213 20 0 BBADMP [NH3+]CC1(CCNC(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000653215744 491128408 /nfs/dbraw/zinc/12/84/08/491128408.db2.gz YVRPMXBKXODTPE-MRVPVSSYSA-N 2 1 229.349 -0.106 20 0 BBADMP [NH3+]CC1(CCNC(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000653215745 491128410 /nfs/dbraw/zinc/12/84/10/491128410.db2.gz YVRPMXBKXODTPE-QMMMGPOBSA-N 2 1 229.349 -0.106 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+](C[C@H](C)O)[C@@H](C)CO ZINC000653635376 411151700 /nfs/dbraw/zinc/15/17/00/411151700.db2.gz IYRLJIGTBYREAG-SRVKXCTJSA-N 2 1 248.367 -0.637 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+](C[C@H](C)O)[C@@H](C)CO ZINC000653635376 411151696 /nfs/dbraw/zinc/15/16/96/411151696.db2.gz IYRLJIGTBYREAG-SRVKXCTJSA-N 2 1 248.367 -0.637 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+](C[C@H](C)O)[C@@H](C)CO ZINC000653635376 411151693 /nfs/dbraw/zinc/15/16/93/411151693.db2.gz IYRLJIGTBYREAG-SRVKXCTJSA-N 2 1 248.367 -0.637 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+](C[C@H](C)O)[C@@H](C)CO ZINC000653635376 411151690 /nfs/dbraw/zinc/15/16/90/411151690.db2.gz IYRLJIGTBYREAG-SRVKXCTJSA-N 2 1 248.367 -0.637 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000653635377 411151479 /nfs/dbraw/zinc/15/14/79/411151479.db2.gz IYRLJIGTBYREAG-TUAOUCFPSA-N 2 1 248.367 -0.637 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000653635377 411151478 /nfs/dbraw/zinc/15/14/78/411151478.db2.gz IYRLJIGTBYREAG-TUAOUCFPSA-N 2 1 248.367 -0.637 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+](C[C@@H](C)O)[C@@H](C)CO ZINC000653635377 411151477 /nfs/dbraw/zinc/15/14/77/411151477.db2.gz IYRLJIGTBYREAG-TUAOUCFPSA-N 2 1 248.367 -0.637 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+](C[C@@H](C)O)[C@@H](C)CO ZINC000653635377 411151476 /nfs/dbraw/zinc/15/14/76/411151476.db2.gz IYRLJIGTBYREAG-TUAOUCFPSA-N 2 1 248.367 -0.637 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+](C[C@@H](C)O)[C@H](C)CO ZINC000653635378 411151114 /nfs/dbraw/zinc/15/11/14/411151114.db2.gz IYRLJIGTBYREAG-UTUOFQBUSA-N 2 1 248.367 -0.637 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+](C[C@@H](C)O)[C@H](C)CO ZINC000653635378 411151112 /nfs/dbraw/zinc/15/11/12/411151112.db2.gz IYRLJIGTBYREAG-UTUOFQBUSA-N 2 1 248.367 -0.637 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+](C[C@@H](C)O)[C@H](C)CO ZINC000653635378 411151111 /nfs/dbraw/zinc/15/11/11/411151111.db2.gz IYRLJIGTBYREAG-UTUOFQBUSA-N 2 1 248.367 -0.637 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+](C[C@@H](C)O)[C@H](C)CO ZINC000653635378 411151109 /nfs/dbraw/zinc/15/11/09/411151109.db2.gz IYRLJIGTBYREAG-UTUOFQBUSA-N 2 1 248.367 -0.637 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+](C[C@H](C)O)[C@H](C)CO ZINC000653635379 411151410 /nfs/dbraw/zinc/15/14/10/411151410.db2.gz IYRLJIGTBYREAG-WOPDTQHZSA-N 2 1 248.367 -0.637 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+](C[C@H](C)O)[C@H](C)CO ZINC000653635379 411151408 /nfs/dbraw/zinc/15/14/08/411151408.db2.gz IYRLJIGTBYREAG-WOPDTQHZSA-N 2 1 248.367 -0.637 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+](C[C@H](C)O)[C@H](C)CO ZINC000653635379 411151406 /nfs/dbraw/zinc/15/14/06/411151406.db2.gz IYRLJIGTBYREAG-WOPDTQHZSA-N 2 1 248.367 -0.637 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+](C[C@H](C)O)[C@H](C)CO ZINC000653635379 411151404 /nfs/dbraw/zinc/15/14/04/411151404.db2.gz IYRLJIGTBYREAG-WOPDTQHZSA-N 2 1 248.367 -0.637 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000653676518 411167454 /nfs/dbraw/zinc/16/74/54/411167454.db2.gz NAQMGWDMTXWNPH-GHMZBOCLSA-N 2 1 243.351 -0.504 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000653676518 411167452 /nfs/dbraw/zinc/16/74/52/411167452.db2.gz NAQMGWDMTXWNPH-GHMZBOCLSA-N 2 1 243.351 -0.504 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CC(N)=O)C1 ZINC000653676518 411167449 /nfs/dbraw/zinc/16/74/49/411167449.db2.gz NAQMGWDMTXWNPH-GHMZBOCLSA-N 2 1 243.351 -0.504 20 0 BBADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CC(N)=O)C1 ZINC000653676518 411167447 /nfs/dbraw/zinc/16/74/47/411167447.db2.gz NAQMGWDMTXWNPH-GHMZBOCLSA-N 2 1 243.351 -0.504 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000653676519 411167323 /nfs/dbraw/zinc/16/73/23/411167323.db2.gz NAQMGWDMTXWNPH-MNOVXSKESA-N 2 1 243.351 -0.504 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000653676519 411167321 /nfs/dbraw/zinc/16/73/21/411167321.db2.gz NAQMGWDMTXWNPH-MNOVXSKESA-N 2 1 243.351 -0.504 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CC(N)=O)C1 ZINC000653676519 411167319 /nfs/dbraw/zinc/16/73/19/411167319.db2.gz NAQMGWDMTXWNPH-MNOVXSKESA-N 2 1 243.351 -0.504 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](CC(N)=O)C1 ZINC000653676519 411167317 /nfs/dbraw/zinc/16/73/17/411167317.db2.gz NAQMGWDMTXWNPH-MNOVXSKESA-N 2 1 243.351 -0.504 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000653676520 411167277 /nfs/dbraw/zinc/16/72/77/411167277.db2.gz NAQMGWDMTXWNPH-QWRGUYRKSA-N 2 1 243.351 -0.504 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000653676520 411167275 /nfs/dbraw/zinc/16/72/75/411167275.db2.gz NAQMGWDMTXWNPH-QWRGUYRKSA-N 2 1 243.351 -0.504 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CC(N)=O)C1 ZINC000653676520 411167273 /nfs/dbraw/zinc/16/72/73/411167273.db2.gz NAQMGWDMTXWNPH-QWRGUYRKSA-N 2 1 243.351 -0.504 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CC(N)=O)C1 ZINC000653676520 411167272 /nfs/dbraw/zinc/16/72/72/411167272.db2.gz NAQMGWDMTXWNPH-QWRGUYRKSA-N 2 1 243.351 -0.504 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000653676521 411167761 /nfs/dbraw/zinc/16/77/61/411167761.db2.gz NAQMGWDMTXWNPH-WDEREUQCSA-N 2 1 243.351 -0.504 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000653676521 411167756 /nfs/dbraw/zinc/16/77/56/411167756.db2.gz NAQMGWDMTXWNPH-WDEREUQCSA-N 2 1 243.351 -0.504 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CC(N)=O)C1 ZINC000653676521 411167752 /nfs/dbraw/zinc/16/77/52/411167752.db2.gz NAQMGWDMTXWNPH-WDEREUQCSA-N 2 1 243.351 -0.504 20 0 BBADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CC(N)=O)C1 ZINC000653676521 411167748 /nfs/dbraw/zinc/16/77/48/411167748.db2.gz NAQMGWDMTXWNPH-WDEREUQCSA-N 2 1 243.351 -0.504 20 0 BBADMP C[NH+](C)[C@H]1CN(C[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000653684902 411178033 /nfs/dbraw/zinc/17/80/33/411178033.db2.gz HDYRHCCKNYPVFN-SRVKXCTJSA-N 2 1 227.352 -0.313 20 0 BBADMP C[NH+](C)[C@H]1CN(C[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000653684903 411178242 /nfs/dbraw/zinc/17/82/42/411178242.db2.gz HDYRHCCKNYPVFN-WOPDTQHZSA-N 2 1 227.352 -0.313 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000653694476 411186083 /nfs/dbraw/zinc/18/60/83/411186083.db2.gz GMXBHSWEXUOKMR-NNYUYHANSA-N 2 1 228.336 -0.531 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000653694476 411186081 /nfs/dbraw/zinc/18/60/81/411186081.db2.gz GMXBHSWEXUOKMR-NNYUYHANSA-N 2 1 228.336 -0.531 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000653694476 411186078 /nfs/dbraw/zinc/18/60/78/411186078.db2.gz GMXBHSWEXUOKMR-NNYUYHANSA-N 2 1 228.336 -0.531 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000653694476 411186076 /nfs/dbraw/zinc/18/60/76/411186076.db2.gz GMXBHSWEXUOKMR-NNYUYHANSA-N 2 1 228.336 -0.531 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000653694477 411186227 /nfs/dbraw/zinc/18/62/27/411186227.db2.gz GMXBHSWEXUOKMR-WYUUTHIRSA-N 2 1 228.336 -0.531 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000653694477 411186223 /nfs/dbraw/zinc/18/62/23/411186223.db2.gz GMXBHSWEXUOKMR-WYUUTHIRSA-N 2 1 228.336 -0.531 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000653694477 411186221 /nfs/dbraw/zinc/18/62/21/411186221.db2.gz GMXBHSWEXUOKMR-WYUUTHIRSA-N 2 1 228.336 -0.531 20 0 BBADMP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000653694477 411186217 /nfs/dbraw/zinc/18/62/17/411186217.db2.gz GMXBHSWEXUOKMR-WYUUTHIRSA-N 2 1 228.336 -0.531 20 0 BBADMP CC[NH+](C)C[C@H](O)CN1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000653694709 411186681 /nfs/dbraw/zinc/18/66/81/411186681.db2.gz OHURSVMTUQQHGU-AGIUHOORSA-N 2 1 241.379 -0.065 20 0 BBADMP CC[NH+](C)C[C@H](O)CN1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000653694709 411186678 /nfs/dbraw/zinc/18/66/78/411186678.db2.gz OHURSVMTUQQHGU-AGIUHOORSA-N 2 1 241.379 -0.065 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@@H]2C[NH+](C)C[C@@H]21 ZINC000653694709 411186676 /nfs/dbraw/zinc/18/66/76/411186676.db2.gz OHURSVMTUQQHGU-AGIUHOORSA-N 2 1 241.379 -0.065 20 0 BBADMP CC[NH+](C)C[C@H](O)CN1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000653694710 411186623 /nfs/dbraw/zinc/18/66/23/411186623.db2.gz OHURSVMTUQQHGU-AVGNSLFASA-N 2 1 241.379 -0.065 20 0 BBADMP CC[NH+](C)C[C@H](O)CN1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000653694710 411186621 /nfs/dbraw/zinc/18/66/21/411186621.db2.gz OHURSVMTUQQHGU-AVGNSLFASA-N 2 1 241.379 -0.065 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC000653694710 411186618 /nfs/dbraw/zinc/18/66/18/411186618.db2.gz OHURSVMTUQQHGU-AVGNSLFASA-N 2 1 241.379 -0.065 20 0 BBADMP CC[NH+](C)C[C@H](O)CN1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000653694711 411186531 /nfs/dbraw/zinc/18/65/31/411186531.db2.gz OHURSVMTUQQHGU-FRRDWIJNSA-N 2 1 241.379 -0.065 20 0 BBADMP CC[NH+](C)C[C@H](O)CN1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000653694711 411186528 /nfs/dbraw/zinc/18/65/28/411186528.db2.gz OHURSVMTUQQHGU-FRRDWIJNSA-N 2 1 241.379 -0.065 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@@H]2C[NH+](C)C[C@H]21 ZINC000653694711 411186527 /nfs/dbraw/zinc/18/65/27/411186527.db2.gz OHURSVMTUQQHGU-FRRDWIJNSA-N 2 1 241.379 -0.065 20 0 BBADMP CC[NH+](C)C[C@H](O)CN1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000653694712 411186541 /nfs/dbraw/zinc/18/65/41/411186541.db2.gz OHURSVMTUQQHGU-RWMBFGLXSA-N 2 1 241.379 -0.065 20 0 BBADMP CC[NH+](C)C[C@H](O)CN1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000653694712 411186539 /nfs/dbraw/zinc/18/65/39/411186539.db2.gz OHURSVMTUQQHGU-RWMBFGLXSA-N 2 1 241.379 -0.065 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@H]2C[NH+](C)C[C@H]21 ZINC000653694712 411186536 /nfs/dbraw/zinc/18/65/36/411186536.db2.gz OHURSVMTUQQHGU-RWMBFGLXSA-N 2 1 241.379 -0.065 20 0 BBADMP Cc1[nH+]ccn1CCCC[NH2+]C(CO)CO ZINC000653734899 411279254 /nfs/dbraw/zinc/27/92/54/411279254.db2.gz UCNKUJKITSYFSB-UHFFFAOYSA-N 2 1 227.308 -0.085 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](O)[C@H]1C ZINC000653750740 411323427 /nfs/dbraw/zinc/32/34/27/411323427.db2.gz QKYIIFXZMTVIBJ-GMTAPVOTSA-N 2 1 216.325 -0.246 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000653750740 411323425 /nfs/dbraw/zinc/32/34/25/411323425.db2.gz QKYIIFXZMTVIBJ-GMTAPVOTSA-N 2 1 216.325 -0.246 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)[C@H]1C ZINC000653750740 411323423 /nfs/dbraw/zinc/32/34/23/411323423.db2.gz QKYIIFXZMTVIBJ-GMTAPVOTSA-N 2 1 216.325 -0.246 20 0 BBADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)[C@H]1C ZINC000653750740 411323418 /nfs/dbraw/zinc/32/34/18/411323418.db2.gz QKYIIFXZMTVIBJ-GMTAPVOTSA-N 2 1 216.325 -0.246 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](O)[C@H]1C ZINC000653750741 411323474 /nfs/dbraw/zinc/32/34/74/411323474.db2.gz QKYIIFXZMTVIBJ-OUAUKWLOSA-N 2 1 216.325 -0.246 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000653750741 411323473 /nfs/dbraw/zinc/32/34/73/411323473.db2.gz QKYIIFXZMTVIBJ-OUAUKWLOSA-N 2 1 216.325 -0.246 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)[C@H]1C ZINC000653750741 411323470 /nfs/dbraw/zinc/32/34/70/411323470.db2.gz QKYIIFXZMTVIBJ-OUAUKWLOSA-N 2 1 216.325 -0.246 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)[C@H]1C ZINC000653750741 411323468 /nfs/dbraw/zinc/32/34/68/411323468.db2.gz QKYIIFXZMTVIBJ-OUAUKWLOSA-N 2 1 216.325 -0.246 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)CN1C[C@H](O)C[C@@H]1COC ZINC000653778681 488181854 /nfs/dbraw/zinc/18/18/54/488181854.db2.gz KSUXQHVROSVDCS-IJLUTSLNSA-N 2 1 246.351 -0.619 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)CN1C[C@H](O)C[C@H]1COC ZINC000653778683 488181418 /nfs/dbraw/zinc/18/14/18/488181418.db2.gz KSUXQHVROSVDCS-QJPTWQEYSA-N 2 1 246.351 -0.619 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1C[C@H](O)C[C@H]1COC ZINC000653778685 488181300 /nfs/dbraw/zinc/18/13/00/488181300.db2.gz KSUXQHVROSVDCS-TUAOUCFPSA-N 2 1 246.351 -0.619 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1C[C@H](O)C[C@@H]1COC ZINC000653778687 488181935 /nfs/dbraw/zinc/18/19/35/488181935.db2.gz KSUXQHVROSVDCS-UTUOFQBUSA-N 2 1 246.351 -0.619 20 0 BBADMP C[NH+](C)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000655094739 411494482 /nfs/dbraw/zinc/49/44/82/411494482.db2.gz WPKFSNRMJYRICO-DCAQKATOSA-N 2 1 241.335 -0.929 20 0 BBADMP C[NH+](C)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000655094741 411494072 /nfs/dbraw/zinc/49/40/72/411494072.db2.gz WPKFSNRMJYRICO-VWYCJHECSA-N 2 1 241.335 -0.929 20 0 BBADMP C[C@@H](C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[NH+](C)C ZINC000655296987 409832393 /nfs/dbraw/zinc/83/23/93/409832393.db2.gz XJHJGBGCADPSPE-GARJFASQSA-N 2 1 241.335 -0.786 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)CC[NH2+]C1CC1 ZINC000655454059 410322221 /nfs/dbraw/zinc/32/22/21/410322221.db2.gz VUADXSRNIRIZAC-UHFFFAOYSA-N 2 1 221.251 -0.161 20 0 BBADMP C[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCCOCC1 ZINC000655471814 410693476 /nfs/dbraw/zinc/69/34/76/410693476.db2.gz YNNVSSPDZKJZAX-JTQLQIEISA-N 2 1 229.324 -0.567 20 0 BBADMP C[C@@H](CNC(=O)CC[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488990 410794908 /nfs/dbraw/zinc/79/49/08/410794908.db2.gz KRRQUMPZDKCRTM-GARJFASQSA-N 2 1 243.351 -0.051 20 0 BBADMP C[C@@H](CNC(=O)CC[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488990 410794903 /nfs/dbraw/zinc/79/49/03/410794903.db2.gz KRRQUMPZDKCRTM-GARJFASQSA-N 2 1 243.351 -0.051 20 0 BBADMP C[C@H](CNC(=O)CC[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488992 410794958 /nfs/dbraw/zinc/79/49/58/410794958.db2.gz KRRQUMPZDKCRTM-MXWKQRLJSA-N 2 1 243.351 -0.051 20 0 BBADMP C[C@H](CNC(=O)CC[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488992 410794955 /nfs/dbraw/zinc/79/49/55/410794955.db2.gz KRRQUMPZDKCRTM-MXWKQRLJSA-N 2 1 243.351 -0.051 20 0 BBADMP C[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655489416 410797009 /nfs/dbraw/zinc/79/70/09/410797009.db2.gz RBLRMNVOTYMMFQ-CHWFTXMASA-N 2 1 243.351 -0.053 20 0 BBADMP C[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655489417 410798496 /nfs/dbraw/zinc/79/84/96/410798496.db2.gz RBLRMNVOTYMMFQ-MMWGEVLESA-N 2 1 243.351 -0.053 20 0 BBADMP C[C@@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655489418 410798666 /nfs/dbraw/zinc/79/86/66/410798666.db2.gz RBLRMNVOTYMMFQ-UKKRHICBSA-N 2 1 243.351 -0.053 20 0 BBADMP C[C@H](CNC(=O)[C@H](C)[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655489419 410798687 /nfs/dbraw/zinc/79/86/87/410798687.db2.gz RBLRMNVOTYMMFQ-ZNSHCXBVSA-N 2 1 243.351 -0.053 20 0 BBADMP [NH3+]C[C@H](NC(=O)CC(F)(F)C[NH3+])C(F)(F)F ZINC000655518587 487901246 /nfs/dbraw/zinc/90/12/46/487901246.db2.gz HOKFBYWASNPMSE-BYPYZUCNSA-N 2 1 249.183 -0.024 20 0 BBADMP [NH3+]C[C@@H](NC(=O)CC(F)(F)C[NH3+])C(F)(F)F ZINC000655518588 487901579 /nfs/dbraw/zinc/90/15/79/487901579.db2.gz HOKFBYWASNPMSE-SCSAIBSYSA-N 2 1 249.183 -0.024 20 0 BBADMP O[C@@H]1C[C@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CCN2C1 ZINC000655946470 411161189 /nfs/dbraw/zinc/16/11/89/411161189.db2.gz LWLLYGBCDWJHCU-FRRDWIJNSA-N 2 1 239.363 -0.263 20 0 BBADMP O[C@@H]1C[C@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)CCN2C1 ZINC000655946470 411161187 /nfs/dbraw/zinc/16/11/87/411161187.db2.gz LWLLYGBCDWJHCU-FRRDWIJNSA-N 2 1 239.363 -0.263 20 0 BBADMP O[C@@H]1C[C@H]2CN(CC[C@H]3CC[NH2+]C3)CC[N@H+]2C1 ZINC000655946470 411161184 /nfs/dbraw/zinc/16/11/84/411161184.db2.gz LWLLYGBCDWJHCU-FRRDWIJNSA-N 2 1 239.363 -0.263 20 0 BBADMP O[C@@H]1C[C@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CCN2C1 ZINC000655946474 411161765 /nfs/dbraw/zinc/16/17/65/411161765.db2.gz LWLLYGBCDWJHCU-RWMBFGLXSA-N 2 1 239.363 -0.263 20 0 BBADMP O[C@@H]1C[C@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)CCN2C1 ZINC000655946474 411161761 /nfs/dbraw/zinc/16/17/61/411161761.db2.gz LWLLYGBCDWJHCU-RWMBFGLXSA-N 2 1 239.363 -0.263 20 0 BBADMP O[C@@H]1C[C@H]2CN(CC[C@@H]3CC[NH2+]C3)CC[N@H+]2C1 ZINC000655946474 411161758 /nfs/dbraw/zinc/16/17/58/411161758.db2.gz LWLLYGBCDWJHCU-RWMBFGLXSA-N 2 1 239.363 -0.263 20 0 BBADMP C[C@@H](O)C[N@@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000655948969 411161228 /nfs/dbraw/zinc/16/12/28/411161228.db2.gz JFMFUOOPGQIPCX-LLVKDONJSA-N 2 1 227.352 -0.263 20 0 BBADMP C[C@H](O)C[N@@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000655948970 411161238 /nfs/dbraw/zinc/16/12/38/411161238.db2.gz JFMFUOOPGQIPCX-NSHDSACASA-N 2 1 227.352 -0.263 20 0 BBADMP C[C@@H](O)C[N@@H+](CCOCC[NH3+])C1CC1 ZINC000655949315 411161548 /nfs/dbraw/zinc/16/15/48/411161548.db2.gz TXYKJSUBMWUQPW-SECBINFHSA-N 2 1 202.298 -0.193 20 0 BBADMP C[C@H](O)C[N@@H+](CCOCC[NH3+])C1CC1 ZINC000655949316 411161483 /nfs/dbraw/zinc/16/14/83/411161483.db2.gz TXYKJSUBMWUQPW-VIFPVBQESA-N 2 1 202.298 -0.193 20 0 BBADMP CC(C)([NH3+])CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656193884 411199874 /nfs/dbraw/zinc/19/98/74/411199874.db2.gz WXOHWINZWUCPIQ-VHSXEESVSA-N 2 1 213.325 -0.526 20 0 BBADMP C[C@]1(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH2+]C1 ZINC000656193947 411199229 /nfs/dbraw/zinc/19/92/29/411199229.db2.gz ZIGUTXLATYUENI-XQQFMLRXSA-N 2 1 239.363 -0.263 20 0 BBADMP C[C@@]1(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH2+]C1 ZINC000656193948 411200073 /nfs/dbraw/zinc/20/00/73/411200073.db2.gz ZIGUTXLATYUENI-YNEHKIRRSA-N 2 1 239.363 -0.263 20 0 BBADMP C[C@@H](CNC(=O)N1CC[NH+](C)CC1)[NH+](C)C ZINC000656195486 411200655 /nfs/dbraw/zinc/20/06/55/411200655.db2.gz ASCBFNJYQRFUEB-JTQLQIEISA-N 2 1 228.340 -0.107 20 0 BBADMP CN(C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000656198411 411203343 /nfs/dbraw/zinc/20/33/43/411203343.db2.gz UROANMCYANUOLW-GARJFASQSA-N 2 1 215.341 -0.232 20 0 BBADMP CN(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656198413 411203265 /nfs/dbraw/zinc/20/32/65/411203265.db2.gz UROANMCYANUOLW-GMTAPVOTSA-N 2 1 215.341 -0.232 20 0 BBADMP CN(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000656198414 411202896 /nfs/dbraw/zinc/20/28/96/411202896.db2.gz UROANMCYANUOLW-HBNTYKKESA-N 2 1 215.341 -0.232 20 0 BBADMP CN(C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000656198415 411202838 /nfs/dbraw/zinc/20/28/38/411202838.db2.gz UROANMCYANUOLW-OUAUKWLOSA-N 2 1 215.341 -0.232 20 0 BBADMP [NH3+]CCCn1cc(C[N@H+]2CCC[C@@H]2CO)nn1 ZINC000656435788 411247019 /nfs/dbraw/zinc/24/70/19/411247019.db2.gz IWFWLLSSAGLDFO-LLVKDONJSA-N 2 1 239.323 -0.416 20 0 BBADMP [NH3+]CCCn1cc(C[N@@H+]2CCC[C@@H]2CO)nn1 ZINC000656435788 411247017 /nfs/dbraw/zinc/24/70/17/411247017.db2.gz IWFWLLSSAGLDFO-LLVKDONJSA-N 2 1 239.323 -0.416 20 0 BBADMP [NH3+]CCCn1cc(C[N@H+]2CCC[C@H]2CO)nn1 ZINC000656435789 411246929 /nfs/dbraw/zinc/24/69/29/411246929.db2.gz IWFWLLSSAGLDFO-NSHDSACASA-N 2 1 239.323 -0.416 20 0 BBADMP [NH3+]CCCn1cc(C[N@@H+]2CCC[C@H]2CO)nn1 ZINC000656435789 411246928 /nfs/dbraw/zinc/24/69/28/411246928.db2.gz IWFWLLSSAGLDFO-NSHDSACASA-N 2 1 239.323 -0.416 20 0 BBADMP [NH3+]C[C@H](O)CCc1cn(-c2cc[nH+]cc2)nn1 ZINC000656440333 411257205 /nfs/dbraw/zinc/25/72/05/411257205.db2.gz DQOLQKLSQZHCMG-LLVKDONJSA-N 2 1 233.275 -0.086 20 0 BBADMP [NH3+]C[C@@H](O)CCc1cn(-c2cc[nH+]cc2)nn1 ZINC000656440334 411257308 /nfs/dbraw/zinc/25/73/08/411257308.db2.gz DQOLQKLSQZHCMG-NSHDSACASA-N 2 1 233.275 -0.086 20 0 BBADMP [NH3+][C@@H](CO)Cc1cn(-c2cc[nH+]cc2)nn1 ZINC000656441241 411259953 /nfs/dbraw/zinc/25/99/53/411259953.db2.gz WMHZGAIDSCDZLO-MRVPVSSYSA-N 2 1 219.248 -0.476 20 0 BBADMP [NH3+][C@H](CO)Cc1cn(-c2cc[nH+]cc2)nn1 ZINC000656441242 411259121 /nfs/dbraw/zinc/25/91/21/411259121.db2.gz WMHZGAIDSCDZLO-QMMMGPOBSA-N 2 1 219.248 -0.476 20 0 BBADMP C[C@@H](C[NH3+])n1cc(C[N@H+]2CCC[C@@H]2CO)nn1 ZINC000656457539 411266371 /nfs/dbraw/zinc/26/63/71/411266371.db2.gz CGXKMFYQMZOJTH-GXSJLCMTSA-N 2 1 239.323 -0.246 20 0 BBADMP C[C@@H](C[NH3+])n1cc(C[N@@H+]2CCC[C@@H]2CO)nn1 ZINC000656457539 411266370 /nfs/dbraw/zinc/26/63/70/411266370.db2.gz CGXKMFYQMZOJTH-GXSJLCMTSA-N 2 1 239.323 -0.246 20 0 BBADMP C[C@H](C[NH3+])n1cc(C[N@H+]2CCC[C@H]2CO)nn1 ZINC000656457541 411266269 /nfs/dbraw/zinc/26/62/69/411266269.db2.gz CGXKMFYQMZOJTH-KOLCDFICSA-N 2 1 239.323 -0.246 20 0 BBADMP C[C@H](C[NH3+])n1cc(C[N@@H+]2CCC[C@H]2CO)nn1 ZINC000656457541 411266267 /nfs/dbraw/zinc/26/62/67/411266267.db2.gz CGXKMFYQMZOJTH-KOLCDFICSA-N 2 1 239.323 -0.246 20 0 BBADMP C[C@H](C[NH3+])n1cc(C[N@H+]2CCC[C@@H]2CO)nn1 ZINC000656457543 411266347 /nfs/dbraw/zinc/26/63/47/411266347.db2.gz CGXKMFYQMZOJTH-MWLCHTKSSA-N 2 1 239.323 -0.246 20 0 BBADMP C[C@H](C[NH3+])n1cc(C[N@@H+]2CCC[C@@H]2CO)nn1 ZINC000656457543 411266345 /nfs/dbraw/zinc/26/63/45/411266345.db2.gz CGXKMFYQMZOJTH-MWLCHTKSSA-N 2 1 239.323 -0.246 20 0 BBADMP C[C@@H](C[NH3+])n1cc(C[N@H+]2CCC[C@H]2CO)nn1 ZINC000656457545 411266848 /nfs/dbraw/zinc/26/68/48/411266848.db2.gz CGXKMFYQMZOJTH-ONGXEEELSA-N 2 1 239.323 -0.246 20 0 BBADMP C[C@@H](C[NH3+])n1cc(C[N@@H+]2CCC[C@H]2CO)nn1 ZINC000656457545 411266846 /nfs/dbraw/zinc/26/68/46/411266846.db2.gz CGXKMFYQMZOJTH-ONGXEEELSA-N 2 1 239.323 -0.246 20 0 BBADMP C[C@H]([NH3+])Cn1cc(C[N@H+]2CCC[C@@H]2CO)nn1 ZINC000656457727 411266730 /nfs/dbraw/zinc/26/67/30/411266730.db2.gz ZQEIFXOJIBTGEQ-GXSJLCMTSA-N 2 1 239.323 -0.418 20 0 BBADMP C[C@H]([NH3+])Cn1cc(C[N@@H+]2CCC[C@@H]2CO)nn1 ZINC000656457727 411266725 /nfs/dbraw/zinc/26/67/25/411266725.db2.gz ZQEIFXOJIBTGEQ-GXSJLCMTSA-N 2 1 239.323 -0.418 20 0 BBADMP C[C@H]([NH3+])Cn1cc(C[N@H+]2CCC[C@H]2CO)nn1 ZINC000656457729 411267022 /nfs/dbraw/zinc/26/70/22/411267022.db2.gz ZQEIFXOJIBTGEQ-ONGXEEELSA-N 2 1 239.323 -0.418 20 0 BBADMP C[C@H]([NH3+])Cn1cc(C[N@@H+]2CCC[C@H]2CO)nn1 ZINC000656457729 411267019 /nfs/dbraw/zinc/26/70/19/411267019.db2.gz ZQEIFXOJIBTGEQ-ONGXEEELSA-N 2 1 239.323 -0.418 20 0 BBADMP [NH3+]CCc1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000656459479 411268913 /nfs/dbraw/zinc/26/89/13/411268913.db2.gz UZJZQIIQDLGWRK-UHFFFAOYSA-N 2 1 219.248 -0.344 20 0 BBADMP C[C@@H]([NH3+])Cn1cc(C[N@H+]2CCC[C@H]2CO)nn1 ZINC000656465082 411272485 /nfs/dbraw/zinc/27/24/85/411272485.db2.gz ZQEIFXOJIBTGEQ-KOLCDFICSA-N 2 1 239.323 -0.418 20 0 BBADMP C[C@@H]([NH3+])Cn1cc(C[N@@H+]2CCC[C@H]2CO)nn1 ZINC000656465082 411272484 /nfs/dbraw/zinc/27/24/84/411272484.db2.gz ZQEIFXOJIBTGEQ-KOLCDFICSA-N 2 1 239.323 -0.418 20 0 BBADMP C[C@@H]([NH3+])Cn1cc(C[N@H+]2CCC[C@@H]2CO)nn1 ZINC000656465083 411272605 /nfs/dbraw/zinc/27/26/05/411272605.db2.gz ZQEIFXOJIBTGEQ-MWLCHTKSSA-N 2 1 239.323 -0.418 20 0 BBADMP C[C@@H]([NH3+])Cn1cc(C[N@@H+]2CCC[C@@H]2CO)nn1 ZINC000656465083 411272603 /nfs/dbraw/zinc/27/26/03/411272603.db2.gz ZQEIFXOJIBTGEQ-MWLCHTKSSA-N 2 1 239.323 -0.418 20 0 BBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(N)=O ZINC000656540370 411293809 /nfs/dbraw/zinc/29/38/09/411293809.db2.gz GTSZPYYYUACELI-VIFPVBQESA-N 2 1 216.329 -0.073 20 0 BBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(N)=O ZINC000656540370 411293805 /nfs/dbraw/zinc/29/38/05/411293805.db2.gz GTSZPYYYUACELI-VIFPVBQESA-N 2 1 216.329 -0.073 20 0 BBADMP [NH3+]CCC[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000656787702 411365587 /nfs/dbraw/zinc/36/55/87/411365587.db2.gz SFLSCWHYFXFUEC-JTQLQIEISA-N 2 1 209.297 -0.051 20 0 BBADMP [NH3+]CCC[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000656787703 411365955 /nfs/dbraw/zinc/36/59/55/411365955.db2.gz SFLSCWHYFXFUEC-SNVBAGLBSA-N 2 1 209.297 -0.051 20 0 BBADMP C[C@H](Cn1cncn1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000657974342 411184981 /nfs/dbraw/zinc/18/49/81/411184981.db2.gz OAWSDOISTSIADT-GHMZBOCLSA-N 2 1 239.323 -0.677 20 0 BBADMP C[C@H](Cn1cncn1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000657974342 411184979 /nfs/dbraw/zinc/18/49/79/411184979.db2.gz OAWSDOISTSIADT-GHMZBOCLSA-N 2 1 239.323 -0.677 20 0 BBADMP C[C@H](Cn1cncn1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000657974343 411184987 /nfs/dbraw/zinc/18/49/87/411184987.db2.gz OAWSDOISTSIADT-MNOVXSKESA-N 2 1 239.323 -0.677 20 0 BBADMP C[C@H](Cn1cncn1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000657974343 411184985 /nfs/dbraw/zinc/18/49/85/411184985.db2.gz OAWSDOISTSIADT-MNOVXSKESA-N 2 1 239.323 -0.677 20 0 BBADMP C[C@@H](Cn1cncn1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000657974344 411185003 /nfs/dbraw/zinc/18/50/03/411185003.db2.gz OAWSDOISTSIADT-QWRGUYRKSA-N 2 1 239.323 -0.677 20 0 BBADMP C[C@@H](Cn1cncn1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000657974344 411185001 /nfs/dbraw/zinc/18/50/01/411185001.db2.gz OAWSDOISTSIADT-QWRGUYRKSA-N 2 1 239.323 -0.677 20 0 BBADMP C[C@@H](Cn1cncn1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000657974345 411184998 /nfs/dbraw/zinc/18/49/98/411184998.db2.gz OAWSDOISTSIADT-WDEREUQCSA-N 2 1 239.323 -0.677 20 0 BBADMP C[C@@H](Cn1cncn1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000657974345 411184996 /nfs/dbraw/zinc/18/49/96/411184996.db2.gz OAWSDOISTSIADT-WDEREUQCSA-N 2 1 239.323 -0.677 20 0 BBADMP [NH3+]CCC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659358730 411374988 /nfs/dbraw/zinc/37/49/88/411374988.db2.gz SWFQHIKEHCDFFI-JTQLQIEISA-N 2 1 227.308 -0.732 20 0 BBADMP [NH3+]CCC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659358732 411374901 /nfs/dbraw/zinc/37/49/01/411374901.db2.gz SWFQHIKEHCDFFI-SNVBAGLBSA-N 2 1 227.308 -0.732 20 0 BBADMP C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000659441372 411415407 /nfs/dbraw/zinc/41/54/07/411415407.db2.gz SNQIHXKEVJBTDD-NXEZZACHSA-N 2 1 228.340 -0.012 20 0 BBADMP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000659441373 411415579 /nfs/dbraw/zinc/41/55/79/411415579.db2.gz SNQIHXKEVJBTDD-UWVGGRQHSA-N 2 1 228.340 -0.012 20 0 BBADMP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000659441374 411415509 /nfs/dbraw/zinc/41/55/09/411415509.db2.gz SNQIHXKEVJBTDD-VHSXEESVSA-N 2 1 228.340 -0.012 20 0 BBADMP C[NH2+]C[C@@H](C)NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000659441375 411415595 /nfs/dbraw/zinc/41/55/95/411415595.db2.gz SNQIHXKEVJBTDD-ZJUUUORDSA-N 2 1 228.340 -0.012 20 0 BBADMP C[NH2+]C[C@H](C)NC(=O)NCC[N@@H+](C)CCOC ZINC000659448584 411416292 /nfs/dbraw/zinc/41/62/92/411416292.db2.gz FMNRDLXFBFPMNA-JTQLQIEISA-N 2 1 246.355 -0.528 20 0 BBADMP C[NH2+]C[C@@H](C)NC(=O)NCC[N@@H+](C)CCOC ZINC000659448585 411416348 /nfs/dbraw/zinc/41/63/48/411416348.db2.gz FMNRDLXFBFPMNA-SNVBAGLBSA-N 2 1 246.355 -0.528 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000659448669 411416232 /nfs/dbraw/zinc/41/62/32/411416232.db2.gz JHYIETYHRXCMBQ-JTQLQIEISA-N 2 1 244.339 -0.774 20 0 BBADMP C[NH2+]C[C@@H](C)NC(=O)NCC[N@@H+](C)C1CC1 ZINC000659454898 411416534 /nfs/dbraw/zinc/41/65/34/411416534.db2.gz PPJUSRFFSKQGNK-SECBINFHSA-N 2 1 228.340 -0.012 20 0 BBADMP C[NH2+]C[C@H](C)NC(=O)NCC[N@@H+](C)C1CC1 ZINC000659454899 411416568 /nfs/dbraw/zinc/41/65/68/411416568.db2.gz PPJUSRFFSKQGNK-VIFPVBQESA-N 2 1 228.340 -0.012 20 0 BBADMP CCC[N@H+]1CC[C@@H](NC(=O)NCC[NH3+])C1 ZINC000659508845 411463974 /nfs/dbraw/zinc/46/39/74/411463974.db2.gz ZRNMXRKNDYMZBV-SECBINFHSA-N 2 1 214.313 -0.271 20 0 BBADMP CCC[N@H+]1CC[C@H](NC(=O)NCC[NH3+])C1 ZINC000659508846 411464095 /nfs/dbraw/zinc/46/40/95/411464095.db2.gz ZRNMXRKNDYMZBV-VIFPVBQESA-N 2 1 214.313 -0.271 20 0 BBADMP CCC[N@H+]1CC[C@H](NC(=O)NCC[NH2+]C)C1 ZINC000659515219 411426576 /nfs/dbraw/zinc/42/65/76/411426576.db2.gz RBHZLVMRBQMDEG-JTQLQIEISA-N 2 1 228.340 -0.011 20 0 BBADMP CCC[N@H+]1CC[C@@H](NC(=O)NCC[NH2+]C)C1 ZINC000659515220 411426292 /nfs/dbraw/zinc/42/62/92/411426292.db2.gz RBHZLVMRBQMDEG-SNVBAGLBSA-N 2 1 228.340 -0.011 20 0 BBADMP CCC[N@H+]1CC[C@@H](NC(=O)NCC2C[NH2+]C2)C1 ZINC000659528733 411429123 /nfs/dbraw/zinc/42/91/23/411429123.db2.gz WXUOXBKKNGOLAH-LLVKDONJSA-N 2 1 240.351 -0.011 20 0 BBADMP CCC[N@H+]1CC[C@H](NC(=O)NCC2C[NH2+]C2)C1 ZINC000659528734 411429360 /nfs/dbraw/zinc/42/93/60/411429360.db2.gz WXUOXBKKNGOLAH-NSHDSACASA-N 2 1 240.351 -0.011 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659531664 487803070 /nfs/dbraw/zinc/80/30/70/487803070.db2.gz AMJNCIQMQREUPB-UHFFFAOYSA-N 2 1 248.277 -0.287 20 0 BBADMP CN(CC(C)(C)[NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000659531680 411430383 /nfs/dbraw/zinc/43/03/83/411430383.db2.gz BBSRPZZVCHUJNK-UHFFFAOYSA-N 2 1 238.282 -0.041 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659531719 487813472 /nfs/dbraw/zinc/81/34/72/487813472.db2.gz CVPKDMYLCWWZCO-UHFFFAOYSA-N 2 1 248.277 -0.368 20 0 BBADMP C[NH2+]C[C@H](C)NC(=O)NCC(F)(F)C[NH3+] ZINC000659532400 411493159 /nfs/dbraw/zinc/49/31/59/411493159.db2.gz MLMVXWIVVXIIOK-LURJTMIESA-N 2 1 224.255 -0.513 20 0 BBADMP C[NH2+]C[C@@H](C)NC(=O)NCC(F)(F)C[NH3+] ZINC000659532402 411493299 /nfs/dbraw/zinc/49/32/99/411493299.db2.gz MLMVXWIVVXIIOK-ZCFIWIBFSA-N 2 1 224.255 -0.513 20 0 BBADMP C[NH+]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659620685 411443018 /nfs/dbraw/zinc/44/30/18/411443018.db2.gz NJHLDYFIFOYZID-UHFFFAOYSA-N 2 1 238.335 -0.305 20 0 BBADMP CC[NH+]1CCN(C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659639204 411446223 /nfs/dbraw/zinc/44/62/23/411446223.db2.gz AYUNAAVIIKBOGC-JTQLQIEISA-N 2 1 228.340 -0.059 20 0 BBADMP CC[NH+]1CCN(C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659639206 411446188 /nfs/dbraw/zinc/44/61/88/411446188.db2.gz AYUNAAVIIKBOGC-SNVBAGLBSA-N 2 1 228.340 -0.059 20 0 BBADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H](C)C[NH2+]C ZINC000659639428 411446247 /nfs/dbraw/zinc/44/62/47/411446247.db2.gz KOSHWKRYAAIQGA-JTQLQIEISA-N 2 1 246.355 -0.792 20 0 BBADMP CC[N@@H+](CCO)CCNC(=O)N[C@H](C)C[NH2+]C ZINC000659639429 411446180 /nfs/dbraw/zinc/44/61/80/411446180.db2.gz KOSHWKRYAAIQGA-SNVBAGLBSA-N 2 1 246.355 -0.792 20 0 BBADMP C[NH2+]C[C@@H](C)NC(=O)N1CC[NH+](C)CC1 ZINC000659641389 411440055 /nfs/dbraw/zinc/44/00/55/411440055.db2.gz NKWPBBKKCBAVJM-SECBINFHSA-N 2 1 214.313 -0.449 20 0 BBADMP C[NH2+]C[C@H](C)NC(=O)N1CC[NH+](C)CC1 ZINC000659641390 411440354 /nfs/dbraw/zinc/44/03/54/411440354.db2.gz NKWPBBKKCBAVJM-VIFPVBQESA-N 2 1 214.313 -0.449 20 0 BBADMP C[NH2+]C[C@H](C)NC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000659642484 411447278 /nfs/dbraw/zinc/44/72/78/411447278.db2.gz KXPZCPCAYRNUKU-GXSJLCMTSA-N 2 1 246.330 -0.063 20 0 BBADMP C[NH2+]C[C@@H](C)NC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000659642485 411447311 /nfs/dbraw/zinc/44/73/11/411447311.db2.gz KXPZCPCAYRNUKU-KOLCDFICSA-N 2 1 246.330 -0.063 20 0 BBADMP C[NH2+]C[C@@H](C)NC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000659642486 411446674 /nfs/dbraw/zinc/44/66/74/411446674.db2.gz KXPZCPCAYRNUKU-MWLCHTKSSA-N 2 1 246.330 -0.063 20 0 BBADMP C[NH2+]C[C@H](C)NC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000659642487 411446939 /nfs/dbraw/zinc/44/69/39/411446939.db2.gz KXPZCPCAYRNUKU-ONGXEEELSA-N 2 1 246.330 -0.063 20 0 BBADMP C[NH2+]C[C@H](C)NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000659643867 411447027 /nfs/dbraw/zinc/44/70/27/411447027.db2.gz UROFABHARYYLRG-GARJFASQSA-N 2 1 240.351 -0.060 20 0 BBADMP C[NH2+]C[C@@H](C)NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000659643868 411446847 /nfs/dbraw/zinc/44/68/47/411446847.db2.gz UROFABHARYYLRG-OUAUKWLOSA-N 2 1 240.351 -0.060 20 0 BBADMP c1n[nH]nc1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659849072 411341761 /nfs/dbraw/zinc/34/17/61/411341761.db2.gz FDVZDHPHGJVQPM-DTORHVGOSA-N 2 1 207.281 -0.502 20 0 BBADMP c1n[nH]nc1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659849072 411341760 /nfs/dbraw/zinc/34/17/60/411341760.db2.gz FDVZDHPHGJVQPM-DTORHVGOSA-N 2 1 207.281 -0.502 20 0 BBADMP c1n[nH]nc1CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000659849075 411340497 /nfs/dbraw/zinc/34/04/97/411340497.db2.gz FDVZDHPHGJVQPM-IUCAKERBSA-N 2 1 207.281 -0.502 20 0 BBADMP c1n[nH]nc1CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000659849083 411340362 /nfs/dbraw/zinc/34/03/62/411340362.db2.gz FDVZDHPHGJVQPM-RKDXNWHRSA-N 2 1 207.281 -0.502 20 0 BBADMP CCN1CC[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000659850420 411476539 /nfs/dbraw/zinc/47/65/39/411476539.db2.gz PKNHDXDOMNMTEM-AXFHLTTASA-N 2 1 223.320 -0.242 20 0 BBADMP CCN1CC[C@@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000659850423 411475780 /nfs/dbraw/zinc/47/57/80/411475780.db2.gz PKNHDXDOMNMTEM-OUAUKWLOSA-N 2 1 223.320 -0.242 20 0 BBADMP COC[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OC ZINC000659851073 411476843 /nfs/dbraw/zinc/47/68/43/411476843.db2.gz YNEQFVSLKLQZCN-AXFHLTTASA-N 2 1 214.309 -0.201 20 0 BBADMP COC[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OC ZINC000659851234 411477422 /nfs/dbraw/zinc/47/74/22/411477422.db2.gz YNEQFVSLKLQZCN-OUAUKWLOSA-N 2 1 214.309 -0.201 20 0 BBADMP CC(C)[N@@H+](C)C[C@@H](O)CN1C[C@H](O)C[C@H]1CO ZINC000660300905 411566546 /nfs/dbraw/zinc/56/65/46/411566546.db2.gz VINHKIMBEVZPCQ-QJPTWQEYSA-N 2 1 246.351 -0.885 20 0 BBADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CCC(N)=O ZINC000660547118 411315362 /nfs/dbraw/zinc/31/53/62/411315362.db2.gz RSFXTODFTQRENV-JTQLQIEISA-N 2 1 231.340 -0.505 20 0 BBADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CCC(N)=O ZINC000660547118 411315359 /nfs/dbraw/zinc/31/53/59/411315359.db2.gz RSFXTODFTQRENV-JTQLQIEISA-N 2 1 231.340 -0.505 20 0 BBADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CCC(N)=O ZINC000660547118 411315356 /nfs/dbraw/zinc/31/53/56/411315356.db2.gz RSFXTODFTQRENV-JTQLQIEISA-N 2 1 231.340 -0.505 20 0 BBADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CCC(N)=O ZINC000660547118 411315355 /nfs/dbraw/zinc/31/53/55/411315355.db2.gz RSFXTODFTQRENV-JTQLQIEISA-N 2 1 231.340 -0.505 20 0 BBADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CCC(N)=O ZINC000660547121 411315346 /nfs/dbraw/zinc/31/53/46/411315346.db2.gz RSFXTODFTQRENV-SNVBAGLBSA-N 2 1 231.340 -0.505 20 0 BBADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CCC(N)=O ZINC000660547121 411315345 /nfs/dbraw/zinc/31/53/45/411315345.db2.gz RSFXTODFTQRENV-SNVBAGLBSA-N 2 1 231.340 -0.505 20 0 BBADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CCC(N)=O ZINC000660547121 411315342 /nfs/dbraw/zinc/31/53/42/411315342.db2.gz RSFXTODFTQRENV-SNVBAGLBSA-N 2 1 231.340 -0.505 20 0 BBADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CCC(N)=O ZINC000660547121 411315341 /nfs/dbraw/zinc/31/53/41/411315341.db2.gz RSFXTODFTQRENV-SNVBAGLBSA-N 2 1 231.340 -0.505 20 0 BBADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000660609309 411606327 /nfs/dbraw/zinc/60/63/27/411606327.db2.gz DBLUQJKVZRHWSV-NDBYEHHHSA-N 2 1 242.363 -0.142 20 0 BBADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000660609309 411606325 /nfs/dbraw/zinc/60/63/25/411606325.db2.gz DBLUQJKVZRHWSV-NDBYEHHHSA-N 2 1 242.363 -0.142 20 0 BBADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000660609309 411606323 /nfs/dbraw/zinc/60/63/23/411606323.db2.gz DBLUQJKVZRHWSV-NDBYEHHHSA-N 2 1 242.363 -0.142 20 0 BBADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000660609309 411606322 /nfs/dbraw/zinc/60/63/22/411606322.db2.gz DBLUQJKVZRHWSV-NDBYEHHHSA-N 2 1 242.363 -0.142 20 0 BBADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000660609311 411606381 /nfs/dbraw/zinc/60/63/81/411606381.db2.gz DBLUQJKVZRHWSV-WUHRBBMRSA-N 2 1 242.363 -0.142 20 0 BBADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000660609311 411606379 /nfs/dbraw/zinc/60/63/79/411606379.db2.gz DBLUQJKVZRHWSV-WUHRBBMRSA-N 2 1 242.363 -0.142 20 0 BBADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000660609311 411606377 /nfs/dbraw/zinc/60/63/77/411606377.db2.gz DBLUQJKVZRHWSV-WUHRBBMRSA-N 2 1 242.363 -0.142 20 0 BBADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000660609311 411606375 /nfs/dbraw/zinc/60/63/75/411606375.db2.gz DBLUQJKVZRHWSV-WUHRBBMRSA-N 2 1 242.363 -0.142 20 0 BBADMP CN(C[C@@H](O)C[N@H+]1CC[C@@]2(O)C[C@H]2C1)C1CC1 ZINC000661719848 411855737 /nfs/dbraw/zinc/85/57/37/411855737.db2.gz AOGRPCATGKCNTQ-CYZMBNFOSA-N 2 1 240.347 -0.102 20 0 BBADMP CN(C[C@@H](O)C[N@@H+]1CC[C@@]2(O)C[C@H]2C1)C1CC1 ZINC000661719848 411855733 /nfs/dbraw/zinc/85/57/33/411855733.db2.gz AOGRPCATGKCNTQ-CYZMBNFOSA-N 2 1 240.347 -0.102 20 0 BBADMP C[N@@H+](C[C@@H](O)CN1CC[C@@]2(O)C[C@H]2C1)C1CC1 ZINC000661719848 411855731 /nfs/dbraw/zinc/85/57/31/411855731.db2.gz AOGRPCATGKCNTQ-CYZMBNFOSA-N 2 1 240.347 -0.102 20 0 BBADMP CN(C[C@H](O)C[N@H+]1CC[C@@]2(O)C[C@H]2C1)C1CC1 ZINC000661719850 411856009 /nfs/dbraw/zinc/85/60/09/411856009.db2.gz AOGRPCATGKCNTQ-WCFLWFBJSA-N 2 1 240.347 -0.102 20 0 BBADMP CN(C[C@H](O)C[N@@H+]1CC[C@@]2(O)C[C@H]2C1)C1CC1 ZINC000661719850 411856008 /nfs/dbraw/zinc/85/60/08/411856008.db2.gz AOGRPCATGKCNTQ-WCFLWFBJSA-N 2 1 240.347 -0.102 20 0 BBADMP C[N@@H+](C[C@H](O)CN1CC[C@@]2(O)C[C@H]2C1)C1CC1 ZINC000661719850 411856006 /nfs/dbraw/zinc/85/60/06/411856006.db2.gz AOGRPCATGKCNTQ-WCFLWFBJSA-N 2 1 240.347 -0.102 20 0 BBADMP C[C@H](O)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662146843 412005793 /nfs/dbraw/zinc/00/57/93/412005793.db2.gz BSTRSGNOSDHTFP-CMPLNLGQSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@H](O)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662146843 412005791 /nfs/dbraw/zinc/00/57/91/412005791.db2.gz BSTRSGNOSDHTFP-CMPLNLGQSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@H](O)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662146846 412006498 /nfs/dbraw/zinc/00/64/98/412006498.db2.gz BSTRSGNOSDHTFP-JQWIXIFHSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@H](O)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662146846 412006495 /nfs/dbraw/zinc/00/64/95/412006495.db2.gz BSTRSGNOSDHTFP-JQWIXIFHSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@@H](O)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662146847 412005782 /nfs/dbraw/zinc/00/57/82/412005782.db2.gz BSTRSGNOSDHTFP-PWSUYJOCSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@@H](O)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662146847 412005780 /nfs/dbraw/zinc/00/57/80/412005780.db2.gz BSTRSGNOSDHTFP-PWSUYJOCSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@@H](O)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662146848 412007008 /nfs/dbraw/zinc/00/70/08/412007008.db2.gz BSTRSGNOSDHTFP-ZYHUDNBSSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@@H](O)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662146848 412007005 /nfs/dbraw/zinc/00/70/05/412007005.db2.gz BSTRSGNOSDHTFP-ZYHUDNBSSA-N 2 1 228.336 -0.102 20 0 BBADMP OCCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662156619 412011730 /nfs/dbraw/zinc/01/17/30/412011730.db2.gz NCIKHZUNMJXOCH-GFCCVEGCSA-N 2 1 228.336 -0.100 20 0 BBADMP OCCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662156619 412011727 /nfs/dbraw/zinc/01/17/27/412011727.db2.gz NCIKHZUNMJXOCH-GFCCVEGCSA-N 2 1 228.336 -0.100 20 0 BBADMP OCCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662156639 412010982 /nfs/dbraw/zinc/01/09/82/412010982.db2.gz NCIKHZUNMJXOCH-LBPRGKRZSA-N 2 1 228.336 -0.100 20 0 BBADMP OCCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662156639 412010978 /nfs/dbraw/zinc/01/09/78/412010978.db2.gz NCIKHZUNMJXOCH-LBPRGKRZSA-N 2 1 228.336 -0.100 20 0 BBADMP [NH3+]C1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662239398 412037944 /nfs/dbraw/zinc/03/79/44/412037944.db2.gz BVTJXVFQQDKKNN-LLVKDONJSA-N 3 1 225.336 -0.070 20 0 BBADMP [NH3+]C1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662239400 412037283 /nfs/dbraw/zinc/03/72/83/412037283.db2.gz BVTJXVFQQDKKNN-NSHDSACASA-N 3 1 225.336 -0.070 20 0 BBADMP [NH3+]C[C@H]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662242329 412037473 /nfs/dbraw/zinc/03/74/73/412037473.db2.gz CVODSRVUWACLGH-GHMZBOCLSA-N 2 1 225.336 -0.212 20 0 BBADMP [NH3+]C[C@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662242329 412037471 /nfs/dbraw/zinc/03/74/71/412037471.db2.gz CVODSRVUWACLGH-GHMZBOCLSA-N 3 1 225.336 -0.212 20 0 BBADMP [NH3+]C[C@H]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662242332 412037762 /nfs/dbraw/zinc/03/77/62/412037762.db2.gz CVODSRVUWACLGH-MNOVXSKESA-N 2 1 225.336 -0.212 20 0 BBADMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662242332 412037758 /nfs/dbraw/zinc/03/77/58/412037758.db2.gz CVODSRVUWACLGH-MNOVXSKESA-N 3 1 225.336 -0.212 20 0 BBADMP [NH3+]C[C@@H]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662242335 412036780 /nfs/dbraw/zinc/03/67/80/412036780.db2.gz CVODSRVUWACLGH-QWRGUYRKSA-N 2 1 225.336 -0.212 20 0 BBADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662242335 412036777 /nfs/dbraw/zinc/03/67/77/412036777.db2.gz CVODSRVUWACLGH-QWRGUYRKSA-N 3 1 225.336 -0.212 20 0 BBADMP [NH3+]C[C@@H]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662242337 412037515 /nfs/dbraw/zinc/03/75/15/412037515.db2.gz CVODSRVUWACLGH-WDEREUQCSA-N 2 1 225.336 -0.212 20 0 BBADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662242337 412037514 /nfs/dbraw/zinc/03/75/14/412037514.db2.gz CVODSRVUWACLGH-WDEREUQCSA-N 3 1 225.336 -0.212 20 0 BBADMP CN(CCC[NH3+])C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662244515 412041139 /nfs/dbraw/zinc/04/11/39/412041139.db2.gz IALQYUXUCFIWIA-JTQLQIEISA-N 2 1 213.325 -0.212 20 0 BBADMP C[N@@H+](CCC[NH3+])C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662244515 412041135 /nfs/dbraw/zinc/04/11/35/412041135.db2.gz IALQYUXUCFIWIA-JTQLQIEISA-N 3 1 213.325 -0.212 20 0 BBADMP CN(CCC[NH3+])C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662244516 412042012 /nfs/dbraw/zinc/04/20/12/412042012.db2.gz IALQYUXUCFIWIA-SNVBAGLBSA-N 2 1 213.325 -0.212 20 0 BBADMP C[N@@H+](CCC[NH3+])C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662244516 412042011 /nfs/dbraw/zinc/04/20/11/412042011.db2.gz IALQYUXUCFIWIA-SNVBAGLBSA-N 3 1 213.325 -0.212 20 0 BBADMP COC[C@@H](C[N@@H+](C)CCN1CC[NH2+]CC1)OC ZINC000662246090 412043805 /nfs/dbraw/zinc/04/38/05/412043805.db2.gz OMYHDQDKECMOHV-GFCCVEGCSA-N 2 1 245.367 -0.515 20 0 BBADMP COC[C@H](C[N@@H+](C)CCN1CC[NH2+]CC1)OC ZINC000662246091 412043053 /nfs/dbraw/zinc/04/30/53/412043053.db2.gz OMYHDQDKECMOHV-LBPRGKRZSA-N 2 1 245.367 -0.515 20 0 BBADMP CCN1CC[C@@H]([N@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000662246147 409541528 /nfs/dbraw/zinc/54/15/28/409541528.db2.gz QCHAYCDHEVQRDH-NXEZZACHSA-N 2 1 211.309 -0.112 20 0 BBADMP CCN1CC[C@@H]([N@@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000662246147 409541521 /nfs/dbraw/zinc/54/15/21/409541521.db2.gz QCHAYCDHEVQRDH-NXEZZACHSA-N 2 1 211.309 -0.112 20 0 BBADMP CCN1CC[C@H]([N@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000662246148 409541837 /nfs/dbraw/zinc/54/18/37/409541837.db2.gz QCHAYCDHEVQRDH-UWVGGRQHSA-N 2 1 211.309 -0.112 20 0 BBADMP CCN1CC[C@H]([N@@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000662246148 409541830 /nfs/dbraw/zinc/54/18/30/409541830.db2.gz QCHAYCDHEVQRDH-UWVGGRQHSA-N 2 1 211.309 -0.112 20 0 BBADMP CCN1CC[C@@H]([N@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000662246149 409542167 /nfs/dbraw/zinc/54/21/67/409542167.db2.gz QCHAYCDHEVQRDH-VHSXEESVSA-N 2 1 211.309 -0.112 20 0 BBADMP CCN1CC[C@@H]([N@@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000662246149 409542165 /nfs/dbraw/zinc/54/21/65/409542165.db2.gz QCHAYCDHEVQRDH-VHSXEESVSA-N 2 1 211.309 -0.112 20 0 BBADMP CCN1CC[C@H]([N@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000662246150 409541301 /nfs/dbraw/zinc/54/13/01/409541301.db2.gz QCHAYCDHEVQRDH-ZJUUUORDSA-N 2 1 211.309 -0.112 20 0 BBADMP CCN1CC[C@H]([N@@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000662246150 409541293 /nfs/dbraw/zinc/54/12/93/409541293.db2.gz QCHAYCDHEVQRDH-ZJUUUORDSA-N 2 1 211.309 -0.112 20 0 BBADMP CN1CCC[C@@H]([N@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000662246577 412043043 /nfs/dbraw/zinc/04/30/43/412043043.db2.gz ZKNFLITUEOIVBP-NXEZZACHSA-N 2 1 211.309 -0.112 20 0 BBADMP CN1CCC[C@H]([N@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000662246581 412043630 /nfs/dbraw/zinc/04/36/30/412043630.db2.gz ZKNFLITUEOIVBP-UWVGGRQHSA-N 2 1 211.309 -0.112 20 0 BBADMP CN1CCC[C@@H]([N@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000662246584 412043750 /nfs/dbraw/zinc/04/37/50/412043750.db2.gz ZKNFLITUEOIVBP-VHSXEESVSA-N 2 1 211.309 -0.112 20 0 BBADMP CN1CCC[C@H]([N@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000662246587 412043239 /nfs/dbraw/zinc/04/32/39/412043239.db2.gz ZKNFLITUEOIVBP-ZJUUUORDSA-N 2 1 211.309 -0.112 20 0 BBADMP CN(C)C(=O)C[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248409 412047671 /nfs/dbraw/zinc/04/76/71/412047671.db2.gz ATJKCBURNNGMMV-JTQLQIEISA-N 2 1 241.335 -0.473 20 0 BBADMP CN(C)C(=O)C[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248409 412047669 /nfs/dbraw/zinc/04/76/69/412047669.db2.gz ATJKCBURNNGMMV-JTQLQIEISA-N 2 1 241.335 -0.473 20 0 BBADMP CN(C)C(=O)C[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248410 412045982 /nfs/dbraw/zinc/04/59/82/412045982.db2.gz ATJKCBURNNGMMV-SNVBAGLBSA-N 2 1 241.335 -0.473 20 0 BBADMP CN(C)C(=O)C[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248410 412045980 /nfs/dbraw/zinc/04/59/80/412045980.db2.gz ATJKCBURNNGMMV-SNVBAGLBSA-N 2 1 241.335 -0.473 20 0 BBADMP C([C@@H]1CCC2(C[NH2+]C2)O1)[NH+]1CCOCC1 ZINC000662248743 412047628 /nfs/dbraw/zinc/04/76/28/412047628.db2.gz COMWXVXQZDFMMI-JTQLQIEISA-N 2 1 212.293 -0.160 20 0 BBADMP C([C@H]1CCC2(C[NH2+]C2)O1)[NH+]1CCOCC1 ZINC000662248745 412047726 /nfs/dbraw/zinc/04/77/26/412047726.db2.gz COMWXVXQZDFMMI-SNVBAGLBSA-N 2 1 212.293 -0.160 20 0 BBADMP CC(C)[N@H+](CC(N)=O)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248967 409548788 /nfs/dbraw/zinc/54/87/88/409548788.db2.gz GBLDTCSTUOYBRZ-JTQLQIEISA-N 2 1 241.335 -0.297 20 0 BBADMP CC(C)[N@H+](CC(N)=O)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248970 409549173 /nfs/dbraw/zinc/54/91/73/409549173.db2.gz GBLDTCSTUOYBRZ-SNVBAGLBSA-N 2 1 241.335 -0.297 20 0 BBADMP OCC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662251102 412049259 /nfs/dbraw/zinc/04/92/59/412049259.db2.gz YUTLWJSROFPSRA-LLVKDONJSA-N 2 1 226.320 -0.036 20 0 BBADMP OCC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662251103 412049957 /nfs/dbraw/zinc/04/99/57/412049957.db2.gz YUTLWJSROFPSRA-NSHDSACASA-N 2 1 226.320 -0.036 20 0 BBADMP CCNC(=O)C[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251795 412049094 /nfs/dbraw/zinc/04/90/94/412049094.db2.gz FWWSRBDYZSXBRL-JTQLQIEISA-N 2 1 241.335 -0.425 20 0 BBADMP CCNC(=O)C[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251795 412049093 /nfs/dbraw/zinc/04/90/93/412049093.db2.gz FWWSRBDYZSXBRL-JTQLQIEISA-N 2 1 241.335 -0.425 20 0 BBADMP CCNC(=O)C[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251797 412049025 /nfs/dbraw/zinc/04/90/25/412049025.db2.gz FWWSRBDYZSXBRL-SNVBAGLBSA-N 2 1 241.335 -0.425 20 0 BBADMP CCNC(=O)C[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251797 412049023 /nfs/dbraw/zinc/04/90/23/412049023.db2.gz FWWSRBDYZSXBRL-SNVBAGLBSA-N 2 1 241.335 -0.425 20 0 BBADMP CNC(=O)CC[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256167 412051216 /nfs/dbraw/zinc/05/12/16/412051216.db2.gz HSSYAQHZKQVSMD-JTQLQIEISA-N 2 1 241.335 -0.425 20 0 BBADMP CNC(=O)CC[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256168 412051989 /nfs/dbraw/zinc/05/19/89/412051989.db2.gz HSSYAQHZKQVSMD-SNVBAGLBSA-N 2 1 241.335 -0.425 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CNCCO2)C1 ZINC000662264659 409561326 /nfs/dbraw/zinc/56/13/26/409561326.db2.gz FBKMFYVAHASNGW-AXFHLTTASA-N 2 1 213.325 -0.356 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2CNCCO2)C1 ZINC000662264659 409561315 /nfs/dbraw/zinc/56/13/15/409561315.db2.gz FBKMFYVAHASNGW-AXFHLTTASA-N 2 1 213.325 -0.356 20 0 BBADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2CNCCO2)C1 ZINC000662264923 409558976 /nfs/dbraw/zinc/55/89/76/409558976.db2.gz FBKMFYVAHASNGW-DCAQKATOSA-N 2 1 213.325 -0.356 20 0 BBADMP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H]2CNCCO2)C1 ZINC000662264923 409558970 /nfs/dbraw/zinc/55/89/70/409558970.db2.gz FBKMFYVAHASNGW-DCAQKATOSA-N 2 1 213.325 -0.356 20 0 BBADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H]2CNCCO2)C1 ZINC000662264924 409561006 /nfs/dbraw/zinc/56/10/06/409561006.db2.gz FBKMFYVAHASNGW-GARJFASQSA-N 2 1 213.325 -0.356 20 0 BBADMP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@H]2CNCCO2)C1 ZINC000662264924 409561000 /nfs/dbraw/zinc/56/10/00/409561000.db2.gz FBKMFYVAHASNGW-GARJFASQSA-N 2 1 213.325 -0.356 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CNCCO2)C1 ZINC000662264927 409559891 /nfs/dbraw/zinc/55/98/91/409559891.db2.gz FBKMFYVAHASNGW-HBNTYKKESA-N 2 1 213.325 -0.356 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H]2CNCCO2)C1 ZINC000662264927 409559881 /nfs/dbraw/zinc/55/98/81/409559881.db2.gz FBKMFYVAHASNGW-HBNTYKKESA-N 2 1 213.325 -0.356 20 0 BBADMP C[C@@H]1C[C@H](C[NH3+])CN1C[C@H]1C[NH2+]CCO1 ZINC000662265923 412058245 /nfs/dbraw/zinc/05/82/45/412058245.db2.gz UFETVGVVGQGXKX-GMTAPVOTSA-N 2 1 213.325 -0.356 20 0 BBADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@H]1CNCCO1 ZINC000662265923 412058244 /nfs/dbraw/zinc/05/82/44/412058244.db2.gz UFETVGVVGQGXKX-GMTAPVOTSA-N 2 1 213.325 -0.356 20 0 BBADMP C[C@@H]1C[C@H](C[NH3+])CN1C[C@@H]1C[NH2+]CCO1 ZINC000662265924 412059031 /nfs/dbraw/zinc/05/90/31/412059031.db2.gz UFETVGVVGQGXKX-MXWKQRLJSA-N 2 1 213.325 -0.356 20 0 BBADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@@H]1CNCCO1 ZINC000662265924 412059027 /nfs/dbraw/zinc/05/90/27/412059027.db2.gz UFETVGVVGQGXKX-MXWKQRLJSA-N 2 1 213.325 -0.356 20 0 BBADMP C[C@@H]1C[C@@H](C[NH3+])CN1C[C@H]1C[NH2+]CCO1 ZINC000662265925 412058687 /nfs/dbraw/zinc/05/86/87/412058687.db2.gz UFETVGVVGQGXKX-OUAUKWLOSA-N 2 1 213.325 -0.356 20 0 BBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@H]1CNCCO1 ZINC000662265925 412058683 /nfs/dbraw/zinc/05/86/83/412058683.db2.gz UFETVGVVGQGXKX-OUAUKWLOSA-N 2 1 213.325 -0.356 20 0 BBADMP C[C@@H]1C[C@@H](C[NH3+])CN1C[C@@H]1C[NH2+]CCO1 ZINC000662265926 412059125 /nfs/dbraw/zinc/05/91/25/412059125.db2.gz UFETVGVVGQGXKX-VWYCJHECSA-N 2 1 213.325 -0.356 20 0 BBADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@@H]1CNCCO1 ZINC000662265926 412059123 /nfs/dbraw/zinc/05/91/23/412059123.db2.gz UFETVGVVGQGXKX-VWYCJHECSA-N 2 1 213.325 -0.356 20 0 BBADMP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000662271670 487518630 /nfs/dbraw/zinc/51/86/30/487518630.db2.gz IIVTVSXYMVIZEP-GRYCIOLGSA-N 3 1 237.347 -0.341 20 0 BBADMP C([C@H]1CCC2(C[NH2+]C2)O1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000662271670 487518622 /nfs/dbraw/zinc/51/86/22/487518622.db2.gz IIVTVSXYMVIZEP-GRYCIOLGSA-N 3 1 237.347 -0.341 20 0 BBADMP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000662271672 487518859 /nfs/dbraw/zinc/51/88/59/487518859.db2.gz IIVTVSXYMVIZEP-TUAOUCFPSA-N 3 1 237.347 -0.341 20 0 BBADMP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000662271672 487518855 /nfs/dbraw/zinc/51/88/55/487518855.db2.gz IIVTVSXYMVIZEP-TUAOUCFPSA-N 3 1 237.347 -0.341 20 0 BBADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CNCCO2)C1 ZINC000662273215 409580804 /nfs/dbraw/zinc/58/08/04/409580804.db2.gz NAJGRDZAEFRZTE-GHMZBOCLSA-N 2 1 213.325 -0.355 20 0 BBADMP C[C@]1(C[NH3+])CC[N@H+](C[C@H]2CNCCO2)C1 ZINC000662273215 409580795 /nfs/dbraw/zinc/58/07/95/409580795.db2.gz NAJGRDZAEFRZTE-GHMZBOCLSA-N 2 1 213.325 -0.355 20 0 BBADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CNCCO2)C1 ZINC000662273218 409581557 /nfs/dbraw/zinc/58/15/57/409581557.db2.gz NAJGRDZAEFRZTE-MNOVXSKESA-N 2 1 213.325 -0.355 20 0 BBADMP C[C@@]1(C[NH3+])CC[N@H+](C[C@H]2CNCCO2)C1 ZINC000662273218 409581547 /nfs/dbraw/zinc/58/15/47/409581547.db2.gz NAJGRDZAEFRZTE-MNOVXSKESA-N 2 1 213.325 -0.355 20 0 BBADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CNCCO2)C1 ZINC000662273234 409581682 /nfs/dbraw/zinc/58/16/82/409581682.db2.gz NAJGRDZAEFRZTE-QWRGUYRKSA-N 2 1 213.325 -0.355 20 0 BBADMP C[C@@]1(C[NH3+])CC[N@H+](C[C@@H]2CNCCO2)C1 ZINC000662273234 409581676 /nfs/dbraw/zinc/58/16/76/409581676.db2.gz NAJGRDZAEFRZTE-QWRGUYRKSA-N 2 1 213.325 -0.355 20 0 BBADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CNCCO2)C1 ZINC000662273235 409580457 /nfs/dbraw/zinc/58/04/57/409580457.db2.gz NAJGRDZAEFRZTE-WDEREUQCSA-N 2 1 213.325 -0.355 20 0 BBADMP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CNCCO2)C1 ZINC000662273235 409580449 /nfs/dbraw/zinc/58/04/49/409580449.db2.gz NAJGRDZAEFRZTE-WDEREUQCSA-N 2 1 213.325 -0.355 20 0 BBADMP C([C@H]1CNCCO1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662274083 412065581 /nfs/dbraw/zinc/06/55/81/412065581.db2.gz QYQITRYZFLAECR-FRRDWIJNSA-N 2 1 239.363 -0.094 20 0 BBADMP C([C@@H]1CNCCO1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662274084 412065546 /nfs/dbraw/zinc/06/55/46/412065546.db2.gz QYQITRYZFLAECR-XQQFMLRXSA-N 2 1 239.363 -0.094 20 0 BBADMP CN(C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC([NH3+])C1 ZINC000662274085 412066270 /nfs/dbraw/zinc/06/62/70/412066270.db2.gz QYYXUEDUEAVOCU-ILDUYXDCSA-N 2 1 225.336 -0.071 20 0 BBADMP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC([NH3+])C1 ZINC000662274085 412066265 /nfs/dbraw/zinc/06/62/65/412066265.db2.gz QYYXUEDUEAVOCU-ILDUYXDCSA-N 3 1 225.336 -0.071 20 0 BBADMP CN(C[C@H]1CCC2(C[NH2+]C2)O1)C1CC([NH3+])C1 ZINC000662274086 412065697 /nfs/dbraw/zinc/06/56/97/412065697.db2.gz QYYXUEDUEAVOCU-VQXHTEKXSA-N 2 1 225.336 -0.071 20 0 BBADMP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC([NH3+])C1 ZINC000662274086 412065692 /nfs/dbraw/zinc/06/56/92/412065692.db2.gz QYYXUEDUEAVOCU-VQXHTEKXSA-N 3 1 225.336 -0.071 20 0 BBADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@H]1CNCCO1 ZINC000662276832 412068980 /nfs/dbraw/zinc/06/89/80/412068980.db2.gz LMYFIXWDBBKJIN-GHMZBOCLSA-N 2 1 227.352 -0.048 20 0 BBADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@H]1CNCCO1 ZINC000662276833 412068785 /nfs/dbraw/zinc/06/87/85/412068785.db2.gz LMYFIXWDBBKJIN-MNOVXSKESA-N 2 1 227.352 -0.048 20 0 BBADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CNCCO1 ZINC000662276834 412069684 /nfs/dbraw/zinc/06/96/84/412069684.db2.gz LMYFIXWDBBKJIN-QWRGUYRKSA-N 2 1 227.352 -0.048 20 0 BBADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@@H]1CNCCO1 ZINC000662276835 412068658 /nfs/dbraw/zinc/06/86/58/412068658.db2.gz LMYFIXWDBBKJIN-WDEREUQCSA-N 2 1 227.352 -0.048 20 0 BBADMP C[N@@H+](CCO[C@@H]1CC1(F)F)C[C@H](O)C[NH3+] ZINC000662278452 409597184 /nfs/dbraw/zinc/59/71/84/409597184.db2.gz XSKNSGNJWBYSDV-HTQZYQBOSA-N 2 1 224.251 -0.338 20 0 BBADMP C[N@H+](CCO[C@@H]1CC1(F)F)C[C@H](O)C[NH3+] ZINC000662278452 409597177 /nfs/dbraw/zinc/59/71/77/409597177.db2.gz XSKNSGNJWBYSDV-HTQZYQBOSA-N 2 1 224.251 -0.338 20 0 BBADMP C[N@@H+](CCO[C@@H]1CC1(F)F)C[C@@H](O)C[NH3+] ZINC000662278453 409596585 /nfs/dbraw/zinc/59/65/85/409596585.db2.gz XSKNSGNJWBYSDV-JGVFFNPUSA-N 2 1 224.251 -0.338 20 0 BBADMP C[N@H+](CCO[C@@H]1CC1(F)F)C[C@@H](O)C[NH3+] ZINC000662278453 409596577 /nfs/dbraw/zinc/59/65/77/409596577.db2.gz XSKNSGNJWBYSDV-JGVFFNPUSA-N 2 1 224.251 -0.338 20 0 BBADMP C[N@@H+](CCO[C@H]1CC1(F)F)C[C@H](O)C[NH3+] ZINC000662278454 409596711 /nfs/dbraw/zinc/59/67/11/409596711.db2.gz XSKNSGNJWBYSDV-SFYZADRCSA-N 2 1 224.251 -0.338 20 0 BBADMP C[N@H+](CCO[C@H]1CC1(F)F)C[C@H](O)C[NH3+] ZINC000662278454 409596701 /nfs/dbraw/zinc/59/67/01/409596701.db2.gz XSKNSGNJWBYSDV-SFYZADRCSA-N 2 1 224.251 -0.338 20 0 BBADMP C[N@@H+](CCO[C@H]1CC1(F)F)C[C@@H](O)C[NH3+] ZINC000662278455 409597108 /nfs/dbraw/zinc/59/71/08/409597108.db2.gz XSKNSGNJWBYSDV-YUMQZZPRSA-N 2 1 224.251 -0.338 20 0 BBADMP C[N@H+](CCO[C@H]1CC1(F)F)C[C@@H](O)C[NH3+] ZINC000662278455 409597103 /nfs/dbraw/zinc/59/71/03/409597103.db2.gz XSKNSGNJWBYSDV-YUMQZZPRSA-N 2 1 224.251 -0.338 20 0 BBADMP C[C@@H]1CN(C[C@H]2C[NH2+]CCO2)[C@@H](C)C[N@H+]1C ZINC000662279705 412070766 /nfs/dbraw/zinc/07/07/66/412070766.db2.gz XCIPHZZZNOSYER-GRYCIOLGSA-N 2 1 227.352 -0.001 20 0 BBADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C[C@H]1C[NH2+]CCO1 ZINC000662279710 412071656 /nfs/dbraw/zinc/07/16/56/412071656.db2.gz XCIPHZZZNOSYER-IJLUTSLNSA-N 2 1 227.352 -0.001 20 0 BBADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C[C@@H]1C[NH2+]CCO1 ZINC000662279711 412071323 /nfs/dbraw/zinc/07/13/23/412071323.db2.gz XCIPHZZZNOSYER-UTUOFQBUSA-N 2 1 227.352 -0.001 20 0 BBADMP C[C@@H]1CN(C[C@@H]2C[NH2+]CCO2)[C@@H](C)C[N@H+]1C ZINC000662279712 412071191 /nfs/dbraw/zinc/07/11/91/412071191.db2.gz XCIPHZZZNOSYER-WOPDTQHZSA-N 2 1 227.352 -0.001 20 0 BBADMP COC[C@@H](C[N@H+]1CCCO[C@H](C[NH3+])C1)OC ZINC000662280963 412072285 /nfs/dbraw/zinc/07/22/85/412072285.db2.gz IYPDOGLUERRYNL-GHMZBOCLSA-N 2 1 232.324 -0.303 20 0 BBADMP COC[C@H](C[N@H+]1CCCO[C@H](C[NH3+])C1)OC ZINC000662280964 412073245 /nfs/dbraw/zinc/07/32/45/412073245.db2.gz IYPDOGLUERRYNL-MNOVXSKESA-N 2 1 232.324 -0.303 20 0 BBADMP COC[C@H](C[N@H+]1CCCO[C@@H](C[NH3+])C1)OC ZINC000662280965 412072848 /nfs/dbraw/zinc/07/28/48/412072848.db2.gz IYPDOGLUERRYNL-QWRGUYRKSA-N 2 1 232.324 -0.303 20 0 BBADMP COC[C@@H](C[N@H+]1CCCO[C@@H](C[NH3+])C1)OC ZINC000662280966 412072573 /nfs/dbraw/zinc/07/25/73/412072573.db2.gz IYPDOGLUERRYNL-WDEREUQCSA-N 2 1 232.324 -0.303 20 0 BBADMP O[C@@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662283678 412074755 /nfs/dbraw/zinc/07/47/55/412074755.db2.gz JGQXBEOUVPQNBC-GHMZBOCLSA-N 2 1 226.320 -0.036 20 0 BBADMP O[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662283679 412074737 /nfs/dbraw/zinc/07/47/37/412074737.db2.gz JGQXBEOUVPQNBC-MNOVXSKESA-N 2 1 226.320 -0.036 20 0 BBADMP C[C@@H]1CC[N@@H+](C[C@H]2CNCCO2)C[C@@H]1C[NH3+] ZINC000662284455 412074426 /nfs/dbraw/zinc/07/44/26/412074426.db2.gz YIHOLPLNXUOZGV-GRYCIOLGSA-N 2 1 227.352 -0.109 20 0 BBADMP C[C@@H]1CC[N@H+](C[C@H]2CNCCO2)C[C@@H]1C[NH3+] ZINC000662284455 412074424 /nfs/dbraw/zinc/07/44/24/412074424.db2.gz YIHOLPLNXUOZGV-GRYCIOLGSA-N 2 1 227.352 -0.109 20 0 BBADMP C[C@@H]1CC[N@@H+](C[C@H]2CNCCO2)C[C@H]1C[NH3+] ZINC000662284456 412074832 /nfs/dbraw/zinc/07/48/32/412074832.db2.gz YIHOLPLNXUOZGV-IJLUTSLNSA-N 2 1 227.352 -0.109 20 0 BBADMP C[C@@H]1CC[N@H+](C[C@H]2CNCCO2)C[C@H]1C[NH3+] ZINC000662284456 412074828 /nfs/dbraw/zinc/07/48/28/412074828.db2.gz YIHOLPLNXUOZGV-IJLUTSLNSA-N 2 1 227.352 -0.109 20 0 BBADMP C[C@@H]1CC[N@@H+](C[C@@H]2CNCCO2)C[C@H]1C[NH3+] ZINC000662284457 412075955 /nfs/dbraw/zinc/07/59/55/412075955.db2.gz YIHOLPLNXUOZGV-UTUOFQBUSA-N 2 1 227.352 -0.109 20 0 BBADMP C[C@@H]1CC[N@H+](C[C@@H]2CNCCO2)C[C@H]1C[NH3+] ZINC000662284457 412075950 /nfs/dbraw/zinc/07/59/50/412075950.db2.gz YIHOLPLNXUOZGV-UTUOFQBUSA-N 2 1 227.352 -0.109 20 0 BBADMP C[C@@H]1CC[N@@H+](C[C@@H]2CNCCO2)C[C@@H]1C[NH3+] ZINC000662284458 412075424 /nfs/dbraw/zinc/07/54/24/412075424.db2.gz YIHOLPLNXUOZGV-WOPDTQHZSA-N 2 1 227.352 -0.109 20 0 BBADMP C[C@@H]1CC[N@H+](C[C@@H]2CNCCO2)C[C@@H]1C[NH3+] ZINC000662284458 412075420 /nfs/dbraw/zinc/07/54/20/412075420.db2.gz YIHOLPLNXUOZGV-WOPDTQHZSA-N 2 1 227.352 -0.109 20 0 BBADMP CCN(C)C(=O)CC[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285050 412078144 /nfs/dbraw/zinc/07/81/44/412078144.db2.gz VIPOALJXZKYPRD-UHFFFAOYSA-N 2 1 243.351 -0.441 20 0 BBADMP O[C@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662285303 412076763 /nfs/dbraw/zinc/07/67/63/412076763.db2.gz JGQXBEOUVPQNBC-QWRGUYRKSA-N 2 1 226.320 -0.036 20 0 BBADMP O[C@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662285304 412078318 /nfs/dbraw/zinc/07/83/18/412078318.db2.gz JGQXBEOUVPQNBC-WDEREUQCSA-N 2 1 226.320 -0.036 20 0 BBADMP CC(=O)NCC[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662286211 412077413 /nfs/dbraw/zinc/07/74/13/412077413.db2.gz PPWGVOCYMGQVTH-LLVKDONJSA-N 2 1 241.335 -0.425 20 0 BBADMP CC(=O)NCC[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662286212 409619154 /nfs/dbraw/zinc/61/91/54/409619154.db2.gz PPWGVOCYMGQVTH-NSHDSACASA-N 2 1 241.335 -0.425 20 0 BBADMP CCOCC[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286317 412078406 /nfs/dbraw/zinc/07/84/06/412078406.db2.gz ZJYDSJCYVCLXJD-UHFFFAOYSA-N 2 1 202.298 -0.273 20 0 BBADMP CCO[C@@H]1C[N@@H+](C[C@@H](COC)OC)C[C@H]1C[NH3+] ZINC000662286618 412077162 /nfs/dbraw/zinc/07/71/62/412077162.db2.gz SEVOAPHCFYWOIN-GRYCIOLGSA-N 2 1 246.351 -0.057 20 0 BBADMP CCO[C@@H]1C[N@@H+](C[C@H](COC)OC)C[C@H]1C[NH3+] ZINC000662286619 412078642 /nfs/dbraw/zinc/07/86/42/412078642.db2.gz SEVOAPHCFYWOIN-IJLUTSLNSA-N 2 1 246.351 -0.057 20 0 BBADMP [NH3+]CC[N@@H+](C[C@@H](O)CO)CC1CC=CC1 ZINC000662286696 412077886 /nfs/dbraw/zinc/07/78/86/412077886.db2.gz XTUZOYSJSVJAPL-LLVKDONJSA-N 2 1 214.309 -0.434 20 0 BBADMP [NH3+]CC[N@H+](C[C@@H](O)CO)CC1CC=CC1 ZINC000662286696 412077882 /nfs/dbraw/zinc/07/78/82/412077882.db2.gz XTUZOYSJSVJAPL-LLVKDONJSA-N 2 1 214.309 -0.434 20 0 BBADMP [NH3+]CC[N@@H+](C[C@H](O)CO)CC1CC=CC1 ZINC000662286697 412078029 /nfs/dbraw/zinc/07/80/29/412078029.db2.gz XTUZOYSJSVJAPL-NSHDSACASA-N 2 1 214.309 -0.434 20 0 BBADMP [NH3+]CC[N@H+](C[C@H](O)CO)CC1CC=CC1 ZINC000662286697 412078027 /nfs/dbraw/zinc/07/80/27/412078027.db2.gz XTUZOYSJSVJAPL-NSHDSACASA-N 2 1 214.309 -0.434 20 0 BBADMP OCC1([NH2+]CCN2CCOCC2)CC[NH2+]CC1 ZINC000662286986 412079893 /nfs/dbraw/zinc/07/98/93/412079893.db2.gz OQQFPEKMTYEXBV-UHFFFAOYSA-N 2 1 243.351 -0.977 20 0 BBADMP OCC1([NH2+]CCOCC(F)F)CC[NH2+]CC1 ZINC000662287240 412079474 /nfs/dbraw/zinc/07/94/74/412079474.db2.gz WGNFFOUBZVWEIO-UHFFFAOYSA-N 2 1 238.278 -0.028 20 0 BBADMP C[N@@H+](CCC(=O)N1CCOCC1)CC(C)(C)[NH3+] ZINC000662293080 412079408 /nfs/dbraw/zinc/07/94/08/412079408.db2.gz NQLIYJLCOIHPEV-UHFFFAOYSA-N 2 1 243.351 -0.096 20 0 BBADMP C[N@H+](CCC(=O)N1CCOCC1)CC(C)(C)[NH3+] ZINC000662293080 412079404 /nfs/dbraw/zinc/07/94/04/412079404.db2.gz NQLIYJLCOIHPEV-UHFFFAOYSA-N 2 1 243.351 -0.096 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000662295508 487542745 /nfs/dbraw/zinc/54/27/45/487542745.db2.gz LYLSPNGUXLEINV-LLVKDONJSA-N 2 1 239.323 -0.425 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000662295509 487542737 /nfs/dbraw/zinc/54/27/37/487542737.db2.gz LYLSPNGUXLEINV-NSHDSACASA-N 2 1 239.323 -0.425 20 0 BBADMP C[C@@H]([NH3+])C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000662296916 412084240 /nfs/dbraw/zinc/08/42/40/412084240.db2.gz XJFNWQSKXKBLBR-NXEZZACHSA-N 2 1 209.297 -0.053 20 0 BBADMP C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000662296916 412084238 /nfs/dbraw/zinc/08/42/38/412084238.db2.gz XJFNWQSKXKBLBR-NXEZZACHSA-N 2 1 209.297 -0.053 20 0 BBADMP C[C@H]([NH3+])C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000662296917 412084648 /nfs/dbraw/zinc/08/46/48/412084648.db2.gz XJFNWQSKXKBLBR-UWVGGRQHSA-N 2 1 209.297 -0.053 20 0 BBADMP C[C@H]([NH3+])C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000662296917 412084646 /nfs/dbraw/zinc/08/46/46/412084646.db2.gz XJFNWQSKXKBLBR-UWVGGRQHSA-N 2 1 209.297 -0.053 20 0 BBADMP C[C@H]([NH3+])C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000662296918 412083732 /nfs/dbraw/zinc/08/37/32/412083732.db2.gz XJFNWQSKXKBLBR-VHSXEESVSA-N 2 1 209.297 -0.053 20 0 BBADMP C[C@H]([NH3+])C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000662296918 412083729 /nfs/dbraw/zinc/08/37/29/412083729.db2.gz XJFNWQSKXKBLBR-VHSXEESVSA-N 2 1 209.297 -0.053 20 0 BBADMP C[C@@H]([NH3+])C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000662296919 412083370 /nfs/dbraw/zinc/08/33/70/412083370.db2.gz XJFNWQSKXKBLBR-ZJUUUORDSA-N 2 1 209.297 -0.053 20 0 BBADMP C[C@@H]([NH3+])C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000662296919 412083365 /nfs/dbraw/zinc/08/33/65/412083365.db2.gz XJFNWQSKXKBLBR-ZJUUUORDSA-N 2 1 209.297 -0.053 20 0 BBADMP C[N@@H+](CCOCC[NH3+])C[C@H]1COCCO1 ZINC000662305320 412090593 /nfs/dbraw/zinc/09/05/93/412090593.db2.gz FDJTUVWNNADEPE-JTQLQIEISA-N 2 1 218.297 -0.691 20 0 BBADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1COCCO1 ZINC000662305321 412091893 /nfs/dbraw/zinc/09/18/93/412091893.db2.gz FDJTUVWNNADEPE-SNVBAGLBSA-N 2 1 218.297 -0.691 20 0 BBADMP CC[C@@H]1C(=O)N(CC)CC[N@@H+]1CCOCC[NH3+] ZINC000662305558 412090676 /nfs/dbraw/zinc/09/06/76/412090676.db2.gz JLOGPQSGISLROX-LLVKDONJSA-N 2 1 243.351 -0.096 20 0 BBADMP CC[C@@H]1C(=O)N(CC)CC[N@H+]1CCOCC[NH3+] ZINC000662305558 412090673 /nfs/dbraw/zinc/09/06/73/412090673.db2.gz JLOGPQSGISLROX-LLVKDONJSA-N 2 1 243.351 -0.096 20 0 BBADMP CC[C@H]1C(=O)N(CC)CC[N@@H+]1CCOCC[NH3+] ZINC000662305559 412090643 /nfs/dbraw/zinc/09/06/43/412090643.db2.gz JLOGPQSGISLROX-NSHDSACASA-N 2 1 243.351 -0.096 20 0 BBADMP CC[C@H]1C(=O)N(CC)CC[N@H+]1CCOCC[NH3+] ZINC000662305559 412090640 /nfs/dbraw/zinc/09/06/40/412090640.db2.gz JLOGPQSGISLROX-NSHDSACASA-N 2 1 243.351 -0.096 20 0 BBADMP [NH3+]CCC[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000662305598 412091865 /nfs/dbraw/zinc/09/18/65/412091865.db2.gz KTSKQTUNEJKETH-JTQLQIEISA-N 2 1 226.324 -0.175 20 0 BBADMP [NH3+]CCC[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000662305599 412090578 /nfs/dbraw/zinc/09/05/78/412090578.db2.gz KTSKQTUNEJKETH-SNVBAGLBSA-N 2 1 226.324 -0.175 20 0 BBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]1COCCO1 ZINC000662305636 412091913 /nfs/dbraw/zinc/09/19/13/412091913.db2.gz IYIGDQHNOZAISM-GFCCVEGCSA-N 2 1 243.351 -0.761 20 0 BBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H]1COCCO1 ZINC000662305637 412090990 /nfs/dbraw/zinc/09/09/90/412090990.db2.gz IYIGDQHNOZAISM-LBPRGKRZSA-N 2 1 243.351 -0.761 20 0 BBADMP CN(C)C(=O)CC[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662305833 412091425 /nfs/dbraw/zinc/09/14/25/412091425.db2.gz LMUFOEWCHXRIJA-UHFFFAOYSA-N 2 1 211.309 -0.112 20 0 BBADMP CN(C)C(=O)CC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662305833 412091422 /nfs/dbraw/zinc/09/14/22/412091422.db2.gz LMUFOEWCHXRIJA-UHFFFAOYSA-N 2 1 211.309 -0.112 20 0 BBADMP C[NH2+]CCC[N@@H+](C)C[C@H]1COCCO1 ZINC000662305980 412090556 /nfs/dbraw/zinc/09/05/56/412090556.db2.gz MNDSPGQWAMYEIN-JTQLQIEISA-N 2 1 202.298 -0.057 20 0 BBADMP C[NH2+]CCC[N@H+](C)C[C@H]1COCCO1 ZINC000662305980 412090553 /nfs/dbraw/zinc/09/05/53/412090553.db2.gz MNDSPGQWAMYEIN-JTQLQIEISA-N 2 1 202.298 -0.057 20 0 BBADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1COCCO1 ZINC000662305981 412090831 /nfs/dbraw/zinc/09/08/31/412090831.db2.gz MNDSPGQWAMYEIN-SNVBAGLBSA-N 2 1 202.298 -0.057 20 0 BBADMP C[NH2+]CCC[N@H+](C)C[C@@H]1COCCO1 ZINC000662305981 412090825 /nfs/dbraw/zinc/09/08/25/412090825.db2.gz MNDSPGQWAMYEIN-SNVBAGLBSA-N 2 1 202.298 -0.057 20 0 BBADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1COCCO1 ZINC000662306950 412092475 /nfs/dbraw/zinc/09/24/75/412092475.db2.gz SVQNYQIFPGZEGL-GHMZBOCLSA-N 2 1 214.309 -0.057 20 0 BBADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1COCCO1 ZINC000662306952 412093158 /nfs/dbraw/zinc/09/31/58/412093158.db2.gz SVQNYQIFPGZEGL-MNOVXSKESA-N 2 1 214.309 -0.057 20 0 BBADMP C[N@@H+](C[C@H]1CC[NH2+]C1)C[C@H]1COCCO1 ZINC000662306954 412092791 /nfs/dbraw/zinc/09/27/91/412092791.db2.gz SVQNYQIFPGZEGL-QWRGUYRKSA-N 2 1 214.309 -0.057 20 0 BBADMP C[N@@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1COCCO1 ZINC000662306955 412092690 /nfs/dbraw/zinc/09/26/90/412092690.db2.gz SVQNYQIFPGZEGL-WDEREUQCSA-N 2 1 214.309 -0.057 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)C[C@@H]1COCCO1 ZINC000662307634 412092406 /nfs/dbraw/zinc/09/24/06/412092406.db2.gz XVXMNVLBFOSVMC-GHMZBOCLSA-N 2 1 232.324 -0.696 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)C[C@@H]1COCCO1 ZINC000662307634 412092402 /nfs/dbraw/zinc/09/24/02/412092402.db2.gz XVXMNVLBFOSVMC-GHMZBOCLSA-N 2 1 232.324 -0.696 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)C[C@@H]1COCCO1 ZINC000662307636 412092922 /nfs/dbraw/zinc/09/29/22/412092922.db2.gz XVXMNVLBFOSVMC-MNOVXSKESA-N 2 1 232.324 -0.696 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+](C)C[C@@H]1COCCO1 ZINC000662307636 412092920 /nfs/dbraw/zinc/09/29/20/412092920.db2.gz XVXMNVLBFOSVMC-MNOVXSKESA-N 2 1 232.324 -0.696 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)C[C@H]1COCCO1 ZINC000662307639 412093138 /nfs/dbraw/zinc/09/31/38/412093138.db2.gz XVXMNVLBFOSVMC-QWRGUYRKSA-N 2 1 232.324 -0.696 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+](C)C[C@H]1COCCO1 ZINC000662307639 412093136 /nfs/dbraw/zinc/09/31/36/412093136.db2.gz XVXMNVLBFOSVMC-QWRGUYRKSA-N 2 1 232.324 -0.696 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)C[C@H]1COCCO1 ZINC000662307640 412093152 /nfs/dbraw/zinc/09/31/52/412093152.db2.gz XVXMNVLBFOSVMC-WDEREUQCSA-N 2 1 232.324 -0.696 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)C[C@H]1COCCO1 ZINC000662307640 412093150 /nfs/dbraw/zinc/09/31/50/412093150.db2.gz XVXMNVLBFOSVMC-WDEREUQCSA-N 2 1 232.324 -0.696 20 0 BBADMP C[C@@]12COC[C@H]1C[N@@H+](CCOCC[NH3+])C2 ZINC000662310489 412094521 /nfs/dbraw/zinc/09/45/21/412094521.db2.gz LENUTCBRZCZWTD-GHMZBOCLSA-N 2 1 214.309 -0.070 20 0 BBADMP C[C@]12COC[C@H]1C[N@@H+](CCOCC[NH3+])C2 ZINC000662310490 412094479 /nfs/dbraw/zinc/09/44/79/412094479.db2.gz LENUTCBRZCZWTD-MNOVXSKESA-N 2 1 214.309 -0.070 20 0 BBADMP C[C@]12COC[C@@H]1C[N@@H+](CCOCC[NH3+])C2 ZINC000662310591 412094139 /nfs/dbraw/zinc/09/41/39/412094139.db2.gz LENUTCBRZCZWTD-QWRGUYRKSA-N 2 1 214.309 -0.070 20 0 BBADMP C[C@@]12COC[C@@H]1C[N@@H+](CCOCC[NH3+])C2 ZINC000662310592 412093996 /nfs/dbraw/zinc/09/39/96/412093996.db2.gz LENUTCBRZCZWTD-WDEREUQCSA-N 2 1 214.309 -0.070 20 0 BBADMP C[C@@]12COC[C@H]1C[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC000662310905 412094960 /nfs/dbraw/zinc/09/49/60/412094960.db2.gz PBHYOURYVGREFB-CHWSQXEVSA-N 2 1 239.363 -0.140 20 0 BBADMP C[C@]12COC[C@H]1C[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC000662310907 412094111 /nfs/dbraw/zinc/09/41/11/412094111.db2.gz PBHYOURYVGREFB-OLZOCXBDSA-N 2 1 239.363 -0.140 20 0 BBADMP C[C@@]12COC[C@@H]1C[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC000662310908 412093771 /nfs/dbraw/zinc/09/37/71/412093771.db2.gz PBHYOURYVGREFB-QWHCGFSZSA-N 2 1 239.363 -0.140 20 0 BBADMP C[C@]12COC[C@@H]1C[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC000662310991 412094878 /nfs/dbraw/zinc/09/48/78/412094878.db2.gz PBHYOURYVGREFB-STQMWFEESA-N 2 1 239.363 -0.140 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000662311619 412091141 /nfs/dbraw/zinc/09/11/41/412091141.db2.gz UYHFEARBZHZMLY-SRVKXCTJSA-N 2 1 228.336 -0.075 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000662311620 412091942 /nfs/dbraw/zinc/09/19/42/412091942.db2.gz UYHFEARBZHZMLY-TUAOUCFPSA-N 2 1 228.336 -0.075 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000662311621 412091446 /nfs/dbraw/zinc/09/14/46/412091446.db2.gz UYHFEARBZHZMLY-UTUOFQBUSA-N 2 1 228.336 -0.075 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000662311622 412090885 /nfs/dbraw/zinc/09/08/85/412090885.db2.gz UYHFEARBZHZMLY-WOPDTQHZSA-N 2 1 228.336 -0.075 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC(=O)N(C)CC1 ZINC000662311683 412094396 /nfs/dbraw/zinc/09/43/96/412094396.db2.gz CKJPCJFPUWZQKN-LLVKDONJSA-N 2 1 229.324 -0.879 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC(=O)N(C)CC1 ZINC000662311683 412094395 /nfs/dbraw/zinc/09/43/95/412094395.db2.gz CKJPCJFPUWZQKN-LLVKDONJSA-N 2 1 229.324 -0.879 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC(=O)N(C)CC1 ZINC000662311685 412094083 /nfs/dbraw/zinc/09/40/83/412094083.db2.gz CKJPCJFPUWZQKN-NSHDSACASA-N 2 1 229.324 -0.879 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC(=O)N(C)CC1 ZINC000662311685 412094079 /nfs/dbraw/zinc/09/40/79/412094079.db2.gz CKJPCJFPUWZQKN-NSHDSACASA-N 2 1 229.324 -0.879 20 0 BBADMP CN1CC[N@@H+](CCOCC[NH3+])CCC1=O ZINC000662311771 412094425 /nfs/dbraw/zinc/09/44/25/412094425.db2.gz DXAJSJVYFCVBIF-UHFFFAOYSA-N 2 1 215.297 -0.874 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662314717 409634653 /nfs/dbraw/zinc/63/46/53/409634653.db2.gz BEFGCMIUOHKAII-SRVKXCTJSA-N 2 1 228.336 -0.075 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662314718 409634722 /nfs/dbraw/zinc/63/47/22/409634722.db2.gz BEFGCMIUOHKAII-TUAOUCFPSA-N 2 1 228.336 -0.075 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662314719 409635034 /nfs/dbraw/zinc/63/50/34/409635034.db2.gz BEFGCMIUOHKAII-UTUOFQBUSA-N 2 1 228.336 -0.075 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662314720 409634688 /nfs/dbraw/zinc/63/46/88/409634688.db2.gz BEFGCMIUOHKAII-WOPDTQHZSA-N 2 1 228.336 -0.075 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000662315082 412096608 /nfs/dbraw/zinc/09/66/08/412096608.db2.gz LFUNAHJXPZUUSR-GHMZBOCLSA-N 2 1 229.324 -0.846 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000662315100 412096663 /nfs/dbraw/zinc/09/66/63/412096663.db2.gz LFUNAHJXPZUUSR-MNOVXSKESA-N 2 1 229.324 -0.846 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000662315103 412096815 /nfs/dbraw/zinc/09/68/15/412096815.db2.gz LFUNAHJXPZUUSR-QWRGUYRKSA-N 2 1 229.324 -0.846 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000662315106 412095917 /nfs/dbraw/zinc/09/59/17/412095917.db2.gz LFUNAHJXPZUUSR-WDEREUQCSA-N 2 1 229.324 -0.846 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662317412 409636534 /nfs/dbraw/zinc/63/65/34/409636534.db2.gz ORQVLQQDNHUWPI-GHMZBOCLSA-N 2 1 214.309 -0.070 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662317413 409636182 /nfs/dbraw/zinc/63/61/82/409636182.db2.gz ORQVLQQDNHUWPI-MNOVXSKESA-N 2 1 214.309 -0.070 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662317414 409636211 /nfs/dbraw/zinc/63/62/11/409636211.db2.gz ORQVLQQDNHUWPI-QWRGUYRKSA-N 2 1 214.309 -0.070 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662317415 409637260 /nfs/dbraw/zinc/63/72/60/409637260.db2.gz ORQVLQQDNHUWPI-WDEREUQCSA-N 2 1 214.309 -0.070 20 0 BBADMP C(C[N@H+]1CC[C@@H]2COC[C@H]2C1)N1CC[NH2+]CC1 ZINC000662318269 409636399 /nfs/dbraw/zinc/63/63/99/409636399.db2.gz YMARYZLCWMMOOL-CHWSQXEVSA-N 2 1 239.363 -0.140 20 0 BBADMP C(C[N@H+]1CC[C@@H]2COC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000662318272 409637136 /nfs/dbraw/zinc/63/71/36/409637136.db2.gz YMARYZLCWMMOOL-OLZOCXBDSA-N 2 1 239.363 -0.140 20 0 BBADMP C(C[N@H+]1CC[C@H]2COC[C@H]2C1)N1CC[NH2+]CC1 ZINC000662318275 409637194 /nfs/dbraw/zinc/63/71/94/409637194.db2.gz YMARYZLCWMMOOL-QWHCGFSZSA-N 2 1 239.363 -0.140 20 0 BBADMP C(C[N@H+]1CC[C@H]2COC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000662318276 409636235 /nfs/dbraw/zinc/63/62/35/409636235.db2.gz YMARYZLCWMMOOL-STQMWFEESA-N 2 1 239.363 -0.140 20 0 BBADMP CC[C@@H]([NH2+]C)C(=O)NCCC[NH+]1CCOCC1 ZINC000662347113 409660740 /nfs/dbraw/zinc/66/07/40/409660740.db2.gz BAOTXLNBQQCETP-LLVKDONJSA-N 2 1 243.351 -0.177 20 0 BBADMP CC[C@H]([NH2+]C)C(=O)NCCC[NH+]1CCOCC1 ZINC000662347114 409660186 /nfs/dbraw/zinc/66/01/86/409660186.db2.gz BAOTXLNBQQCETP-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000662399225 412147448 /nfs/dbraw/zinc/14/74/48/412147448.db2.gz PYHITMMBMDXYKU-MNOVXSKESA-N 2 1 243.351 -0.193 20 0 BBADMP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000662399226 412147500 /nfs/dbraw/zinc/14/75/00/412147500.db2.gz PYHITMMBMDXYKU-QWRGUYRKSA-N 2 1 243.351 -0.193 20 0 BBADMP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000662401020 412149462 /nfs/dbraw/zinc/14/94/62/412149462.db2.gz KUMVJTTUMMIMAD-MNOVXSKESA-N 2 1 243.351 -0.051 20 0 BBADMP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000662401021 412148719 /nfs/dbraw/zinc/14/87/19/412148719.db2.gz KUMVJTTUMMIMAD-QWRGUYRKSA-N 2 1 243.351 -0.051 20 0 BBADMP CC(C)OC[C@H]([NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000662410346 412154104 /nfs/dbraw/zinc/15/41/04/412154104.db2.gz YLIWVVQOYHSWOL-NSHDSACASA-N 2 1 243.351 -0.051 20 0 BBADMP CC[C@H]([NH2+]C)C(=O)NCC[N@@H+](C)CCOC ZINC000662440022 412176622 /nfs/dbraw/zinc/17/66/22/412176622.db2.gz WGXUINGYBCXMEH-JTQLQIEISA-N 2 1 231.340 -0.321 20 0 BBADMP CC[C@@H]([NH2+]C)C(=O)NCC[N@@H+](C)CCOC ZINC000662440023 409718545 /nfs/dbraw/zinc/71/85/45/409718545.db2.gz WGXUINGYBCXMEH-SNVBAGLBSA-N 2 1 231.340 -0.321 20 0 BBADMP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000662452593 412179962 /nfs/dbraw/zinc/17/99/62/412179962.db2.gz MROGZGDIAPIGEY-GHMZBOCLSA-N 2 1 243.351 -0.179 20 0 BBADMP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000662452594 412180258 /nfs/dbraw/zinc/18/02/58/412180258.db2.gz MROGZGDIAPIGEY-MNOVXSKESA-N 2 1 243.351 -0.179 20 0 BBADMP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000662452595 412180134 /nfs/dbraw/zinc/18/01/34/412180134.db2.gz MROGZGDIAPIGEY-QWRGUYRKSA-N 2 1 243.351 -0.179 20 0 BBADMP CC[C@@H]([NH2+]C)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000662452596 412179311 /nfs/dbraw/zinc/17/93/11/412179311.db2.gz MROGZGDIAPIGEY-WDEREUQCSA-N 2 1 243.351 -0.179 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC(=O)C[NH2+]C(C)C)C1 ZINC000662453465 412179658 /nfs/dbraw/zinc/17/96/58/412179658.db2.gz ZQNMXCWVPOKYIA-LLVKDONJSA-N 2 1 243.351 -0.179 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)C[NH2+]C(C)C)C1 ZINC000662453466 412180559 /nfs/dbraw/zinc/18/05/59/412180559.db2.gz ZQNMXCWVPOKYIA-NSHDSACASA-N 2 1 243.351 -0.179 20 0 BBADMP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000662455160 412182090 /nfs/dbraw/zinc/18/20/90/412182090.db2.gz VHDFCICKVVHKDD-GHMZBOCLSA-N 2 1 242.367 -0.654 20 0 BBADMP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000662455166 412181690 /nfs/dbraw/zinc/18/16/90/412181690.db2.gz VHDFCICKVVHKDD-MNOVXSKESA-N 2 1 242.367 -0.654 20 0 BBADMP CC[C@H]([NH2+]C)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000662455168 412181315 /nfs/dbraw/zinc/18/13/15/412181315.db2.gz VHDFCICKVVHKDD-QWRGUYRKSA-N 2 1 242.367 -0.654 20 0 BBADMP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000662455170 412181576 /nfs/dbraw/zinc/18/15/76/412181576.db2.gz VHDFCICKVVHKDD-WDEREUQCSA-N 2 1 242.367 -0.654 20 0 BBADMP CC[C@@H]([NH2+]C)C(=O)NCC[N@H+]1CCCOCC1 ZINC000662536650 412209162 /nfs/dbraw/zinc/20/91/62/412209162.db2.gz OQBYRIOPQKXZQY-LLVKDONJSA-N 2 1 243.351 -0.177 20 0 BBADMP CC[C@@H]([NH2+]C)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000662536650 412209160 /nfs/dbraw/zinc/20/91/60/412209160.db2.gz OQBYRIOPQKXZQY-LLVKDONJSA-N 2 1 243.351 -0.177 20 0 BBADMP CC[C@H]([NH2+]C)C(=O)NCC[N@H+]1CCCOCC1 ZINC000662536652 412208835 /nfs/dbraw/zinc/20/88/35/412208835.db2.gz OQBYRIOPQKXZQY-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP CC[C@H]([NH2+]C)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000662536652 412208831 /nfs/dbraw/zinc/20/88/31/412208831.db2.gz OQBYRIOPQKXZQY-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP CC(C)[NH2+]CC(=O)NCC[N@H+]1CCCOCC1 ZINC000662537241 412208869 /nfs/dbraw/zinc/20/88/69/412208869.db2.gz YNQSYFOCIWRHGX-UHFFFAOYSA-N 2 1 243.351 -0.177 20 0 BBADMP CC(C)[NH2+]CC(=O)NCC[N@@H+]1CCCOCC1 ZINC000662537241 412208865 /nfs/dbraw/zinc/20/88/65/412208865.db2.gz YNQSYFOCIWRHGX-UHFFFAOYSA-N 2 1 243.351 -0.177 20 0 BBADMP CC(C)[NH2+]CC(=O)NCC(F)(F)C[NH3+] ZINC000662553301 409754132 /nfs/dbraw/zinc/75/41/32/409754132.db2.gz IDPQKJYZAFOCFO-UHFFFAOYSA-N 2 1 209.240 -0.305 20 0 BBADMP CC(C)OC[C@H]([NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000662553389 412215152 /nfs/dbraw/zinc/21/51/52/412215152.db2.gz JEMCUKHKORBTIH-ZETCQYMHSA-N 2 1 239.266 -0.551 20 0 BBADMP CC[C@H]([NH2+]C)C(=O)NCC(F)(F)C[NH3+] ZINC000662555654 412216007 /nfs/dbraw/zinc/21/60/07/412216007.db2.gz XNRMIBZHXQPLTI-LURJTMIESA-N 2 1 209.240 -0.305 20 0 BBADMP CC[C@@H]([NH2+]C)C(=O)NCC(F)(F)C[NH3+] ZINC000662555655 412216490 /nfs/dbraw/zinc/21/64/90/412216490.db2.gz XNRMIBZHXQPLTI-ZCFIWIBFSA-N 2 1 209.240 -0.305 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000662606255 412238869 /nfs/dbraw/zinc/23/88/69/412238869.db2.gz MRWBYNHSAWWXDZ-JTQLQIEISA-N 2 1 243.351 -0.097 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000662606255 412238864 /nfs/dbraw/zinc/23/88/64/412238864.db2.gz MRWBYNHSAWWXDZ-JTQLQIEISA-N 2 1 243.351 -0.097 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000662606259 412238977 /nfs/dbraw/zinc/23/89/77/412238977.db2.gz MRWBYNHSAWWXDZ-SNVBAGLBSA-N 2 1 243.351 -0.097 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000662606259 412238974 /nfs/dbraw/zinc/23/89/74/412238974.db2.gz MRWBYNHSAWWXDZ-SNVBAGLBSA-N 2 1 243.351 -0.097 20 0 BBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)COCC[NH3+])C1 ZINC000662623684 412245929 /nfs/dbraw/zinc/24/59/29/412245929.db2.gz ZWOQLDATVAYQHB-JTQLQIEISA-N 2 1 243.351 -0.049 20 0 BBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)COCC[NH3+])C1 ZINC000662623686 412246459 /nfs/dbraw/zinc/24/64/59/412246459.db2.gz ZWOQLDATVAYQHB-SNVBAGLBSA-N 2 1 243.351 -0.049 20 0 BBADMP C[C@@H]1C[N@@H+](CCNC(=O)CCC[NH3+])[C@H](C)CO1 ZINC000662629395 412249258 /nfs/dbraw/zinc/24/92/58/412249258.db2.gz DDESJDRCWQYBOK-GHMZBOCLSA-N 2 1 243.351 -0.049 20 0 BBADMP C[C@@H]1C[N@H+](CCNC(=O)CCC[NH3+])[C@H](C)CO1 ZINC000662629395 412249256 /nfs/dbraw/zinc/24/92/56/412249256.db2.gz DDESJDRCWQYBOK-GHMZBOCLSA-N 2 1 243.351 -0.049 20 0 BBADMP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CCC[NH3+] ZINC000662629398 412249291 /nfs/dbraw/zinc/24/92/91/412249291.db2.gz DDESJDRCWQYBOK-MNOVXSKESA-N 2 1 243.351 -0.049 20 0 BBADMP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CCC[NH3+] ZINC000662629398 412249288 /nfs/dbraw/zinc/24/92/88/412249288.db2.gz DDESJDRCWQYBOK-MNOVXSKESA-N 2 1 243.351 -0.049 20 0 BBADMP C[C@H]1C[N@@H+](CCNC(=O)CCC[NH3+])[C@@H](C)CO1 ZINC000662629401 412248794 /nfs/dbraw/zinc/24/87/94/412248794.db2.gz DDESJDRCWQYBOK-QWRGUYRKSA-N 2 1 243.351 -0.049 20 0 BBADMP C[C@H]1C[N@H+](CCNC(=O)CCC[NH3+])[C@@H](C)CO1 ZINC000662629401 412248792 /nfs/dbraw/zinc/24/87/92/412248792.db2.gz DDESJDRCWQYBOK-QWRGUYRKSA-N 2 1 243.351 -0.049 20 0 BBADMP C[C@@H]1C[N@@H+](CCNC(=O)CCC[NH3+])[C@@H](C)CO1 ZINC000662629402 412249278 /nfs/dbraw/zinc/24/92/78/412249278.db2.gz DDESJDRCWQYBOK-WDEREUQCSA-N 2 1 243.351 -0.049 20 0 BBADMP C[C@@H]1C[N@H+](CCNC(=O)CCC[NH3+])[C@@H](C)CO1 ZINC000662629402 412249277 /nfs/dbraw/zinc/24/92/77/412249277.db2.gz DDESJDRCWQYBOK-WDEREUQCSA-N 2 1 243.351 -0.049 20 0 BBADMP C[NH2+]CCC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000662633098 412251490 /nfs/dbraw/zinc/25/14/90/412251490.db2.gz JLPUFWPZSUQRSA-GHMZBOCLSA-N 2 1 243.351 -0.179 20 0 BBADMP C[NH2+]CCC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000662633098 412251486 /nfs/dbraw/zinc/25/14/86/412251486.db2.gz JLPUFWPZSUQRSA-GHMZBOCLSA-N 2 1 243.351 -0.179 20 0 BBADMP C[NH2+]CCC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000662633099 412251389 /nfs/dbraw/zinc/25/13/89/412251389.db2.gz JLPUFWPZSUQRSA-MNOVXSKESA-N 2 1 243.351 -0.179 20 0 BBADMP C[NH2+]CCC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000662633099 412251386 /nfs/dbraw/zinc/25/13/86/412251386.db2.gz JLPUFWPZSUQRSA-MNOVXSKESA-N 2 1 243.351 -0.179 20 0 BBADMP C[NH2+]CCC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000662633100 412250904 /nfs/dbraw/zinc/25/09/04/412250904.db2.gz JLPUFWPZSUQRSA-QWRGUYRKSA-N 2 1 243.351 -0.179 20 0 BBADMP C[NH2+]CCC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000662633100 412250901 /nfs/dbraw/zinc/25/09/01/412250901.db2.gz JLPUFWPZSUQRSA-QWRGUYRKSA-N 2 1 243.351 -0.179 20 0 BBADMP C[NH2+]CCC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662633101 412251350 /nfs/dbraw/zinc/25/13/50/412251350.db2.gz JLPUFWPZSUQRSA-WDEREUQCSA-N 2 1 243.351 -0.179 20 0 BBADMP C[NH2+]CCC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662633101 412251348 /nfs/dbraw/zinc/25/13/48/412251348.db2.gz JLPUFWPZSUQRSA-WDEREUQCSA-N 2 1 243.351 -0.179 20 0 BBADMP C[NH2+]CCC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662654459 412258328 /nfs/dbraw/zinc/25/83/28/412258328.db2.gz CULWNQOVSHJVJS-LLVKDONJSA-N 2 1 241.335 -0.471 20 0 BBADMP C[NH2+]CCC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662654461 412258827 /nfs/dbraw/zinc/25/88/27/412258827.db2.gz CULWNQOVSHJVJS-NSHDSACASA-N 2 1 241.335 -0.471 20 0 BBADMP [NH3+]CCCC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662655576 409818246 /nfs/dbraw/zinc/81/82/46/409818246.db2.gz JWBMHYFGCXABIJ-LLVKDONJSA-N 2 1 241.335 -0.342 20 0 BBADMP [NH3+]CCCC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662655577 409818056 /nfs/dbraw/zinc/81/80/56/409818056.db2.gz JWBMHYFGCXABIJ-NSHDSACASA-N 2 1 241.335 -0.342 20 0 BBADMP C[C@@H]([NH3+])CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662657334 412259495 /nfs/dbraw/zinc/25/94/95/412259495.db2.gz ZQFUXXMGDDTAJC-GHMZBOCLSA-N 2 1 241.335 -0.343 20 0 BBADMP C[C@@H]([NH3+])CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662657335 412259371 /nfs/dbraw/zinc/25/93/71/412259371.db2.gz ZQFUXXMGDDTAJC-MNOVXSKESA-N 2 1 241.335 -0.343 20 0 BBADMP CC[NH+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662658949 409819824 /nfs/dbraw/zinc/81/98/24/409819824.db2.gz GRWDGQHLMNLWGK-MGCOHNPYSA-N 2 1 211.309 -0.112 20 0 BBADMP [NH3+][C@H]1C[C@H](C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000662660393 490122515 /nfs/dbraw/zinc/12/25/15/490122515.db2.gz VYSQHOHGXQYPGM-XYPYZODXSA-N 2 1 241.335 -0.438 20 0 BBADMP CC[NH+]1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662660664 412261422 /nfs/dbraw/zinc/26/14/22/412261422.db2.gz YFDRKSYTMDAFAO-GHMZBOCLSA-N 2 1 241.335 -0.486 20 0 BBADMP CC[NH+]1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662660665 412261334 /nfs/dbraw/zinc/26/13/34/412261334.db2.gz YFDRKSYTMDAFAO-MNOVXSKESA-N 2 1 241.335 -0.486 20 0 BBADMP CC[NH+]1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662660666 412261274 /nfs/dbraw/zinc/26/12/74/412261274.db2.gz YFDRKSYTMDAFAO-QWRGUYRKSA-N 2 1 241.335 -0.486 20 0 BBADMP CC[NH+]1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662660667 412261294 /nfs/dbraw/zinc/26/12/94/412261294.db2.gz YFDRKSYTMDAFAO-WDEREUQCSA-N 2 1 241.335 -0.486 20 0 BBADMP COCC[NH+]1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000662669161 412265830 /nfs/dbraw/zinc/26/58/30/412265830.db2.gz AKVQTUNCZRWZLF-UHFFFAOYSA-N 2 1 241.335 -0.342 20 0 BBADMP CC[C@@H]([NH2+]C)C(=O)N1CC[NH+](CCOC)CC1 ZINC000662670053 412265949 /nfs/dbraw/zinc/26/59/49/412265949.db2.gz JABQNHFETHRIKM-LLVKDONJSA-N 2 1 243.351 -0.225 20 0 BBADMP CC[C@H]([NH2+]C)C(=O)N1CC[NH+](CCOC)CC1 ZINC000662670067 412266250 /nfs/dbraw/zinc/26/62/50/412266250.db2.gz JABQNHFETHRIKM-NSHDSACASA-N 2 1 243.351 -0.225 20 0 BBADMP COCC[NH+]1CCN(C(=O)C[NH2+]C(C)C)CC1 ZINC000662670846 412265757 /nfs/dbraw/zinc/26/57/57/412265757.db2.gz NGOVZAVHNIACEJ-UHFFFAOYSA-N 2 1 243.351 -0.225 20 0 BBADMP COCC[NH+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662671299 412266559 /nfs/dbraw/zinc/26/65/59/412266559.db2.gz TYZMBKQNXPXCSV-XYPYZODXSA-N 2 1 241.335 -0.486 20 0 BBADMP C[C@H]1CCCC[N@H+]1CCNC(=O)C1(O)C[NH2+]C1 ZINC000662680532 409830385 /nfs/dbraw/zinc/83/03/85/409830385.db2.gz ITIQSKKHQOSCPZ-JTQLQIEISA-N 2 1 241.335 -0.689 20 0 BBADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)C1(O)C[NH2+]C1 ZINC000662680533 409830093 /nfs/dbraw/zinc/83/00/93/409830093.db2.gz ITIQSKKHQOSCPZ-SNVBAGLBSA-N 2 1 241.335 -0.689 20 0 BBADMP Cc1[nH+]ccn1CCCNC(=O)C1(O)C[NH2+]C1 ZINC000662680758 412268291 /nfs/dbraw/zinc/26/82/91/412268291.db2.gz XNHMRWPDAFYLFK-UHFFFAOYSA-N 2 1 238.291 -0.968 20 0 BBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662680956 412268832 /nfs/dbraw/zinc/26/88/32/412268832.db2.gz PQRSDLOPFDZEGJ-JTQLQIEISA-N 2 1 241.335 -0.831 20 0 BBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662680957 412268816 /nfs/dbraw/zinc/26/88/16/412268816.db2.gz PQRSDLOPFDZEGJ-SNVBAGLBSA-N 2 1 241.335 -0.831 20 0 BBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662682290 412269713 /nfs/dbraw/zinc/26/97/13/412269713.db2.gz QMQZGAOEGCMYQD-GUBZILKMSA-N 2 1 211.309 -0.208 20 0 BBADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662682291 412269506 /nfs/dbraw/zinc/26/95/06/412269506.db2.gz QMQZGAOEGCMYQD-OPRDCNLKSA-N 2 1 211.309 -0.208 20 0 BBADMP [NH3+]CC(F)(F)CC(=O)N1CC2CC1(C[NH3+])C2 ZINC000662682881 412269854 /nfs/dbraw/zinc/26/98/54/412269854.db2.gz KFSKGQOCBOMTAU-UHFFFAOYSA-N 2 1 233.262 -0.080 20 0 BBADMP [NH3+][C@H]1C[C@H](C(=O)NCC[NH+]2CCSCC2)C1 ZINC000662683110 409834260 /nfs/dbraw/zinc/83/42/60/409834260.db2.gz VUHZZEHXLFIYHY-MGCOHNPYSA-N 2 1 243.376 -0.111 20 0 BBADMP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)C1(O)C[NH2+]C1 ZINC000662683125 409833878 /nfs/dbraw/zinc/83/38/78/409833878.db2.gz WNFSIFFOWFQMBM-UWVGGRQHSA-N 2 1 239.319 -0.936 20 0 BBADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1(O)C[NH2+]C1 ZINC000662683126 409831741 /nfs/dbraw/zinc/83/17/41/409831741.db2.gz WNFSIFFOWFQMBM-VHSXEESVSA-N 2 1 239.319 -0.936 20 0 BBADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1(O)C[NH2+]C1 ZINC000662683127 409834438 /nfs/dbraw/zinc/83/44/38/409834438.db2.gz WNFSIFFOWFQMBM-ZJUUUORDSA-N 2 1 239.319 -0.936 20 0 BBADMP COCC[N@@H+](C)CCCNC(=O)CC1([NH3+])CC1 ZINC000662684869 412270610 /nfs/dbraw/zinc/27/06/10/412270610.db2.gz KRHOYJTYIOZTCE-UHFFFAOYSA-N 2 1 243.351 -0.048 20 0 BBADMP COCC[N@@H+](C)CCCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662684984 412270723 /nfs/dbraw/zinc/27/07/23/412270723.db2.gz MSVCGLSUHIALJP-XYPYZODXSA-N 2 1 243.351 -0.192 20 0 BBADMP O=C(NCCCCn1ccnc1)C1(O)CNC1 ZINC000662688764 412272153 /nfs/dbraw/zinc/27/21/53/412272153.db2.gz BEHNYNJKOPEJGM-UHFFFAOYSA-N 2 1 238.291 -0.886 20 0 BBADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662691357 409836829 /nfs/dbraw/zinc/83/68/29/409836829.db2.gz HEUMWCOYRCYVFY-JTQLQIEISA-N 2 1 241.335 -0.833 20 0 BBADMP CC(C)[N@H+]1CC[C@H](CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662691358 409835261 /nfs/dbraw/zinc/83/52/61/409835261.db2.gz HEUMWCOYRCYVFY-SNVBAGLBSA-N 2 1 241.335 -0.833 20 0 BBADMP C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662694397 412274206 /nfs/dbraw/zinc/27/42/06/412274206.db2.gz VEVWYZKGBXIMDH-GUBZILKMSA-N 2 1 211.309 -0.066 20 0 BBADMP C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662694398 412274544 /nfs/dbraw/zinc/27/45/44/412274544.db2.gz VEVWYZKGBXIMDH-OPRDCNLKSA-N 2 1 211.309 -0.066 20 0 BBADMP COc1ccncc1NC(=O)C1(O)CNC1 ZINC000662700401 412275496 /nfs/dbraw/zinc/27/54/96/412275496.db2.gz HHFZWBXOGNKOHU-UHFFFAOYSA-N 2 1 223.232 -0.637 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662704371 412276372 /nfs/dbraw/zinc/27/63/72/412276372.db2.gz ZYKIOHOAFLXLFL-MGCOHNPYSA-N 2 1 229.324 -0.582 20 0 BBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C1(O)C[NH2+]C1 ZINC000662710824 412278890 /nfs/dbraw/zinc/27/88/90/412278890.db2.gz JWROHKHYHRFOMB-SECBINFHSA-N 2 1 229.324 -0.833 20 0 BBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C1(O)C[NH2+]C1 ZINC000662710827 412278329 /nfs/dbraw/zinc/27/83/29/412278329.db2.gz JWROHKHYHRFOMB-VIFPVBQESA-N 2 1 229.324 -0.833 20 0 BBADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662713108 412280114 /nfs/dbraw/zinc/28/01/14/412280114.db2.gz UUZDYKLHELBRAR-GHMZBOCLSA-N 2 1 243.351 -0.193 20 0 BBADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662713109 412279820 /nfs/dbraw/zinc/27/98/20/412279820.db2.gz UUZDYKLHELBRAR-MNOVXSKESA-N 2 1 243.351 -0.193 20 0 BBADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662713111 412279908 /nfs/dbraw/zinc/27/99/08/412279908.db2.gz UUZDYKLHELBRAR-QWRGUYRKSA-N 2 1 243.351 -0.193 20 0 BBADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662713112 412280310 /nfs/dbraw/zinc/28/03/10/412280310.db2.gz UUZDYKLHELBRAR-WDEREUQCSA-N 2 1 243.351 -0.193 20 0 BBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C1(O)C[NH2+]C1 ZINC000662714397 409867770 /nfs/dbraw/zinc/86/77/70/409867770.db2.gz HTQBSGOWBDPSFD-JTQLQIEISA-N 2 1 241.335 -0.689 20 0 BBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C1(O)C[NH2+]C1 ZINC000662714399 409866887 /nfs/dbraw/zinc/86/68/87/409866887.db2.gz HTQBSGOWBDPSFD-SNVBAGLBSA-N 2 1 241.335 -0.689 20 0 BBADMP [NH3+]CC(F)(F)CC(=O)NCC12CC(C1)C[NH2+]2 ZINC000662715198 412281122 /nfs/dbraw/zinc/28/11/22/412281122.db2.gz PKBYHLZKNRUGJV-UHFFFAOYSA-N 2 1 233.262 -0.161 20 0 BBADMP CN(C(=O)C1(O)C[NH2+]C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000662720272 412283764 /nfs/dbraw/zinc/28/37/64/412283764.db2.gz YFUXXTTYXYNYQU-JTQLQIEISA-N 2 1 239.319 -0.984 20 0 BBADMP CN(C(=O)C1(O)C[NH2+]C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000662720273 412283502 /nfs/dbraw/zinc/28/35/02/412283502.db2.gz YFUXXTTYXYNYQU-SNVBAGLBSA-N 2 1 239.319 -0.984 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000662721382 412283548 /nfs/dbraw/zinc/28/35/48/412283548.db2.gz OOYCQQSLVFKDCK-JTQLQIEISA-N 2 1 241.335 -0.295 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000662721384 412283009 /nfs/dbraw/zinc/28/30/09/412283009.db2.gz OOYCQQSLVFKDCK-SNVBAGLBSA-N 2 1 241.335 -0.295 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662721693 412283530 /nfs/dbraw/zinc/28/35/30/412283530.db2.gz VIZZBQLTXDVSTM-DCAQKATOSA-N 2 1 241.335 -0.439 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662721794 412283761 /nfs/dbraw/zinc/28/37/61/412283761.db2.gz VIZZBQLTXDVSTM-GMTAPVOTSA-N 2 1 241.335 -0.439 20 0 BBADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662743231 412289591 /nfs/dbraw/zinc/28/95/91/412289591.db2.gz LTPGZTLOXSNPDT-XYPYZODXSA-N 2 1 243.351 -0.192 20 0 BBADMP COCCC[N@@H+](C)CCNC(=O)CC1([NH3+])CC1 ZINC000662744202 412289982 /nfs/dbraw/zinc/28/99/82/412289982.db2.gz XUQXUYSBNZIWOD-UHFFFAOYSA-N 2 1 243.351 -0.048 20 0 BBADMP C[C@@H]1C[C@H](N(C)C(=O)C2(O)C[NH2+]C2)CC[N@H+]1C ZINC000662744292 412290050 /nfs/dbraw/zinc/29/00/50/412290050.db2.gz CZEIHVHWOPJGSX-NXEZZACHSA-N 2 1 241.335 -0.738 20 0 BBADMP C[C@H]1C[C@@H](N(C)C(=O)C2(O)C[NH2+]C2)CC[N@H+]1C ZINC000662744293 412289927 /nfs/dbraw/zinc/28/99/27/412289927.db2.gz CZEIHVHWOPJGSX-UWVGGRQHSA-N 2 1 241.335 -0.738 20 0 BBADMP C[C@H]1C[C@H](N(C)C(=O)C2(O)C[NH2+]C2)CC[N@H+]1C ZINC000662744294 412290467 /nfs/dbraw/zinc/29/04/67/412290467.db2.gz CZEIHVHWOPJGSX-VHSXEESVSA-N 2 1 241.335 -0.738 20 0 BBADMP C[C@@H]1C[C@@H](N(C)C(=O)C2(O)C[NH2+]C2)CC[N@H+]1C ZINC000662744295 412289827 /nfs/dbraw/zinc/28/98/27/412289827.db2.gz CZEIHVHWOPJGSX-ZJUUUORDSA-N 2 1 241.335 -0.738 20 0 BBADMP [NH3+]CC(F)(F)CC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662747742 412290218 /nfs/dbraw/zinc/29/02/18/412290218.db2.gz ACQGVOOMQYIEGQ-RNFRBKRXSA-N 2 1 239.241 -0.132 20 0 BBADMP CN(C)c1cc(NC(=O)C2(O)CNC2)ccn1 ZINC000662750210 412290964 /nfs/dbraw/zinc/29/09/64/412290964.db2.gz LBAALAZLQRIJNJ-UHFFFAOYSA-N 2 1 236.275 -0.580 20 0 BBADMP C[NH+]1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662763285 412293784 /nfs/dbraw/zinc/29/37/84/412293784.db2.gz VAODRXGPQDOLLP-NXEZZACHSA-N 2 1 227.308 -0.876 20 0 BBADMP C[NH+]1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662763286 412293641 /nfs/dbraw/zinc/29/36/41/412293641.db2.gz VAODRXGPQDOLLP-UWVGGRQHSA-N 2 1 227.308 -0.876 20 0 BBADMP C[NH+]1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662763287 412293755 /nfs/dbraw/zinc/29/37/55/412293755.db2.gz VAODRXGPQDOLLP-VHSXEESVSA-N 2 1 227.308 -0.876 20 0 BBADMP C[NH+]1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662763288 412293829 /nfs/dbraw/zinc/29/38/29/412293829.db2.gz VAODRXGPQDOLLP-ZJUUUORDSA-N 2 1 227.308 -0.876 20 0 BBADMP C[N@H+]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662765339 412294687 /nfs/dbraw/zinc/29/46/87/412294687.db2.gz FRLLFUNGBLEFIG-MGCOHNPYSA-N 2 1 211.309 -0.112 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)CC1([NH3+])CC1 ZINC000662765607 412294643 /nfs/dbraw/zinc/29/46/43/412294643.db2.gz BNCYKICEEWZNAW-UHFFFAOYSA-N 2 1 207.224 -0.422 20 0 BBADMP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[N@@H+](C)CC1 ZINC000662765716 412294422 /nfs/dbraw/zinc/29/44/22/412294422.db2.gz HYTLPDAMURMDIE-NSHDSACASA-N 2 1 243.351 -0.097 20 0 BBADMP C[N@H+]1CCCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662766722 412295869 /nfs/dbraw/zinc/29/58/69/412295869.db2.gz OFZWFWBLLYKNAY-GHMZBOCLSA-N 2 1 241.335 -0.486 20 0 BBADMP C[N@H+]1CCCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662766723 412295568 /nfs/dbraw/zinc/29/55/68/412295568.db2.gz OFZWFWBLLYKNAY-MNOVXSKESA-N 2 1 241.335 -0.486 20 0 BBADMP C[N@H+]1CCCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662766724 412295588 /nfs/dbraw/zinc/29/55/88/412295588.db2.gz OFZWFWBLLYKNAY-QWRGUYRKSA-N 2 1 241.335 -0.486 20 0 BBADMP C[N@H+]1CCCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662766725 412295947 /nfs/dbraw/zinc/29/59/47/412295947.db2.gz OFZWFWBLLYKNAY-WDEREUQCSA-N 2 1 241.335 -0.486 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662767623 412295511 /nfs/dbraw/zinc/29/55/11/412295511.db2.gz XIUTVYYRGLKMNI-IZLXSQMJSA-N 2 1 207.224 -0.566 20 0 BBADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000662767712 412295749 /nfs/dbraw/zinc/29/57/49/412295749.db2.gz YVKJPQNRKJFYTQ-BQBZGAKWSA-N 2 1 237.250 -0.940 20 0 BBADMP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000662767713 412296322 /nfs/dbraw/zinc/29/63/22/412296322.db2.gz YVKJPQNRKJFYTQ-NKWVEPMBSA-N 2 1 237.250 -0.940 20 0 BBADMP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000662767714 412295904 /nfs/dbraw/zinc/29/59/04/412295904.db2.gz YVKJPQNRKJFYTQ-RNFRBKRXSA-N 2 1 237.250 -0.940 20 0 BBADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000662767715 412295709 /nfs/dbraw/zinc/29/57/09/412295709.db2.gz YVKJPQNRKJFYTQ-RQJHMYQMSA-N 2 1 237.250 -0.940 20 0 BBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662783392 412300890 /nfs/dbraw/zinc/30/08/90/412300890.db2.gz KQDZSEKNJNNJHQ-FXPVBKGRSA-N 2 1 229.299 -0.116 20 0 BBADMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662783395 412300435 /nfs/dbraw/zinc/30/04/35/412300435.db2.gz KQDZSEKNJNNJHQ-QXEWZRGKSA-N 2 1 229.299 -0.116 20 0 BBADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000662790667 412304207 /nfs/dbraw/zinc/30/42/07/412304207.db2.gz FBJGJPZXPQRVRH-JTQLQIEISA-N 2 1 243.351 -0.443 20 0 BBADMP [NH3+][C@H]1C[C@H](C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000662797516 412304838 /nfs/dbraw/zinc/30/48/38/412304838.db2.gz KUFHTQWGCGOERC-XYPYZODXSA-N 2 1 241.335 -0.438 20 0 BBADMP [NH3+]C1(CC(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000662799196 412306739 /nfs/dbraw/zinc/30/67/39/412306739.db2.gz UWNVTFSITFOVNZ-UHFFFAOYSA-N 2 1 241.335 -0.294 20 0 BBADMP CC(C)[N@H+]1CCCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662821538 412310944 /nfs/dbraw/zinc/31/09/44/412310944.db2.gz GYHFNALJEJCLPF-UHFFFAOYSA-N 2 1 241.335 -0.737 20 0 BBADMP CC(C)C[N@@H+](C)CCCNC(=O)C1(O)C[NH2+]C1 ZINC000662828250 412307594 /nfs/dbraw/zinc/30/75/94/412307594.db2.gz VBTZXJBTJZQDDQ-UHFFFAOYSA-N 2 1 243.351 -0.585 20 0 BBADMP CN(CC(C)(C)[NH3+])C(=O)[C@H]1CSC[NH2+]1 ZINC000662841847 412318304 /nfs/dbraw/zinc/31/83/04/412318304.db2.gz CODYIFASQCBDNG-SSDOTTSWSA-N 2 1 217.338 -0.155 20 0 BBADMP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1CSC[NH2+]1 ZINC000662841858 412318117 /nfs/dbraw/zinc/31/81/17/412318117.db2.gz CODYIFASQCBDNG-ZETCQYMHSA-N 2 1 217.338 -0.155 20 0 BBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000662854178 412324847 /nfs/dbraw/zinc/32/48/47/412324847.db2.gz SDOOCFNQZZMDRX-SECBINFHSA-N 2 1 241.335 -0.690 20 0 BBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000662854179 412324481 /nfs/dbraw/zinc/32/44/81/412324481.db2.gz SDOOCFNQZZMDRX-VIFPVBQESA-N 2 1 241.335 -0.690 20 0 BBADMP [NH3+]C1(CNC(=O)[C@@H]2COCC[NH2+]2)CCCC1 ZINC000662865239 412329293 /nfs/dbraw/zinc/32/92/93/412329293.db2.gz MLXBZMDQDVOCRT-VIFPVBQESA-N 2 1 227.308 -0.638 20 0 BBADMP [NH3+]CC12CC(C1)CN2C(=O)[C@H]1CSC[NH2+]1 ZINC000662877336 412333582 /nfs/dbraw/zinc/33/35/82/412333582.db2.gz UTJIHRJRQZTNLA-CCNFQMFXSA-N 2 1 227.333 -0.401 20 0 BBADMP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1CSC[NH2+]1 ZINC000662877338 412333595 /nfs/dbraw/zinc/33/35/95/412333595.db2.gz UTJIHRJRQZTNLA-ZCUBBSJVSA-N 2 1 227.333 -0.401 20 0 BBADMP O=C(NCC12CC(C1)C[NH2+]2)[C@H]1CSC[NH2+]1 ZINC000662923487 412346241 /nfs/dbraw/zinc/34/62/41/412346241.db2.gz WNWKZMWCCPABTF-CCNFQMFXSA-N 2 1 227.333 -0.483 20 0 BBADMP O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1CSC[NH2+]1 ZINC000662923489 412346127 /nfs/dbraw/zinc/34/61/27/412346127.db2.gz WNWKZMWCCPABTF-ZCUBBSJVSA-N 2 1 227.333 -0.483 20 0 BBADMP [NH3+][C@@H]1CN(C(=O)[C@H]2CSC[NH2+]2)CC[C@H]1F ZINC000662943785 412351607 /nfs/dbraw/zinc/35/16/07/412351607.db2.gz CRGVFILISWHKRE-BWZBUEFSSA-N 2 1 233.312 -0.453 20 0 BBADMP [NH3+][C@@H]1CN(C(=O)[C@@H]2CSC[NH2+]2)CC[C@H]1F ZINC000662943786 412351710 /nfs/dbraw/zinc/35/17/10/412351710.db2.gz CRGVFILISWHKRE-PRJMDXOYSA-N 2 1 233.312 -0.453 20 0 BBADMP C[NH2+]C[C@H](C)NC(=O)c1csc(C[NH3+])n1 ZINC000662952019 412352127 /nfs/dbraw/zinc/35/21/27/412352127.db2.gz BNNVPEVOERMDBQ-LURJTMIESA-N 2 1 228.321 -0.061 20 0 BBADMP C[NH2+]C[C@@H](C)NC(=O)c1csc(C[NH3+])n1 ZINC000662952022 412352327 /nfs/dbraw/zinc/35/23/27/412352327.db2.gz BNNVPEVOERMDBQ-ZCFIWIBFSA-N 2 1 228.321 -0.061 20 0 BBADMP C[NH2+]C[C@H](C)NC(=O)[C@@H]1CSC[NH2+]1 ZINC000662954516 412353853 /nfs/dbraw/zinc/35/38/53/412353853.db2.gz VZZSZBGUGHRSDF-BQBZGAKWSA-N 2 1 203.311 -0.627 20 0 BBADMP C[NH2+]C[C@H](C)NC(=O)[C@H]1CSC[NH2+]1 ZINC000662954523 412354021 /nfs/dbraw/zinc/35/40/21/412354021.db2.gz VZZSZBGUGHRSDF-NKWVEPMBSA-N 2 1 203.311 -0.627 20 0 BBADMP C[NH2+]C[C@@H](C)NC(=O)[C@H]1CSC[NH2+]1 ZINC000662954524 412353913 /nfs/dbraw/zinc/35/39/13/412353913.db2.gz VZZSZBGUGHRSDF-RNFRBKRXSA-N 2 1 203.311 -0.627 20 0 BBADMP C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CSC[NH2+]1 ZINC000662954526 412353405 /nfs/dbraw/zinc/35/34/05/412353405.db2.gz VZZSZBGUGHRSDF-RQJHMYQMSA-N 2 1 203.311 -0.627 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH2+]C)C1 ZINC000662964652 412357492 /nfs/dbraw/zinc/35/74/92/412357492.db2.gz DNOJTCPYETZXMP-NXEZZACHSA-N 2 1 229.324 -0.569 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH2+]C)C1 ZINC000662964652 412357489 /nfs/dbraw/zinc/35/74/89/412357489.db2.gz DNOJTCPYETZXMP-NXEZZACHSA-N 2 1 229.324 -0.569 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000662964653 412357820 /nfs/dbraw/zinc/35/78/20/412357820.db2.gz DNOJTCPYETZXMP-UWVGGRQHSA-N 2 1 229.324 -0.569 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000662964653 412357815 /nfs/dbraw/zinc/35/78/15/412357815.db2.gz DNOJTCPYETZXMP-UWVGGRQHSA-N 2 1 229.324 -0.569 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000662964654 412357936 /nfs/dbraw/zinc/35/79/36/412357936.db2.gz DNOJTCPYETZXMP-VHSXEESVSA-N 2 1 229.324 -0.569 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000662964654 412357933 /nfs/dbraw/zinc/35/79/33/412357933.db2.gz DNOJTCPYETZXMP-VHSXEESVSA-N 2 1 229.324 -0.569 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH2+]C)C1 ZINC000662964655 412358162 /nfs/dbraw/zinc/35/81/62/412358162.db2.gz DNOJTCPYETZXMP-ZJUUUORDSA-N 2 1 229.324 -0.569 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH2+]C)C1 ZINC000662964655 412358160 /nfs/dbraw/zinc/35/81/60/412358160.db2.gz DNOJTCPYETZXMP-ZJUUUORDSA-N 2 1 229.324 -0.569 20 0 BBADMP C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000662964790 412357753 /nfs/dbraw/zinc/35/77/53/412357753.db2.gz JEUGIZNNCKYWQL-GHMZBOCLSA-N 2 1 242.367 -0.654 20 0 BBADMP C[NH2+]C[C@@H](C)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000662964791 412357713 /nfs/dbraw/zinc/35/77/13/412357713.db2.gz JEUGIZNNCKYWQL-MNOVXSKESA-N 2 1 242.367 -0.654 20 0 BBADMP C[NH2+]C[C@H](C)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000662964810 487773137 /nfs/dbraw/zinc/77/31/37/487773137.db2.gz JEUGIZNNCKYWQL-QWRGUYRKSA-N 2 1 242.367 -0.654 20 0 BBADMP C[NH2+]C[C@H](C)NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000662964814 487773203 /nfs/dbraw/zinc/77/32/03/487773203.db2.gz JEUGIZNNCKYWQL-WDEREUQCSA-N 2 1 242.367 -0.654 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@]2(C)CC[NH2+]C2)C1 ZINC000663009166 412368828 /nfs/dbraw/zinc/36/88/28/412368828.db2.gz APYMIBNYGNQNAL-CMPLNLGQSA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@]2(C)CC[NH2+]C2)C1 ZINC000663009166 412368826 /nfs/dbraw/zinc/36/88/26/412368826.db2.gz APYMIBNYGNQNAL-CMPLNLGQSA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@]2(C)CC[NH2+]C2)C1 ZINC000663009168 412368677 /nfs/dbraw/zinc/36/86/77/412368677.db2.gz APYMIBNYGNQNAL-JQWIXIFHSA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@]2(C)CC[NH2+]C2)C1 ZINC000663009168 412368673 /nfs/dbraw/zinc/36/86/73/412368673.db2.gz APYMIBNYGNQNAL-JQWIXIFHSA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[NH2+]C2)C1 ZINC000663009169 412368707 /nfs/dbraw/zinc/36/87/07/412368707.db2.gz APYMIBNYGNQNAL-PWSUYJOCSA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[NH2+]C2)C1 ZINC000663009169 412368704 /nfs/dbraw/zinc/36/87/04/412368704.db2.gz APYMIBNYGNQNAL-PWSUYJOCSA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@]2(C)CC[NH2+]C2)C1 ZINC000663009170 412368656 /nfs/dbraw/zinc/36/86/56/412368656.db2.gz APYMIBNYGNQNAL-ZYHUDNBSSA-N 2 1 241.335 -0.425 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@]2(C)CC[NH2+]C2)C1 ZINC000663009170 412368654 /nfs/dbraw/zinc/36/86/54/412368654.db2.gz APYMIBNYGNQNAL-ZYHUDNBSSA-N 2 1 241.335 -0.425 20 0 BBADMP [NH3+]CC(F)(F)CC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663217421 412393182 /nfs/dbraw/zinc/39/31/82/412393182.db2.gz JMEYBDBBSOIBDM-UHFFFAOYSA-N 2 1 249.261 -0.829 20 0 BBADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1C[C@H](O)C1)C1CC1 ZINC000663375007 411640515 /nfs/dbraw/zinc/64/05/15/411640515.db2.gz RAWGGXATXXGTHE-FBIMIBRVSA-N 2 1 214.309 -0.446 20 0 BBADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1C[C@H](O)C1)C1CC1 ZINC000663375007 411640510 /nfs/dbraw/zinc/64/05/10/411640510.db2.gz RAWGGXATXXGTHE-FBIMIBRVSA-N 2 1 214.309 -0.446 20 0 BBADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1C[C@H](O)C1)C1CC1 ZINC000663375008 411641275 /nfs/dbraw/zinc/64/12/75/411641275.db2.gz RAWGGXATXXGTHE-LSJOCFKGSA-N 2 1 214.309 -0.446 20 0 BBADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1C[C@H](O)C1)C1CC1 ZINC000663375008 411641273 /nfs/dbraw/zinc/64/12/73/411641273.db2.gz RAWGGXATXXGTHE-LSJOCFKGSA-N 2 1 214.309 -0.446 20 0 BBADMP C[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)CCN1C ZINC000663458094 411660998 /nfs/dbraw/zinc/66/09/98/411660998.db2.gz RYKCEPPIGWXCQW-AEJSXWLSSA-N 2 1 211.309 -0.053 20 0 BBADMP C[C@H]1C[C@H](N[C@H]2CCNC2=O)CC[N@H+]1C ZINC000663458094 411660996 /nfs/dbraw/zinc/66/09/96/411660996.db2.gz RYKCEPPIGWXCQW-AEJSXWLSSA-N 2 1 211.309 -0.053 20 0 BBADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)CCN1C ZINC000663458097 411661171 /nfs/dbraw/zinc/66/11/71/411661171.db2.gz RYKCEPPIGWXCQW-GUBZILKMSA-N 2 1 211.309 -0.053 20 0 BBADMP C[C@H]1C[C@@H](N[C@H]2CCNC2=O)CC[N@H+]1C ZINC000663458097 411661166 /nfs/dbraw/zinc/66/11/66/411661166.db2.gz RYKCEPPIGWXCQW-GUBZILKMSA-N 2 1 211.309 -0.053 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663489338 411671466 /nfs/dbraw/zinc/67/14/66/411671466.db2.gz OKIRSAYWLNOIBC-UHFFFAOYSA-N 2 1 241.335 -0.473 20 0 BBADMP CCC[N@@H+](C)CC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663490656 411670625 /nfs/dbraw/zinc/67/06/25/411670625.db2.gz WPHYEPGVKLVBDE-UHFFFAOYSA-N 2 1 241.335 -0.471 20 0 BBADMP C(CN1CC[NH2+]CC1)NC[C@]12C[C@H]1C[NH2+]C2 ZINC000663494319 411672830 /nfs/dbraw/zinc/67/28/30/411672830.db2.gz NUMYZMYWCDVYDR-RYUDHWBXSA-N 2 1 224.352 -0.909 20 0 BBADMP C(CN1CC[NH2+]CC1)NC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663494321 411673232 /nfs/dbraw/zinc/67/32/32/411673232.db2.gz NUMYZMYWCDVYDR-VXGBXAGGSA-N 2 1 224.352 -0.909 20 0 BBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663496347 411676923 /nfs/dbraw/zinc/67/69/23/411676923.db2.gz USSLROJVKSAPQF-OLZOCXBDSA-N 3 1 238.379 -0.567 20 0 BBADMP C[N@H+](CCN1CC[NH2+]CC1)C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663496347 411676917 /nfs/dbraw/zinc/67/69/17/411676917.db2.gz USSLROJVKSAPQF-OLZOCXBDSA-N 3 1 238.379 -0.567 20 0 BBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@]12C[C@H]1C[NH2+]C2 ZINC000663496348 411677828 /nfs/dbraw/zinc/67/78/28/411677828.db2.gz USSLROJVKSAPQF-QWHCGFSZSA-N 3 1 238.379 -0.567 20 0 BBADMP C[N@H+](CCN1CC[NH2+]CC1)C[C@]12C[C@H]1C[NH2+]C2 ZINC000663496348 411677824 /nfs/dbraw/zinc/67/78/24/411677824.db2.gz USSLROJVKSAPQF-QWHCGFSZSA-N 3 1 238.379 -0.567 20 0 BBADMP [NH3+]CC(F)(F)CNC[C@]12C[C@H]1C[NH2+]C2 ZINC000663496769 411677813 /nfs/dbraw/zinc/67/78/13/411677813.db2.gz JHZGYUWMOPURFV-JGVFFNPUSA-N 2 1 205.252 -0.221 20 0 BBADMP [NH3+]CC(F)(F)CNC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663496770 411676569 /nfs/dbraw/zinc/67/65/69/411676569.db2.gz JHZGYUWMOPURFV-SFYZADRCSA-N 2 1 205.252 -0.221 20 0 BBADMP C([NH2+]C[C@]12C[C@H]1C[NH2+]C2)[C@@H]1CNCCO1 ZINC000663500194 411683801 /nfs/dbraw/zinc/68/38/01/411683801.db2.gz YVYOAWWFDPDLHI-GARJFASQSA-N 2 1 211.309 -0.826 20 0 BBADMP C([NH2+]C[C@@]12C[C@@H]1C[NH2+]C2)[C@@H]1CNCCO1 ZINC000663500196 411683540 /nfs/dbraw/zinc/68/35/40/411683540.db2.gz YVYOAWWFDPDLHI-VWYCJHECSA-N 2 1 211.309 -0.826 20 0 BBADMP C(C1CC[NH2+]CC1)N1CCOC2(C[NH2+]C2)C1 ZINC000663512409 411695063 /nfs/dbraw/zinc/69/50/63/411695063.db2.gz LBXJYLMXWBOBJU-UHFFFAOYSA-N 2 1 225.336 -0.340 20 0 BBADMP C(C1CC[NH2+]CC1)[N@H+]1CCOC2(CNC2)C1 ZINC000663512409 411695061 /nfs/dbraw/zinc/69/50/61/411695061.db2.gz LBXJYLMXWBOBJU-UHFFFAOYSA-N 2 1 225.336 -0.340 20 0 BBADMP CC1(C)NC(=O)CC[C@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000665241524 412184592 /nfs/dbraw/zinc/18/45/92/412184592.db2.gz PKEOKOZGHKNIMC-DTWKUNHWSA-N 2 1 211.309 -0.005 20 0 BBADMP CC1(C)NC(=O)CC[C@@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000665241525 412184541 /nfs/dbraw/zinc/18/45/41/412184541.db2.gz PKEOKOZGHKNIMC-IUCAKERBSA-N 2 1 211.309 -0.005 20 0 BBADMP C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)[C@H]1CCC[NH2+]1 ZINC000665272478 412213337 /nfs/dbraw/zinc/21/33/37/412213337.db2.gz GCPLFRKMOAKSGC-KXUCPTDWSA-N 2 1 211.309 -0.005 20 0 BBADMP C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)[C@@H]1CCC[NH2+]1 ZINC000665272479 412213254 /nfs/dbraw/zinc/21/32/54/412213254.db2.gz GCPLFRKMOAKSGC-UTLUCORTSA-N 2 1 211.309 -0.005 20 0 BBADMP C[NH2+]C[C@@H](C)[NH2+][C@H](CCC[NH3+])COC ZINC000665298396 487694000 /nfs/dbraw/zinc/69/40/00/487694000.db2.gz VOJKHZAEVLSPRQ-NXEZZACHSA-N 3 1 203.330 -0.062 20 0 BBADMP CNC[C@@H](C)[NH2+][C@H](CCC[NH3+])COC ZINC000665298396 487693997 /nfs/dbraw/zinc/69/39/97/487693997.db2.gz VOJKHZAEVLSPRQ-NXEZZACHSA-N 2 1 203.330 -0.062 20 0 BBADMP C[NH2+]C[C@H](C)[NH2+][C@@H](CCC[NH3+])COC ZINC000665298397 487694263 /nfs/dbraw/zinc/69/42/63/487694263.db2.gz VOJKHZAEVLSPRQ-UWVGGRQHSA-N 3 1 203.330 -0.062 20 0 BBADMP CNC[C@H](C)[NH2+][C@@H](CCC[NH3+])COC ZINC000665298397 487694258 /nfs/dbraw/zinc/69/42/58/487694258.db2.gz VOJKHZAEVLSPRQ-UWVGGRQHSA-N 2 1 203.330 -0.062 20 0 BBADMP C[NH2+]C[C@H](C)[NH2+][C@H](CCC[NH3+])COC ZINC000665298398 487694435 /nfs/dbraw/zinc/69/44/35/487694435.db2.gz VOJKHZAEVLSPRQ-VHSXEESVSA-N 3 1 203.330 -0.062 20 0 BBADMP CNC[C@H](C)[NH2+][C@H](CCC[NH3+])COC ZINC000665298398 487694429 /nfs/dbraw/zinc/69/44/29/487694429.db2.gz VOJKHZAEVLSPRQ-VHSXEESVSA-N 2 1 203.330 -0.062 20 0 BBADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](CCC[NH3+])COC ZINC000665298399 487694193 /nfs/dbraw/zinc/69/41/93/487694193.db2.gz VOJKHZAEVLSPRQ-ZJUUUORDSA-N 3 1 203.330 -0.062 20 0 BBADMP CNC[C@@H](C)[NH2+][C@@H](CCC[NH3+])COC ZINC000665298399 487694187 /nfs/dbraw/zinc/69/41/87/487694187.db2.gz VOJKHZAEVLSPRQ-ZJUUUORDSA-N 2 1 203.330 -0.062 20 0 BBADMP Cc1ncc(C[N@@H+](CCO)CCCO)n1C ZINC000667619264 488060888 /nfs/dbraw/zinc/06/08/88/488060888.db2.gz XYXPRTSUTRRPQU-UHFFFAOYSA-N 2 1 227.308 -0.095 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)C1([NH+](C)C)CC1 ZINC000667994888 488179502 /nfs/dbraw/zinc/17/95/02/488179502.db2.gz RUUFPRNKYSTQDH-UHFFFAOYSA-N 2 1 243.351 -0.225 20 0 BBADMP C[N@H+]1CCC[C@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000669403169 487705246 /nfs/dbraw/zinc/70/52/46/487705246.db2.gz NAOSVMAGRFJADX-UKKRHICBSA-N 2 1 238.335 -0.402 20 0 BBADMP C[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000669403170 487705554 /nfs/dbraw/zinc/70/55/54/487705554.db2.gz NAOSVMAGRFJADX-ZNSHCXBVSA-N 2 1 238.335 -0.402 20 0 BBADMP CC[NH2+]CCNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000669403171 487705497 /nfs/dbraw/zinc/70/54/97/487705497.db2.gz NAOZQXGHUAWLMB-JTQLQIEISA-N 2 1 228.340 -0.011 20 0 BBADMP CC[NH2+]CCNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000669403172 487706056 /nfs/dbraw/zinc/70/60/56/487706056.db2.gz NAOZQXGHUAWLMB-SNVBAGLBSA-N 2 1 228.340 -0.011 20 0 BBADMP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000669403319 487707458 /nfs/dbraw/zinc/70/74/58/487707458.db2.gz USERXWHXXGMRJH-NXEZZACHSA-N 2 1 228.340 -0.025 20 0 BBADMP C[C@@H](C[NH3+])CNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000669403320 487707471 /nfs/dbraw/zinc/70/74/71/487707471.db2.gz USERXWHXXGMRJH-UWVGGRQHSA-N 2 1 228.340 -0.025 20 0 BBADMP C[C@@H](C[NH3+])CNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000669403321 487707431 /nfs/dbraw/zinc/70/74/31/487707431.db2.gz USERXWHXXGMRJH-VHSXEESVSA-N 2 1 228.340 -0.025 20 0 BBADMP C[C@H](C[NH3+])CNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000669403322 487707130 /nfs/dbraw/zinc/70/71/30/487707130.db2.gz USERXWHXXGMRJH-ZJUUUORDSA-N 2 1 228.340 -0.025 20 0 BBADMP C[NH2+]CCCNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000669403399 487707384 /nfs/dbraw/zinc/70/73/84/487707384.db2.gz YTOJAAPMACZBBA-JTQLQIEISA-N 2 1 228.340 -0.011 20 0 BBADMP C[NH2+]CCCNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000669403400 487707463 /nfs/dbraw/zinc/70/74/63/487707463.db2.gz YTOJAAPMACZBBA-SNVBAGLBSA-N 2 1 228.340 -0.011 20 0 BBADMP C[C@@H]([NH3+])CNC(=O)NCC[NH+]1CCSCC1 ZINC000669478076 487968844 /nfs/dbraw/zinc/96/88/44/487968844.db2.gz NRPXCGYWPWGQKW-SECBINFHSA-N 2 1 246.380 -0.318 20 0 BBADMP C[C@H]([NH3+])CNC(=O)NCC[NH+]1CCSCC1 ZINC000669478077 487968940 /nfs/dbraw/zinc/96/89/40/487968940.db2.gz NRPXCGYWPWGQKW-VIFPVBQESA-N 2 1 246.380 -0.318 20 0 BBADMP C[NH2+]CCNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000669491160 488052424 /nfs/dbraw/zinc/05/24/24/488052424.db2.gz NQIXWWGIVRKGGA-LLVKDONJSA-N 2 1 240.351 -0.011 20 0 BBADMP C[NH2+]CCNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000669491161 488052258 /nfs/dbraw/zinc/05/22/58/488052258.db2.gz NQIXWWGIVRKGGA-NSHDSACASA-N 2 1 240.351 -0.011 20 0 BBADMP COCCC[N@@H+](C)CCNC(=O)NC[C@H](C)[NH3+] ZINC000669498421 488074567 /nfs/dbraw/zinc/07/45/67/488074567.db2.gz UOIAOONQZVCJRL-JTQLQIEISA-N 2 1 246.355 -0.399 20 0 BBADMP COCCC[N@@H+](C)CCNC(=O)NC[C@@H](C)[NH3+] ZINC000669498422 488074559 /nfs/dbraw/zinc/07/45/59/488074559.db2.gz UOIAOONQZVCJRL-SNVBAGLBSA-N 2 1 246.355 -0.399 20 0 BBADMP C[C@@H]1CN(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000669688591 487652815 /nfs/dbraw/zinc/65/28/15/487652815.db2.gz PSZSTTCBTUJXLO-AGIUHOORSA-N 2 1 239.363 -0.142 20 0 BBADMP C[C@@H]1CN(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CCO1 ZINC000669688592 487652790 /nfs/dbraw/zinc/65/27/90/487652790.db2.gz PSZSTTCBTUJXLO-JHJVBQTASA-N 2 1 239.363 -0.142 20 0 BBADMP C[NH+](C)C1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000670402086 488144055 /nfs/dbraw/zinc/14/40/55/488144055.db2.gz KNXGRQGVDFZGJP-ILDUYXDCSA-N 2 1 241.335 -0.474 20 0 BBADMP C[NH+](C)C1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000670402086 488144050 /nfs/dbraw/zinc/14/40/50/488144050.db2.gz KNXGRQGVDFZGJP-ILDUYXDCSA-N 2 1 241.335 -0.474 20 0 BBADMP C[NH+](C)C1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000670402087 488144173 /nfs/dbraw/zinc/14/41/73/488144173.db2.gz KNXGRQGVDFZGJP-VQXHTEKXSA-N 2 1 241.335 -0.474 20 0 BBADMP C[NH+](C)C1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000670402087 488144168 /nfs/dbraw/zinc/14/41/68/488144168.db2.gz KNXGRQGVDFZGJP-VQXHTEKXSA-N 2 1 241.335 -0.474 20 0 BBADMP C[C@@H](C[NH+](C)C)NC(=O)CN1CC[NH+](C)CC1 ZINC000672516562 488257514 /nfs/dbraw/zinc/25/75/14/488257514.db2.gz MWYBQQUYXHACFR-NSHDSACASA-N 2 1 242.367 -0.700 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)N[C@H](CO)C[NH+](C)C ZINC000673519784 488292920 /nfs/dbraw/zinc/29/29/20/488292920.db2.gz BGYRNBMMVOVTCI-JTQLQIEISA-N 2 1 231.340 -0.635 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000673519787 488292908 /nfs/dbraw/zinc/29/29/08/488292908.db2.gz BGYRNBMMVOVTCI-SNVBAGLBSA-N 2 1 231.340 -0.635 20 0 BBADMP CC[N@@H+](CC(=O)N[C@H](CO)C[NH+](C)C)C1CC1 ZINC000673521885 488292960 /nfs/dbraw/zinc/29/29/60/488292960.db2.gz RFPFYMCGTVLKIR-JTQLQIEISA-N 2 1 243.351 -0.491 20 0 BBADMP CC[N@@H+](CC(=O)N[C@@H](CO)C[NH+](C)C)C1CC1 ZINC000673521896 488292986 /nfs/dbraw/zinc/29/29/86/488292986.db2.gz RFPFYMCGTVLKIR-SNVBAGLBSA-N 2 1 243.351 -0.491 20 0 BBADMP CN(CC[NH+](C)C)C(=O)CN1CC[NH+](C)CC1 ZINC000673943677 487487436 /nfs/dbraw/zinc/48/74/36/487487436.db2.gz FHPXVFYZQBJYTD-UHFFFAOYSA-N 2 1 242.367 -0.746 20 0 BBADMP C[C@@H](C(=O)NCCC[NH+]1CCOCC1)[NH+](C)C ZINC000674244097 487531811 /nfs/dbraw/zinc/53/18/11/487531811.db2.gz CUQLPHAJBJCDIA-NSHDSACASA-N 2 1 243.351 -0.225 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)[C@H](C)[NH+](C)C ZINC000674246248 487535837 /nfs/dbraw/zinc/53/58/37/487535837.db2.gz HLGPXCVOUFABCB-JTQLQIEISA-N 2 1 231.340 -0.369 20 0 BBADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+](C)C)C1 ZINC000674287619 487543987 /nfs/dbraw/zinc/54/39/87/487543987.db2.gz KJIIAPCTTUSYRE-QWRGUYRKSA-N 2 1 243.351 -0.227 20 0 BBADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+](C)C)C1 ZINC000674287620 487544572 /nfs/dbraw/zinc/54/45/72/487544572.db2.gz KJIIAPCTTUSYRE-WDEREUQCSA-N 2 1 243.351 -0.227 20 0 BBADMP COC1CC[NH+](CCNC(=O)C[NH+](C)C)CC1 ZINC000674325924 487560493 /nfs/dbraw/zinc/56/04/93/487560493.db2.gz QTJWSBDEKYXMTR-UHFFFAOYSA-N 2 1 243.351 -0.225 20 0 BBADMP C[C@@H](CC[NH+]1CC[C@H](O)C1)[N@H+]1CC[C@H](O)C1 ZINC000676251700 487829375 /nfs/dbraw/zinc/82/93/75/487829375.db2.gz CVXVPHAEPDCTJL-SRVKXCTJSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@@H](CC[NH+]1CC[C@H](O)C1)[N@@H+]1CC[C@H](O)C1 ZINC000676251700 487829369 /nfs/dbraw/zinc/82/93/69/487829369.db2.gz CVXVPHAEPDCTJL-SRVKXCTJSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@@H](CC[N@H+]1CC[C@H](O)C1)[NH+]1CC[C@H](O)C1 ZINC000676251700 487829360 /nfs/dbraw/zinc/82/93/60/487829360.db2.gz CVXVPHAEPDCTJL-SRVKXCTJSA-N 2 1 228.336 -0.102 20 0 BBADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000677984853 488168779 /nfs/dbraw/zinc/16/87/79/488168779.db2.gz RYQYBXGYXYBGBV-PHIMTYICSA-N 2 1 225.292 -0.381 20 0 BBADMP Cc1[nH+]ccn1CC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000677984853 488168777 /nfs/dbraw/zinc/16/87/77/488168777.db2.gz RYQYBXGYXYBGBV-PHIMTYICSA-N 2 1 225.292 -0.381 20 0 BBADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000678078759 488192804 /nfs/dbraw/zinc/19/28/04/488192804.db2.gz HZJOHXFXELLLNK-SDDRHHMPSA-N 2 1 228.336 -0.102 20 0 BBADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000678078759 488192800 /nfs/dbraw/zinc/19/28/00/488192800.db2.gz HZJOHXFXELLLNK-SDDRHHMPSA-N 2 1 228.336 -0.102 20 0 BBADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@H](O)C[C@H](O)C1 ZINC000678078759 488192798 /nfs/dbraw/zinc/19/27/98/488192798.db2.gz HZJOHXFXELLLNK-SDDRHHMPSA-N 2 1 228.336 -0.102 20 0 BBADMP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@H](O)C[C@H](O)C1 ZINC000678078759 488192795 /nfs/dbraw/zinc/19/27/95/488192795.db2.gz HZJOHXFXELLLNK-SDDRHHMPSA-N 2 1 228.336 -0.102 20 0 BBADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000678078761 488193251 /nfs/dbraw/zinc/19/32/51/488193251.db2.gz HZJOHXFXELLLNK-UTUOFQBUSA-N 2 1 228.336 -0.102 20 0 BBADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000678078761 488193247 /nfs/dbraw/zinc/19/32/47/488193247.db2.gz HZJOHXFXELLLNK-UTUOFQBUSA-N 2 1 228.336 -0.102 20 0 BBADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H](O)C[C@H](O)C1 ZINC000678078761 488193245 /nfs/dbraw/zinc/19/32/45/488193245.db2.gz HZJOHXFXELLLNK-UTUOFQBUSA-N 2 1 228.336 -0.102 20 0 BBADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H](O)C[C@H](O)C1 ZINC000678078761 488193241 /nfs/dbraw/zinc/19/32/41/488193241.db2.gz HZJOHXFXELLLNK-UTUOFQBUSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@@H]1C[C@H]([NH2+]CCc2nnnn2C)CC[N@H+]1C ZINC000678548175 488265919 /nfs/dbraw/zinc/26/59/19/488265919.db2.gz KDEPNYWNELYEIE-NXEZZACHSA-N 2 1 238.339 -0.175 20 0 BBADMP C[C@H]1C[C@@H]([NH2+]CCc2nnnn2C)CC[N@H+]1C ZINC000678548176 488265904 /nfs/dbraw/zinc/26/59/04/488265904.db2.gz KDEPNYWNELYEIE-UWVGGRQHSA-N 2 1 238.339 -0.175 20 0 BBADMP C[C@H]1C[C@H]([NH2+]CCc2nnnn2C)CC[N@H+]1C ZINC000678548177 488266258 /nfs/dbraw/zinc/26/62/58/488266258.db2.gz KDEPNYWNELYEIE-VHSXEESVSA-N 2 1 238.339 -0.175 20 0 BBADMP C[C@@H]1C[C@@H]([NH2+]CCc2nnnn2C)CC[N@H+]1C ZINC000678548178 488266330 /nfs/dbraw/zinc/26/63/30/488266330.db2.gz KDEPNYWNELYEIE-ZJUUUORDSA-N 2 1 238.339 -0.175 20 0 BBADMP O[C@@H]1C[C@H](O)C[N@H+](CCCn2ccnc2)C1 ZINC000678884364 488293120 /nfs/dbraw/zinc/29/31/20/488293120.db2.gz GWMYMTDDGFTBGD-PHIMTYICSA-N 2 1 225.292 -0.299 20 0 BBADMP CC[N@@H+](CCO)CCNC(=O)[C@H](C)[NH+](C)C ZINC000681122338 487733775 /nfs/dbraw/zinc/73/37/75/487733775.db2.gz DGKJHYWVDMQQJR-JTQLQIEISA-N 2 1 231.340 -0.633 20 0 BBADMP C[C@@H](C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)[NH+](C)C ZINC000683879968 488235260 /nfs/dbraw/zinc/23/52/60/488235260.db2.gz AMWQGKOITQHBRY-GARJFASQSA-N 2 1 225.336 -0.044 20 0 BBADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@](C)(O)CO ZINC000684536503 487937214 /nfs/dbraw/zinc/93/72/14/487937214.db2.gz IJZBXQUAAJPSHG-GFCCVEGCSA-N 2 1 239.319 -0.020 20 0 BBADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@](C)(O)CO ZINC000684536504 487937146 /nfs/dbraw/zinc/93/71/46/487937146.db2.gz IJZBXQUAAJPSHG-LBPRGKRZSA-N 2 1 239.319 -0.020 20 0 BBADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC000702050460 712037170 /nfs/dbraw/zinc/03/71/70/712037170.db2.gz YZZAIWAAGWDYND-WDEREUQCSA-N 2 1 221.308 -0.181 20 0 BBADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCn1cncn1)C2 ZINC000702050460 712037168 /nfs/dbraw/zinc/03/71/68/712037168.db2.gz YZZAIWAAGWDYND-WDEREUQCSA-N 2 1 221.308 -0.181 20 0 BBADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCN1CCOCC1)C2 ZINC000702097543 712038583 /nfs/dbraw/zinc/03/85/83/712038583.db2.gz OQYMALSQJBLAOU-QWHCGFSZSA-N 2 1 239.363 -0.140 20 0 BBADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCN1CCOCC1)C2 ZINC000702097543 712038582 /nfs/dbraw/zinc/03/85/82/712038582.db2.gz OQYMALSQJBLAOU-QWHCGFSZSA-N 2 1 239.363 -0.140 20 0 BBADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)CO)C[C@]2(C)C1 ZINC000702278685 712044688 /nfs/dbraw/zinc/04/46/88/712044688.db2.gz ZKWCIPATPJIGRS-MXWKQRLJSA-N 2 1 214.309 -0.777 20 0 BBADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)CO)C[C@]2(C)C1 ZINC000702278685 712044686 /nfs/dbraw/zinc/04/46/86/712044686.db2.gz ZKWCIPATPJIGRS-MXWKQRLJSA-N 2 1 214.309 -0.777 20 0 BBADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)CO)C[C@]2(C)C1 ZINC000702278685 712044685 /nfs/dbraw/zinc/04/46/85/712044685.db2.gz ZKWCIPATPJIGRS-MXWKQRLJSA-N 2 1 214.309 -0.777 20 0 BBADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)CO)C[C@]2(C)C1 ZINC000702278685 712044683 /nfs/dbraw/zinc/04/46/83/712044683.db2.gz ZKWCIPATPJIGRS-MXWKQRLJSA-N 2 1 214.309 -0.777 20 0 BBADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)CO)C[C@]2(C)C1 ZINC000702278690 712045088 /nfs/dbraw/zinc/04/50/88/712045088.db2.gz ZKWCIPATPJIGRS-VWYCJHECSA-N 2 1 214.309 -0.777 20 0 BBADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H](O)CO)C[C@]2(C)C1 ZINC000702278690 712045087 /nfs/dbraw/zinc/04/50/87/712045087.db2.gz ZKWCIPATPJIGRS-VWYCJHECSA-N 2 1 214.309 -0.777 20 0 BBADMP C[N@H+]1C[C@@H]2C[NH+](C[C@H](O)CO)C[C@]2(C)C1 ZINC000702278690 712045086 /nfs/dbraw/zinc/04/50/86/712045086.db2.gz ZKWCIPATPJIGRS-VWYCJHECSA-N 2 1 214.309 -0.777 20 0 BBADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)CO)C[C@]2(C)C1 ZINC000702278690 712045084 /nfs/dbraw/zinc/04/50/84/712045084.db2.gz ZKWCIPATPJIGRS-VWYCJHECSA-N 2 1 214.309 -0.777 20 0 BBADMP C[NH+]1C[C@@H]2C[N@@H+](CCOCCO)C[C@]2(C)C1 ZINC000702286910 712044752 /nfs/dbraw/zinc/04/47/52/712044752.db2.gz AATIPFIYPNPMCF-NEPJUHHUSA-N 2 1 228.336 -0.121 20 0 BBADMP C[NH+]1C[C@@H]2C[N@H+](CCOCCO)C[C@]2(C)C1 ZINC000702286910 712044751 /nfs/dbraw/zinc/04/47/51/712044751.db2.gz AATIPFIYPNPMCF-NEPJUHHUSA-N 2 1 228.336 -0.121 20 0 BBADMP C[N@H+]1C[C@@H]2C[NH+](CCOCCO)C[C@]2(C)C1 ZINC000702286910 712044750 /nfs/dbraw/zinc/04/47/50/712044750.db2.gz AATIPFIYPNPMCF-NEPJUHHUSA-N 2 1 228.336 -0.121 20 0 BBADMP C[N@@H+]1C[C@@H]2C[NH+](CCOCCO)C[C@]2(C)C1 ZINC000702286910 712044748 /nfs/dbraw/zinc/04/47/48/712044748.db2.gz AATIPFIYPNPMCF-NEPJUHHUSA-N 2 1 228.336 -0.121 20 0 BBADMP COC[C@H](O)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702287107 712045324 /nfs/dbraw/zinc/04/53/24/712045324.db2.gz FXYJRFGNCFSDOG-QJPTWQEYSA-N 2 1 228.336 -0.123 20 0 BBADMP COC[C@H](O)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702287107 712045321 /nfs/dbraw/zinc/04/53/21/712045321.db2.gz FXYJRFGNCFSDOG-QJPTWQEYSA-N 2 1 228.336 -0.123 20 0 BBADMP COC[C@H](O)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702287107 712045319 /nfs/dbraw/zinc/04/53/19/712045319.db2.gz FXYJRFGNCFSDOG-QJPTWQEYSA-N 2 1 228.336 -0.123 20 0 BBADMP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000702324806 712047216 /nfs/dbraw/zinc/04/72/16/712047216.db2.gz UXZWFEUZYWKZGQ-KOLCDFICSA-N 2 1 240.351 -0.772 20 0 BBADMP C[NH+](C)C[C@H](N)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000702324813 712047139 /nfs/dbraw/zinc/04/71/39/712047139.db2.gz UXZWFEUZYWKZGQ-ONGXEEELSA-N 2 1 240.351 -0.772 20 0 BBADMP CN1C[C@@H]2C[N@@H+](CCOCC[NH3+])C[C@]2(C)C1 ZINC000702334037 712047852 /nfs/dbraw/zinc/04/78/52/712047852.db2.gz PJDLNLPOCQEXIS-NEPJUHHUSA-N 2 1 227.352 -0.155 20 0 BBADMP CN1C[C@@H]2C[N@H+](CCOCC[NH3+])C[C@]2(C)C1 ZINC000702334037 712047850 /nfs/dbraw/zinc/04/78/50/712047850.db2.gz PJDLNLPOCQEXIS-NEPJUHHUSA-N 2 1 227.352 -0.155 20 0 BBADMP C[NH+]1C[C@@H]2C[N@@H+](CCOCC[NH3+])C[C@]2(C)C1 ZINC000702334037 712047849 /nfs/dbraw/zinc/04/78/49/712047849.db2.gz PJDLNLPOCQEXIS-NEPJUHHUSA-N 3 1 227.352 -0.155 20 0 BBADMP C[NH+]1C[C@@H]2C[N@H+](CCOCC[NH3+])C[C@]2(C)C1 ZINC000702334037 712047846 /nfs/dbraw/zinc/04/78/46/712047846.db2.gz PJDLNLPOCQEXIS-NEPJUHHUSA-N 3 1 227.352 -0.155 20 0 BBADMP C[N@H+]1C[C@@H]2C[NH+](CCOCC[NH3+])C[C@]2(C)C1 ZINC000702334037 712047844 /nfs/dbraw/zinc/04/78/44/712047844.db2.gz PJDLNLPOCQEXIS-NEPJUHHUSA-N 3 1 227.352 -0.155 20 0 BBADMP C[N@@H+]1C[C@@H]2C[NH+](CCOCC[NH3+])C[C@]2(C)C1 ZINC000702334037 712047843 /nfs/dbraw/zinc/04/78/43/712047843.db2.gz PJDLNLPOCQEXIS-NEPJUHHUSA-N 3 1 227.352 -0.155 20 0 BBADMP C[N@H+]1C[C@@H]2CN(CCOCC[NH3+])C[C@]2(C)C1 ZINC000702334037 712047840 /nfs/dbraw/zinc/04/78/40/712047840.db2.gz PJDLNLPOCQEXIS-NEPJUHHUSA-N 2 1 227.352 -0.155 20 0 BBADMP C[NH+](C)C[C@H](N)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000702338128 712048162 /nfs/dbraw/zinc/04/81/62/712048162.db2.gz NKGDJIVUPBQQFU-UWVGGRQHSA-N 2 1 228.340 -0.914 20 0 BBADMP C[NH+](C)C[C@H](N)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000702338137 712047924 /nfs/dbraw/zinc/04/79/24/712047924.db2.gz NKGDJIVUPBQQFU-ZJUUUORDSA-N 2 1 228.340 -0.914 20 0 BBADMP C[N@H+]1C[C@@H]2CN(C[C@@H]3C[NH2+]CCO3)C[C@]2(C)C1 ZINC000702338339 712048016 /nfs/dbraw/zinc/04/80/16/712048016.db2.gz VGDNDAAQBDFNCH-AGIUHOORSA-N 2 1 239.363 -0.142 20 0 BBADMP C[N@H+]1C[C@@H]2CN(C[C@H]3C[NH2+]CCO3)C[C@]2(C)C1 ZINC000702338347 712047613 /nfs/dbraw/zinc/04/76/13/712047613.db2.gz VGDNDAAQBDFNCH-UPJWGTAASA-N 2 1 239.363 -0.142 20 0 BBADMP C[NH+](C)C[C@H](N)C(=O)N1CCC[N@@H+](C)CC1 ZINC000702339412 712047901 /nfs/dbraw/zinc/04/79/01/712047901.db2.gz QBUHJACLIPQLBJ-JTQLQIEISA-N 2 1 228.340 -0.961 20 0 BBADMP C[NH+](C)C[C@H](N)C(=O)NCC[N@@H+](C)C1CC1 ZINC000702339496 712047625 /nfs/dbraw/zinc/04/76/25/712047625.db2.gz QYPTZFRLMLRPPW-JTQLQIEISA-N 2 1 228.340 -0.914 20 0 BBADMP C[NH+](C)C[C@H](N)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000702340546 712048096 /nfs/dbraw/zinc/04/80/96/712048096.db2.gz WPYGNBIUHWTQAB-UWVGGRQHSA-N 2 1 228.340 -0.914 20 0 BBADMP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000702340549 712047519 /nfs/dbraw/zinc/04/75/19/712047519.db2.gz WPYGNBIUHWTQAB-ZJUUUORDSA-N 2 1 228.340 -0.914 20 0 BBADMP C[NH+](C)C[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000702342348 712045938 /nfs/dbraw/zinc/04/59/38/712045938.db2.gz LHGCYJOYYDPJLP-MNOVXSKESA-N 2 1 242.367 -0.667 20 0 BBADMP C[NH+](C)C[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000702342350 712045586 /nfs/dbraw/zinc/04/55/86/712045586.db2.gz LHGCYJOYYDPJLP-QWRGUYRKSA-N 2 1 242.367 -0.667 20 0 BBADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000702342901 712046055 /nfs/dbraw/zinc/04/60/55/712046055.db2.gz QIMGQMPSOWOLDN-MNOVXSKESA-N 2 1 242.367 -0.667 20 0 BBADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000702342903 712045988 /nfs/dbraw/zinc/04/59/88/712045988.db2.gz QIMGQMPSOWOLDN-QWRGUYRKSA-N 2 1 242.367 -0.667 20 0 BBADMP C[C@@H]1C[C@H](NC(=O)[C@@H](N)C[NH+](C)C)CC[N@H+]1C ZINC000702351018 712046307 /nfs/dbraw/zinc/04/63/07/712046307.db2.gz TZEVTVXZGFEHGX-MXWKQRLJSA-N 2 1 242.367 -0.526 20 0 BBADMP C[C@@H]1C[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)CC[N@H+]1C ZINC000702351022 712046270 /nfs/dbraw/zinc/04/62/70/712046270.db2.gz TZEVTVXZGFEHGX-VWYCJHECSA-N 2 1 242.367 -0.526 20 0 BBADMP Cc1[nH+]ccn1CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000702384638 712049607 /nfs/dbraw/zinc/04/96/07/712049607.db2.gz KIEOJPYPPSMVEA-JTQLQIEISA-N 2 1 239.323 -0.803 20 0 BBADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000702388204 712049943 /nfs/dbraw/zinc/04/99/43/712049943.db2.gz QXQUEIBNTFBYBU-JTQLQIEISA-N 2 1 230.356 -0.668 20 0 BBADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000702392680 712050168 /nfs/dbraw/zinc/05/01/68/712050168.db2.gz WHHBLUROXGRNRJ-MNOVXSKESA-N 2 1 242.367 -0.524 20 0 BBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000702392681 712049866 /nfs/dbraw/zinc/04/98/66/712049866.db2.gz WHHBLUROXGRNRJ-QWRGUYRKSA-N 2 1 242.367 -0.524 20 0 BBADMP C[C@H](CNC(=O)[C@@H](N)C[NH+](C)C)[N@@H+](C)C1CC1 ZINC000702416851 712051340 /nfs/dbraw/zinc/05/13/40/712051340.db2.gz JPMWZYVNJLXFSM-KOLCDFICSA-N 2 1 242.367 -0.526 20 0 BBADMP C[C@@H](CNC(=O)[C@@H](N)C[NH+](C)C)[N@@H+](C)C1CC1 ZINC000702416853 712051329 /nfs/dbraw/zinc/05/13/29/712051329.db2.gz JPMWZYVNJLXFSM-ONGXEEELSA-N 2 1 242.367 -0.526 20 0 BBADMP CC[N@@H+](CCNC(=O)[C@@H](N)C[NH+](C)C)C1CC1 ZINC000702416900 712051828 /nfs/dbraw/zinc/05/18/28/712051828.db2.gz KSVJSOFBPKBPOG-NSHDSACASA-N 2 1 242.367 -0.524 20 0 BBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](N)C[NH+](C)C ZINC000702417266 712051321 /nfs/dbraw/zinc/05/13/21/712051321.db2.gz NTVAXJWUTQBZGT-MNOVXSKESA-N 2 1 242.367 -0.524 20 0 BBADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](N)C[NH+](C)C ZINC000702417267 712051926 /nfs/dbraw/zinc/05/19/26/712051926.db2.gz NTVAXJWUTQBZGT-QWRGUYRKSA-N 2 1 242.367 -0.524 20 0 BBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000702429471 712052228 /nfs/dbraw/zinc/05/22/28/712052228.db2.gz KBDHJTDNWIITRJ-MNOVXSKESA-N 2 1 244.383 -0.278 20 0 BBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000702429472 712052483 /nfs/dbraw/zinc/05/24/83/712052483.db2.gz KBDHJTDNWIITRJ-QWRGUYRKSA-N 2 1 244.383 -0.278 20 0 BBADMP C[N@H+]1CC[C@@](O)(C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000702562255 712055176 /nfs/dbraw/zinc/05/51/76/712055176.db2.gz LTNUBTVIYUWZSI-CYBMUJFWSA-N 3 1 241.379 -0.016 20 0 BBADMP C[N@@H+]1CC[C@@](O)(C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000702562255 712055175 /nfs/dbraw/zinc/05/51/75/712055175.db2.gz LTNUBTVIYUWZSI-CYBMUJFWSA-N 3 1 241.379 -0.016 20 0 BBADMP C[N@H+]1CC[C@](O)(C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000702562256 712055796 /nfs/dbraw/zinc/05/57/96/712055796.db2.gz LTNUBTVIYUWZSI-ZDUSSCGKSA-N 3 1 241.379 -0.016 20 0 BBADMP C[N@@H+]1CC[C@](O)(C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000702562256 712055795 /nfs/dbraw/zinc/05/57/95/712055795.db2.gz LTNUBTVIYUWZSI-ZDUSSCGKSA-N 3 1 241.379 -0.016 20 0 BBADMP CCCNC(=[NH2+])NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000702589162 712055780 /nfs/dbraw/zinc/05/57/80/712055780.db2.gz ABWYDUANVAXONH-JTQLQIEISA-N 2 1 214.313 -0.423 20 0 BBADMP CCCNC(=[NH2+])NC[C@]1(O)CC[N@@H+](C)C1 ZINC000702589163 712055905 /nfs/dbraw/zinc/05/59/05/712055905.db2.gz ABWYDUANVAXONH-SNVBAGLBSA-N 2 1 214.313 -0.423 20 0 BBADMP CCNC(=[NH2+])NC[C@]1(O)CC[N@@H+](C)C1 ZINC000702589164 712055586 /nfs/dbraw/zinc/05/55/86/712055586.db2.gz ACBWBIWOWHZPMX-SECBINFHSA-N 2 1 200.286 -0.813 20 0 BBADMP CCNC(=[NH2+])NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000702589165 712055821 /nfs/dbraw/zinc/05/58/21/712055821.db2.gz ACBWBIWOWHZPMX-VIFPVBQESA-N 2 1 200.286 -0.813 20 0 BBADMP CN1CCC[NH+]=C1NC[C@]1(O)CC[N@@H+](C)C1 ZINC000702589950 712055672 /nfs/dbraw/zinc/05/56/72/712055672.db2.gz GAKBIHJWPAPTES-LLVKDONJSA-N 2 1 226.324 -0.666 20 0 BBADMP CN1CCC[NH+]=C1NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000702589951 712055738 /nfs/dbraw/zinc/05/57/38/712055738.db2.gz GAKBIHJWPAPTES-NSHDSACASA-N 2 1 226.324 -0.666 20 0 BBADMP CC(C)CNC(=[NH2+])NC[C@]1(O)CC[N@@H+](C)C1 ZINC000702592709 712056399 /nfs/dbraw/zinc/05/63/99/712056399.db2.gz ZCSDZNBPNFYFQJ-LLVKDONJSA-N 2 1 228.340 -0.177 20 0 BBADMP CC(C)CNC(=[NH2+])NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000702592711 712056517 /nfs/dbraw/zinc/05/65/17/712056517.db2.gz ZCSDZNBPNFYFQJ-NSHDSACASA-N 2 1 228.340 -0.177 20 0 BBADMP CON1CCC([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000702599884 712056253 /nfs/dbraw/zinc/05/62/53/712056253.db2.gz NZLWPQMXMRRKHJ-GFCCVEGCSA-N 2 1 243.351 -0.332 20 0 BBADMP CON1CCC([NH2+]C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000702599884 712056250 /nfs/dbraw/zinc/05/62/50/712056250.db2.gz NZLWPQMXMRRKHJ-GFCCVEGCSA-N 2 1 243.351 -0.332 20 0 BBADMP CON1CCC([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000702599891 712056584 /nfs/dbraw/zinc/05/65/84/712056584.db2.gz NZLWPQMXMRRKHJ-LBPRGKRZSA-N 2 1 243.351 -0.332 20 0 BBADMP CON1CCC([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000702599891 712056583 /nfs/dbraw/zinc/05/65/83/712056583.db2.gz NZLWPQMXMRRKHJ-LBPRGKRZSA-N 2 1 243.351 -0.332 20 0 BBADMP COC[C@@H](O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000702607750 712056570 /nfs/dbraw/zinc/05/65/70/712056570.db2.gz GPBRXKILWXXMSV-SDDRHHMPSA-N 2 1 228.336 -0.075 20 0 BBADMP COC[C@H](O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000702607751 712056172 /nfs/dbraw/zinc/05/61/72/712056172.db2.gz GPBRXKILWXXMSV-UTUOFQBUSA-N 2 1 228.336 -0.075 20 0 BBADMP C[C@@H]1[NH2+]CCC[C@H]1NC[C@]1(O)CC[N@@H+](C)C1 ZINC000702616050 712057032 /nfs/dbraw/zinc/05/70/32/712057032.db2.gz URPJFQSTSFDXOC-QJPTWQEYSA-N 2 1 227.352 -0.217 20 0 BBADMP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@]1(O)CC[N@@H+](C)C1 ZINC000702616051 712057042 /nfs/dbraw/zinc/05/70/42/712057042.db2.gz URPJFQSTSFDXOC-SDDRHHMPSA-N 2 1 227.352 -0.217 20 0 BBADMP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000702616052 712057034 /nfs/dbraw/zinc/05/70/34/712057034.db2.gz URPJFQSTSFDXOC-SRVKXCTJSA-N 2 1 227.352 -0.217 20 0 BBADMP C[C@@H]1[NH2+]CCC[C@H]1NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000702616054 712057091 /nfs/dbraw/zinc/05/70/91/712057091.db2.gz URPJFQSTSFDXOC-TUAOUCFPSA-N 2 1 227.352 -0.217 20 0 BBADMP C[C@@H]1COC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000702628399 712056961 /nfs/dbraw/zinc/05/69/61/712056961.db2.gz KRDKXEDOWODBLC-GMTAPVOTSA-N 2 1 214.309 -0.323 20 0 BBADMP C[C@@H]1COC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000702628399 712056960 /nfs/dbraw/zinc/05/69/60/712056960.db2.gz KRDKXEDOWODBLC-GMTAPVOTSA-N 2 1 214.309 -0.323 20 0 BBADMP C[C@@H]1COC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000702628400 712057007 /nfs/dbraw/zinc/05/70/07/712057007.db2.gz KRDKXEDOWODBLC-MXWKQRLJSA-N 2 1 214.309 -0.323 20 0 BBADMP C[C@@H]1COC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000702628400 712057006 /nfs/dbraw/zinc/05/70/06/712057006.db2.gz KRDKXEDOWODBLC-MXWKQRLJSA-N 2 1 214.309 -0.323 20 0 BBADMP C[C@@H]1COC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000702628401 712057497 /nfs/dbraw/zinc/05/74/97/712057497.db2.gz KRDKXEDOWODBLC-OUAUKWLOSA-N 2 1 214.309 -0.323 20 0 BBADMP C[C@@H]1COC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000702628401 712057495 /nfs/dbraw/zinc/05/74/95/712057495.db2.gz KRDKXEDOWODBLC-OUAUKWLOSA-N 2 1 214.309 -0.323 20 0 BBADMP C[C@@H]1COC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000702628402 712057212 /nfs/dbraw/zinc/05/72/12/712057212.db2.gz KRDKXEDOWODBLC-VWYCJHECSA-N 2 1 214.309 -0.323 20 0 BBADMP C[C@@H]1COC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000702628402 712057209 /nfs/dbraw/zinc/05/72/09/712057209.db2.gz KRDKXEDOWODBLC-VWYCJHECSA-N 2 1 214.309 -0.323 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H]([NH3+])C[C@@H]1C ZINC000702679910 712059311 /nfs/dbraw/zinc/05/93/11/712059311.db2.gz ZSUDTSUFXVMCFG-SRVKXCTJSA-N 2 1 245.367 -0.653 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@H]([NH3+])C[C@@H]1C ZINC000702679911 712059461 /nfs/dbraw/zinc/05/94/61/712059461.db2.gz ZSUDTSUFXVMCFG-TUAOUCFPSA-N 2 1 245.367 -0.653 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@H]([NH3+])C[C@H]1C ZINC000702679912 712059423 /nfs/dbraw/zinc/05/94/23/712059423.db2.gz ZSUDTSUFXVMCFG-UTUOFQBUSA-N 2 1 245.367 -0.653 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H]([NH3+])C[C@H]1C ZINC000702679913 712059123 /nfs/dbraw/zinc/05/91/23/712059123.db2.gz ZSUDTSUFXVMCFG-WOPDTQHZSA-N 2 1 245.367 -0.653 20 0 BBADMP CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000702992297 712063410 /nfs/dbraw/zinc/06/34/10/712063410.db2.gz HTRVCQUTVCVTTH-AEJSXWLSSA-N 2 1 247.364 -0.653 20 0 BBADMP CS(=O)(=O)N[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000702992303 712063566 /nfs/dbraw/zinc/06/35/66/712063566.db2.gz HTRVCQUTVCVTTH-KXUCPTDWSA-N 2 1 247.364 -0.653 20 0 BBADMP COC1CC(C[N@@H+](C)C[C@H](O)C[NH3+])C1 ZINC000703390381 712075029 /nfs/dbraw/zinc/07/50/29/712075029.db2.gz OZLRCJAMXWDDHE-HWOCKDDLSA-N 2 1 202.298 -0.337 20 0 BBADMP COC1CC(C[N@@H+](C)C[C@@H](O)C[NH3+])C1 ZINC000703390383 712075463 /nfs/dbraw/zinc/07/54/63/712075463.db2.gz OZLRCJAMXWDDHE-KYHHOPLUSA-N 2 1 202.298 -0.337 20 0 BBADMP [NH3+]C1CC(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000703448729 712075808 /nfs/dbraw/zinc/07/58/08/712075808.db2.gz VYSQHOHGXQYPGM-UHFFFAOYSA-N 2 1 241.335 -0.438 20 0 BBADMP CCOC[C@H](O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703539031 712078033 /nfs/dbraw/zinc/07/80/33/712078033.db2.gz URRCIIRZCYLMHY-QJPTWQEYSA-N 2 1 228.336 -0.075 20 0 BBADMP COC[C@H](O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703550917 712078427 /nfs/dbraw/zinc/07/84/27/712078427.db2.gz YVSCQDKDWGSVTL-HBNTYKKESA-N 2 1 214.309 -0.465 20 0 BBADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCC(=O)NC(N)=O)C2 ZINC000703558916 712079205 /nfs/dbraw/zinc/07/92/05/712079205.db2.gz XDUKZIDKNXVJJK-GZMMTYOYSA-N 2 1 240.307 -0.887 20 0 BBADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCN1CCOC1=O)C2 ZINC000703563247 712080359 /nfs/dbraw/zinc/08/03/59/712080359.db2.gz VLGMJQCYPURTJJ-CMPLNLGQSA-N 2 1 239.319 -0.020 20 0 BBADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCN1CCOC1=O)C2 ZINC000703563247 712080358 /nfs/dbraw/zinc/08/03/58/712080358.db2.gz VLGMJQCYPURTJJ-CMPLNLGQSA-N 2 1 239.319 -0.020 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)C1CC([NH3+])C1 ZINC000703568910 712080762 /nfs/dbraw/zinc/08/07/62/712080762.db2.gz KQOSMZUYIJFODD-RTBKNWGFSA-N 2 1 211.309 -0.066 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)C1CC([NH3+])C1 ZINC000703568911 712080655 /nfs/dbraw/zinc/08/06/55/712080655.db2.gz KQOSMZUYIJFODD-UDNWOFFPSA-N 2 1 211.309 -0.066 20 0 BBADMP CC[NH+]1CCN(C(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000705231542 712124831 /nfs/dbraw/zinc/12/48/31/712124831.db2.gz DMMLLTKGTFYJRQ-JTQLQIEISA-N 2 1 228.340 -0.961 20 0 BBADMP C[NH+]1CCC(C[N@H+]2C[C@H](CO)[C@H](CO)C2)CC1 ZINC000705335352 712129358 /nfs/dbraw/zinc/12/93/58/712129358.db2.gz XXBRKYONAXMQCY-BETUJISGSA-N 2 1 242.363 -0.139 20 0 BBADMP CCC[N@@H+](CC)CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000705367103 712130875 /nfs/dbraw/zinc/13/08/75/712130875.db2.gz GNCMXHNINOJEPU-NSHDSACASA-N 2 1 244.383 -0.277 20 0 BBADMP C[NH+]1C[C@]2(C)C[NH+](C[C@@H](O)CO)C[C@@]2(C)C1 ZINC000705664866 712135312 /nfs/dbraw/zinc/13/53/12/712135312.db2.gz CVNDXWISUDKFIN-IJLUTSLNSA-N 2 1 228.336 -0.387 20 0 BBADMP C[NH+]1C[C@]2(C)C[NH+](C[C@H](O)CO)C[C@@]2(C)C1 ZINC000705664867 712135113 /nfs/dbraw/zinc/13/51/13/712135113.db2.gz CVNDXWISUDKFIN-QJPTWQEYSA-N 2 1 228.336 -0.387 20 0 BBADMP C[NH+]1C[C@]2(C)C[N@@H+](C[C@H](O)CO)C[C@]2(C)C1 ZINC000705664869 712134817 /nfs/dbraw/zinc/13/48/17/712134817.db2.gz CVNDXWISUDKFIN-SDDRHHMPSA-N 2 1 228.336 -0.387 20 0 BBADMP C[NH+]1C[C@]2(C)C[N@H+](C[C@H](O)CO)C[C@]2(C)C1 ZINC000705664869 712134816 /nfs/dbraw/zinc/13/48/16/712134816.db2.gz CVNDXWISUDKFIN-SDDRHHMPSA-N 2 1 228.336 -0.387 20 0 BBADMP C[N@H+]1C[C@]2(C)C[NH+](C[C@H](O)CO)C[C@]2(C)C1 ZINC000705664869 712134814 /nfs/dbraw/zinc/13/48/14/712134814.db2.gz CVNDXWISUDKFIN-SDDRHHMPSA-N 2 1 228.336 -0.387 20 0 BBADMP C[N@@H+]1C[C@]2(C)C[NH+](C[C@H](O)CO)C[C@]2(C)C1 ZINC000705664869 712134813 /nfs/dbraw/zinc/13/48/13/712134813.db2.gz CVNDXWISUDKFIN-SDDRHHMPSA-N 2 1 228.336 -0.387 20 0 BBADMP C[NH+]1C[C@]2(C)C[N@@H+](C[C@@H](O)CO)C[C@]2(C)C1 ZINC000705664871 712135211 /nfs/dbraw/zinc/13/52/11/712135211.db2.gz CVNDXWISUDKFIN-UTUOFQBUSA-N 2 1 228.336 -0.387 20 0 BBADMP C[NH+]1C[C@]2(C)C[N@H+](C[C@@H](O)CO)C[C@]2(C)C1 ZINC000705664871 712135210 /nfs/dbraw/zinc/13/52/10/712135210.db2.gz CVNDXWISUDKFIN-UTUOFQBUSA-N 2 1 228.336 -0.387 20 0 BBADMP C[N@H+]1C[C@]2(C)C[NH+](C[C@@H](O)CO)C[C@]2(C)C1 ZINC000705664871 712135209 /nfs/dbraw/zinc/13/52/09/712135209.db2.gz CVNDXWISUDKFIN-UTUOFQBUSA-N 2 1 228.336 -0.387 20 0 BBADMP C[N@@H+]1C[C@]2(C)C[NH+](C[C@@H](O)CO)C[C@]2(C)C1 ZINC000705664871 712135208 /nfs/dbraw/zinc/13/52/08/712135208.db2.gz CVNDXWISUDKFIN-UTUOFQBUSA-N 2 1 228.336 -0.387 20 0 BBADMP C[N@H+]1CC[C@@](O)(CNC2=[NH+]CCCCN2)C1 ZINC000705726504 712135262 /nfs/dbraw/zinc/13/52/62/712135262.db2.gz DBDMQCBQXPAFRZ-LLVKDONJSA-N 2 1 226.324 -0.618 20 0 BBADMP C[N@H+]1CC[C@](O)(CNC2=[NH+]CCCCN2)C1 ZINC000705726505 712136082 /nfs/dbraw/zinc/13/60/82/712136082.db2.gz DBDMQCBQXPAFRZ-NSHDSACASA-N 2 1 226.324 -0.618 20 0 BBADMP CC(C)NC(=[NH2+])NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000705726529 712136056 /nfs/dbraw/zinc/13/60/56/712136056.db2.gz DHDRIWHOHUPIOC-JTQLQIEISA-N 2 1 214.313 -0.425 20 0 BBADMP CC(C)NC(=[NH2+])NC[C@]1(O)CC[N@@H+](C)C1 ZINC000705726530 712135818 /nfs/dbraw/zinc/13/58/18/712135818.db2.gz DHDRIWHOHUPIOC-SNVBAGLBSA-N 2 1 214.313 -0.425 20 0 BBADMP C[N@H+]1CC[C@](O)(CN[C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000705814928 712136713 /nfs/dbraw/zinc/13/67/13/712136713.db2.gz VYYGDPVZZCRFQI-SRVKXCTJSA-N 2 1 239.363 -0.088 20 0 BBADMP C[N@H+]1CC[C@](O)(CN[C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000705814930 712136458 /nfs/dbraw/zinc/13/64/58/712136458.db2.gz VYYGDPVZZCRFQI-TUAOUCFPSA-N 2 1 239.363 -0.088 20 0 BBADMP C[N@H+]1CC[C@](O)(CN[C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000705814933 712136361 /nfs/dbraw/zinc/13/63/61/712136361.db2.gz VYYGDPVZZCRFQI-UTUOFQBUSA-N 2 1 239.363 -0.088 20 0 BBADMP C[N@H+]1CC[C@](O)(CN[C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000705814938 712136607 /nfs/dbraw/zinc/13/66/07/712136607.db2.gz VYYGDPVZZCRFQI-WOPDTQHZSA-N 2 1 239.363 -0.088 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)CCN1CCOC1=O ZINC000706638381 712152094 /nfs/dbraw/zinc/15/20/94/712152094.db2.gz VWWXQRAMCREMJG-UHFFFAOYSA-N 2 1 245.323 -0.394 20 0 BBADMP CC[C@H](O)C[N@@H+](C)CCOCC[NH2+]C ZINC000706680484 712151867 /nfs/dbraw/zinc/15/18/67/712151867.db2.gz OATISHVFWDOYLZ-JTQLQIEISA-N 2 1 204.314 -0.075 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)C[C@H](O)COC ZINC000706703576 712152632 /nfs/dbraw/zinc/15/26/32/712152632.db2.gz CGRYQJKPDALNSE-JTQLQIEISA-N 2 1 220.313 -0.839 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H](O)COC ZINC000706703577 712152766 /nfs/dbraw/zinc/15/27/66/712152766.db2.gz CGRYQJKPDALNSE-SNVBAGLBSA-N 2 1 220.313 -0.839 20 0 BBADMP Cn1nnnc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000707367900 712170267 /nfs/dbraw/zinc/17/02/67/712170267.db2.gz NTSYYPDZRPKIOC-UHFFFAOYSA-N 2 1 224.312 -0.088 20 0 BBADMP Cn1nnnc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000707367900 712170266 /nfs/dbraw/zinc/17/02/66/712170266.db2.gz NTSYYPDZRPKIOC-UHFFFAOYSA-N 2 1 224.312 -0.088 20 0 BBADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708061881 712172365 /nfs/dbraw/zinc/17/23/65/712172365.db2.gz DUBVETIMGTWAQL-IWSPIJDZSA-N 2 1 242.323 -0.643 20 0 BBADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708061881 712172363 /nfs/dbraw/zinc/17/23/63/712172363.db2.gz DUBVETIMGTWAQL-IWSPIJDZSA-N 2 1 242.323 -0.643 20 0 BBADMP COC[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708824698 712199883 /nfs/dbraw/zinc/19/98/83/712199883.db2.gz BISAXFLQQHBLMA-OPRDCNLKSA-N 2 1 202.298 -0.480 20 0 BBADMP COCCOC[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708830115 712200304 /nfs/dbraw/zinc/20/03/04/712200304.db2.gz KIZMDMNRGBODOL-IJLUTSLNSA-N 2 1 246.351 -0.463 20 0 BBADMP CCOC[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708864125 712201520 /nfs/dbraw/zinc/20/15/20/712201520.db2.gz WVTQRQXPFOJGPT-GMTAPVOTSA-N 2 1 216.325 -0.090 20 0 BBADMP CCOC[C@H](O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708864126 712201273 /nfs/dbraw/zinc/20/12/73/712201273.db2.gz WVTQRQXPFOJGPT-HBNTYKKESA-N 2 1 216.325 -0.090 20 0 BBADMP CC(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710579104 712263227 /nfs/dbraw/zinc/26/32/27/712263227.db2.gz VSKZHRSOFPMIGM-UHFFFAOYSA-N 2 1 214.309 -0.036 20 0 BBADMP CCNC(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710665341 712265191 /nfs/dbraw/zinc/26/51/91/712265191.db2.gz QQFUVCNIJQEHLM-UHFFFAOYSA-N 2 1 243.351 -0.489 20 0 BBADMP CNC(=O)NC(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000710757109 712256506 /nfs/dbraw/zinc/25/65/06/712256506.db2.gz CXCSBULSIBTTLT-UHFFFAOYSA-N 2 1 244.339 -0.107 20 0 BBADMP C[C@@H]1COC[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000710951334 712267163 /nfs/dbraw/zinc/26/71/63/712267163.db2.gz RJZFWECDVGATMR-BBBLOLIVSA-N 2 1 202.298 -0.467 20 0 BBADMP C[C@@H]1COC[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000710951337 712267392 /nfs/dbraw/zinc/26/73/92/712267392.db2.gz RJZFWECDVGATMR-KXUCPTDWSA-N 2 1 202.298 -0.467 20 0 BBADMP C[C@@H]1COC[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000710951339 712267054 /nfs/dbraw/zinc/26/70/54/712267054.db2.gz RJZFWECDVGATMR-OPRDCNLKSA-N 2 1 202.298 -0.467 20 0 BBADMP C[C@@H]1COC[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000710951343 711452759 /nfs/dbraw/zinc/45/27/59/711452759.db2.gz RJZFWECDVGATMR-UTLUCORTSA-N 2 1 202.298 -0.467 20 0 BBADMP C[C@@H]1C[N@@H+](CCn2cnnn2)CC[C@@H]1C[NH3+] ZINC000711899337 712338690 /nfs/dbraw/zinc/33/86/90/712338690.db2.gz HYGOMWLATQPBBS-NXEZZACHSA-N 2 1 224.312 -0.410 20 0 BBADMP C[C@H]1C[N@@H+](CCn2cnnn2)CC[C@H]1C[NH3+] ZINC000711899342 712338867 /nfs/dbraw/zinc/33/88/67/712338867.db2.gz HYGOMWLATQPBBS-UWVGGRQHSA-N 2 1 224.312 -0.410 20 0 BBADMP C[C@H]1C[N@@H+](CCn2cnnn2)CC[C@@H]1C[NH3+] ZINC000711899347 712338790 /nfs/dbraw/zinc/33/87/90/712338790.db2.gz HYGOMWLATQPBBS-VHSXEESVSA-N 2 1 224.312 -0.410 20 0 BBADMP C[C@@H]1C[N@@H+](CCn2cnnn2)CC[C@H]1C[NH3+] ZINC000711899361 712338703 /nfs/dbraw/zinc/33/87/03/712338703.db2.gz HYGOMWLATQPBBS-ZJUUUORDSA-N 2 1 224.312 -0.410 20 0 BBADMP C[C@@H]1C[N@@H+](CCn2cnnn2)C[C@H]1C[NH3+] ZINC000711903162 712337511 /nfs/dbraw/zinc/33/75/11/712337511.db2.gz PADIAKIEUCTCTP-RKDXNWHRSA-N 2 1 210.285 -0.800 20 0 BBADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCn1cnnn1)C2 ZINC000711903731 712337530 /nfs/dbraw/zinc/33/75/30/712337530.db2.gz QTKNKTDJFTUHAO-AEJSXWLSSA-N 2 1 222.296 -0.515 20 0 BBADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCn1cnnn1)C2 ZINC000711903743 712337594 /nfs/dbraw/zinc/33/75/94/712337594.db2.gz QTKNKTDJFTUHAO-GUBZILKMSA-N 2 1 222.296 -0.515 20 0 BBADMP c1nnnn1CC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000711916687 712338836 /nfs/dbraw/zinc/33/88/36/712338836.db2.gz DQROWUCOOINGIS-UHFFFAOYSA-N 2 1 236.323 -0.251 20 0 BBADMP c1nnnn1CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000711922188 712339521 /nfs/dbraw/zinc/33/95/21/712339521.db2.gz ZAGFITKERJLICP-VHSXEESVSA-N 2 1 222.296 -0.786 20 0 BBADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCn2cnnn2)C1 ZINC000712549738 712444460 /nfs/dbraw/zinc/44/44/60/712444460.db2.gz AJXOZNIJANMDNG-JTQLQIEISA-N 2 1 224.312 -0.266 20 0 BBADMP [NH3+]CC[C@H]1CCC[N@@H+](CCn2cnnn2)C1 ZINC000712549739 712444479 /nfs/dbraw/zinc/44/44/79/712444479.db2.gz AJXOZNIJANMDNG-SNVBAGLBSA-N 2 1 224.312 -0.266 20 0 BBADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCn2cnnn2)C1 ZINC000712550373 712444307 /nfs/dbraw/zinc/44/43/07/712444307.db2.gz DVEZUABHIJMUTQ-JTQLQIEISA-N 2 1 224.312 -0.396 20 0 BBADMP C[NH2+]C[C@@H]1CCC[N@H+](CCn2cnnn2)C1 ZINC000712550373 712444306 /nfs/dbraw/zinc/44/43/06/712444306.db2.gz DVEZUABHIJMUTQ-JTQLQIEISA-N 2 1 224.312 -0.396 20 0 BBADMP C[NH2+]C[C@H]1CCC[N@@H+](CCn2cnnn2)C1 ZINC000712550375 712444455 /nfs/dbraw/zinc/44/44/55/712444455.db2.gz DVEZUABHIJMUTQ-SNVBAGLBSA-N 2 1 224.312 -0.396 20 0 BBADMP C[NH2+]C[C@H]1CCC[N@H+](CCn2cnnn2)C1 ZINC000712550375 712444454 /nfs/dbraw/zinc/44/44/54/712444454.db2.gz DVEZUABHIJMUTQ-SNVBAGLBSA-N 2 1 224.312 -0.396 20 0 BBADMP C[C@@H]1CC[N@@H+](CCn2cnnn2)C[C@H]1C[NH3+] ZINC000712550438 712444194 /nfs/dbraw/zinc/44/41/94/712444194.db2.gz GEVWVENXPCSVEP-NXEZZACHSA-N 2 1 224.312 -0.410 20 0 BBADMP C[C@H]1CC[N@@H+](CCn2cnnn2)C[C@@H]1C[NH3+] ZINC000712550439 712444240 /nfs/dbraw/zinc/44/42/40/712444240.db2.gz GEVWVENXPCSVEP-UWVGGRQHSA-N 2 1 224.312 -0.410 20 0 BBADMP C[C@H]1CC[N@@H+](CCn2cnnn2)C[C@H]1C[NH3+] ZINC000712550440 712444328 /nfs/dbraw/zinc/44/43/28/712444328.db2.gz GEVWVENXPCSVEP-VHSXEESVSA-N 2 1 224.312 -0.410 20 0 BBADMP C[C@@H]1CC[N@@H+](CCn2cnnn2)C[C@@H]1C[NH3+] ZINC000712550444 712444508 /nfs/dbraw/zinc/44/45/08/712444508.db2.gz GEVWVENXPCSVEP-ZJUUUORDSA-N 2 1 224.312 -0.410 20 0 BBADMP C[N@@H+](CCn1cnnn1)CC(C)(C)C[NH3+] ZINC000712550455 712444229 /nfs/dbraw/zinc/44/42/29/712444229.db2.gz GHXIHHUBFCVVNP-UHFFFAOYSA-N 2 1 212.301 -0.410 20 0 BBADMP c1nnnn1CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000712550904 712444556 /nfs/dbraw/zinc/44/45/56/712444556.db2.gz GYXNNGSFNNXSEI-NXEZZACHSA-N 2 1 222.296 -0.643 20 0 BBADMP c1nnnn1CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000712550904 712444555 /nfs/dbraw/zinc/44/45/55/712444555.db2.gz GYXNNGSFNNXSEI-NXEZZACHSA-N 2 1 222.296 -0.643 20 0 BBADMP c1nnnn1CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000712550905 712444132 /nfs/dbraw/zinc/44/41/32/712444132.db2.gz GYXNNGSFNNXSEI-UWVGGRQHSA-N 2 1 222.296 -0.643 20 0 BBADMP c1nnnn1CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000712550905 712444130 /nfs/dbraw/zinc/44/41/30/712444130.db2.gz GYXNNGSFNNXSEI-UWVGGRQHSA-N 2 1 222.296 -0.643 20 0 BBADMP c1nnnn1CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000712550906 711472659 /nfs/dbraw/zinc/47/26/59/711472659.db2.gz GYXNNGSFNNXSEI-VHSXEESVSA-N 2 1 222.296 -0.643 20 0 BBADMP c1nnnn1CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000712550906 711472657 /nfs/dbraw/zinc/47/26/57/711472657.db2.gz GYXNNGSFNNXSEI-VHSXEESVSA-N 2 1 222.296 -0.643 20 0 BBADMP c1nnnn1CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000712550907 712444344 /nfs/dbraw/zinc/44/43/44/712444344.db2.gz GYXNNGSFNNXSEI-ZJUUUORDSA-N 2 1 222.296 -0.643 20 0 BBADMP c1nnnn1CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000712550907 712444343 /nfs/dbraw/zinc/44/43/43/712444343.db2.gz GYXNNGSFNNXSEI-ZJUUUORDSA-N 2 1 222.296 -0.643 20 0 BBADMP c1nnnn1CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000712552701 712445147 /nfs/dbraw/zinc/44/51/47/712445147.db2.gz PFGNUVWUAWYDCN-JTQLQIEISA-N 2 1 222.296 -0.642 20 0 BBADMP c1nnnn1CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000712552701 712445145 /nfs/dbraw/zinc/44/51/45/712445145.db2.gz PFGNUVWUAWYDCN-JTQLQIEISA-N 2 1 222.296 -0.642 20 0 BBADMP c1nnnn1CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000712552702 712444943 /nfs/dbraw/zinc/44/49/43/712444943.db2.gz PFGNUVWUAWYDCN-SNVBAGLBSA-N 2 1 222.296 -0.642 20 0 BBADMP c1nnnn1CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000712552702 712444942 /nfs/dbraw/zinc/44/49/42/712444942.db2.gz PFGNUVWUAWYDCN-SNVBAGLBSA-N 2 1 222.296 -0.642 20 0 BBADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCn1cnnn1 ZINC000712552861 712444877 /nfs/dbraw/zinc/44/48/77/712444877.db2.gz QVAPAQZIRWSNND-JTQLQIEISA-N 2 1 224.312 -0.124 20 0 BBADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCn1cnnn1 ZINC000712552863 712444763 /nfs/dbraw/zinc/44/47/63/712444763.db2.gz QVAPAQZIRWSNND-SNVBAGLBSA-N 2 1 224.312 -0.124 20 0 BBADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCn1cnnn1)C2 ZINC000712553382 712445038 /nfs/dbraw/zinc/44/50/38/712445038.db2.gz XSAALFKNGNGETE-VHSXEESVSA-N 2 1 222.296 -0.786 20 0 BBADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCn1cnnn1)C2 ZINC000712553382 712445037 /nfs/dbraw/zinc/44/50/37/712445037.db2.gz XSAALFKNGNGETE-VHSXEESVSA-N 2 1 222.296 -0.786 20 0 BBADMP CC1(C)CC[NH2+]CC[N@H+]1CCC(=O)NC(N)=O ZINC000712558253 712445654 /nfs/dbraw/zinc/44/56/54/712445654.db2.gz NSGWMKOGHPRJCI-UHFFFAOYSA-N 2 1 242.323 -0.355 20 0 BBADMP CC1(C)CC[NH2+]CC[N@@H+]1CCC(=O)NC(N)=O ZINC000712558253 712445652 /nfs/dbraw/zinc/44/56/52/712445652.db2.gz NSGWMKOGHPRJCI-UHFFFAOYSA-N 2 1 242.323 -0.355 20 0 BBADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCn2cnnn2)C1 ZINC000712574518 712448334 /nfs/dbraw/zinc/44/83/34/712448334.db2.gz CDVXVSAXCGJQPD-BDAKNGLRSA-N 2 1 210.285 -0.658 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCn2cnnn2)C1 ZINC000712574521 712448134 /nfs/dbraw/zinc/44/81/34/712448134.db2.gz CDVXVSAXCGJQPD-DTWKUNHWSA-N 2 1 210.285 -0.658 20 0 BBADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCn2cnnn2)C1 ZINC000712574523 712448144 /nfs/dbraw/zinc/44/81/44/712448144.db2.gz CDVXVSAXCGJQPD-IUCAKERBSA-N 2 1 210.285 -0.658 20 0 BBADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCn2cnnn2)C1 ZINC000712574526 712448274 /nfs/dbraw/zinc/44/82/74/712448274.db2.gz CDVXVSAXCGJQPD-RKDXNWHRSA-N 2 1 210.285 -0.658 20 0 BBADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCn3cnnn3)C[C@@H]21 ZINC000712575222 712448325 /nfs/dbraw/zinc/44/83/25/712448325.db2.gz GWXWZVJWVYSETC-GARJFASQSA-N 2 1 236.323 -0.268 20 0 BBADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCn3cnnn3)C[C@H]21 ZINC000712575226 712448208 /nfs/dbraw/zinc/44/82/08/712448208.db2.gz GWXWZVJWVYSETC-GMTAPVOTSA-N 2 1 236.323 -0.268 20 0 BBADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCn3cnnn3)C[C@H]21 ZINC000712575229 712448236 /nfs/dbraw/zinc/44/82/36/712448236.db2.gz GWXWZVJWVYSETC-HBNTYKKESA-N 2 1 236.323 -0.268 20 0 BBADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCn3cnnn3)C[C@@H]21 ZINC000712575233 712448328 /nfs/dbraw/zinc/44/83/28/712448328.db2.gz GWXWZVJWVYSETC-OUAUKWLOSA-N 2 1 236.323 -0.268 20 0 BBADMP C[C@@H]1C[C@@H](C)[N@@H+](CCn2cnnn2)C[C@H]1C[NH3+] ZINC000712575301 712448147 /nfs/dbraw/zinc/44/81/47/712448147.db2.gz HVXFFIVYHYXJBM-GMTAPVOTSA-N 2 1 238.339 -0.022 20 0 BBADMP C[C@@H]1C[C@@H](C)[N@@H+](CCn2cnnn2)C[C@@H]1C[NH3+] ZINC000712575304 712448373 /nfs/dbraw/zinc/44/83/73/712448373.db2.gz HVXFFIVYHYXJBM-MXWKQRLJSA-N 2 1 238.339 -0.022 20 0 BBADMP C[C@@H]1C[C@H](C)[N@@H+](CCn2cnnn2)C[C@H]1C[NH3+] ZINC000712575307 712448165 /nfs/dbraw/zinc/44/81/65/712448165.db2.gz HVXFFIVYHYXJBM-OUAUKWLOSA-N 2 1 238.339 -0.022 20 0 BBADMP C[C@@H]1C[C@H](C)[N@@H+](CCn2cnnn2)C[C@@H]1C[NH3+] ZINC000712575310 712448114 /nfs/dbraw/zinc/44/81/14/712448114.db2.gz HVXFFIVYHYXJBM-VWYCJHECSA-N 2 1 238.339 -0.022 20 0 BBADMP C[NH2+]C[C@H]1CC[N@@H+](CCn2cnnn2)C1 ZINC000712575326 712448102 /nfs/dbraw/zinc/44/81/02/712448102.db2.gz IHDUKAJBOXQQCL-SECBINFHSA-N 2 1 210.285 -0.786 20 0 BBADMP C[NH2+]C[C@H]1CC[N@H+](CCn2cnnn2)C1 ZINC000712575326 712448101 /nfs/dbraw/zinc/44/81/01/712448101.db2.gz IHDUKAJBOXQQCL-SECBINFHSA-N 2 1 210.285 -0.786 20 0 BBADMP C[NH2+]C[C@@H]1CC[N@@H+](CCn2cnnn2)C1 ZINC000712575327 712448068 /nfs/dbraw/zinc/44/80/68/712448068.db2.gz IHDUKAJBOXQQCL-VIFPVBQESA-N 2 1 210.285 -0.786 20 0 BBADMP C[NH2+]C[C@@H]1CC[N@H+](CCn2cnnn2)C1 ZINC000712575327 712448066 /nfs/dbraw/zinc/44/80/66/712448066.db2.gz IHDUKAJBOXQQCL-VIFPVBQESA-N 2 1 210.285 -0.786 20 0 BBADMP c1nnnn1CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000712575375 712448240 /nfs/dbraw/zinc/44/82/40/712448240.db2.gz JDCPBGWBPMLOTP-LLVKDONJSA-N 2 1 236.323 -0.251 20 0 BBADMP c1nnnn1CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000712575375 712448239 /nfs/dbraw/zinc/44/82/39/712448239.db2.gz JDCPBGWBPMLOTP-LLVKDONJSA-N 2 1 236.323 -0.251 20 0 BBADMP c1nnnn1CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000712575376 712448386 /nfs/dbraw/zinc/44/83/86/712448386.db2.gz JDCPBGWBPMLOTP-NSHDSACASA-N 2 1 236.323 -0.251 20 0 BBADMP c1nnnn1CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000712575376 712448385 /nfs/dbraw/zinc/44/83/85/712448385.db2.gz JDCPBGWBPMLOTP-NSHDSACASA-N 2 1 236.323 -0.251 20 0 BBADMP C[N@@H+](CCn1cnnn1)C1CC[NH2+]CC1 ZINC000712575387 712448132 /nfs/dbraw/zinc/44/81/32/712448132.db2.gz JLEDMSIUGWMDJB-UHFFFAOYSA-N 2 1 210.285 -0.643 20 0 BBADMP C[N@H+](CCn1cnnn1)C1CC[NH2+]CC1 ZINC000712575387 712448131 /nfs/dbraw/zinc/44/81/31/712448131.db2.gz JLEDMSIUGWMDJB-UHFFFAOYSA-N 2 1 210.285 -0.643 20 0 BBADMP [NH3+]CC[C@@H]1CC[N@@H+](CCn2cnnn2)C1 ZINC000712575388 712448076 /nfs/dbraw/zinc/44/80/76/712448076.db2.gz JMVVINQYAOULKN-SECBINFHSA-N 2 1 210.285 -0.656 20 0 BBADMP [NH3+]CC[C@H]1CC[N@@H+](CCn2cnnn2)C1 ZINC000712575389 712448089 /nfs/dbraw/zinc/44/80/89/712448089.db2.gz JMVVINQYAOULKN-VIFPVBQESA-N 2 1 210.285 -0.656 20 0 BBADMP CC1(C)CC[NH2+]CC[N@H+]1CCn1cnnn1 ZINC000712575416 712448201 /nfs/dbraw/zinc/44/82/01/712448201.db2.gz KOHRQHCJACPWAV-UHFFFAOYSA-N 2 1 224.312 -0.253 20 0 BBADMP CC1(C)CC[NH2+]CC[N@@H+]1CCn1cnnn1 ZINC000712575416 712448200 /nfs/dbraw/zinc/44/82/00/712448200.db2.gz KOHRQHCJACPWAV-UHFFFAOYSA-N 2 1 224.312 -0.253 20 0 BBADMP C[N@@H+](CCn1cnnn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000712575786 712448141 /nfs/dbraw/zinc/44/81/41/712448141.db2.gz NDQQUMYCTAITLD-ZACCUICWSA-N 2 1 236.323 -0.112 20 0 BBADMP C[N@H+](CCn1cnnn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000712575786 712448140 /nfs/dbraw/zinc/44/81/40/712448140.db2.gz NDQQUMYCTAITLD-ZACCUICWSA-N 2 1 236.323 -0.112 20 0 BBADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCn1cnnn1 ZINC000712576211 712447984 /nfs/dbraw/zinc/44/79/84/712447984.db2.gz PBTKGFKITCBVMT-JTQLQIEISA-N 2 1 226.328 -0.022 20 0 BBADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCn1cnnn1 ZINC000712576213 712448029 /nfs/dbraw/zinc/44/80/29/712448029.db2.gz PBTKGFKITCBVMT-SNVBAGLBSA-N 2 1 226.328 -0.022 20 0 BBADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCn1cnnn1)C2 ZINC000712576762 712448379 /nfs/dbraw/zinc/44/83/79/712448379.db2.gz RFTBQSFIQXMCEI-QWRGUYRKSA-N 2 1 236.323 -0.266 20 0 BBADMP [NH3+]C[C@H]1CCC[N@@H+](CCn2cnnn2)C1 ZINC000712576888 712448233 /nfs/dbraw/zinc/44/82/33/712448233.db2.gz SYVZVNUKTCGXOV-SECBINFHSA-N 2 1 210.285 -0.656 20 0 BBADMP [NH3+]C[C@@H]1CCC[N@@H+](CCn2cnnn2)C1 ZINC000712576909 712448109 /nfs/dbraw/zinc/44/81/09/712448109.db2.gz SYVZVNUKTCGXOV-VIFPVBQESA-N 2 1 210.285 -0.656 20 0 BBADMP C[C@]1(C[NH3+])CC[N@@H+](CCn2cnnn2)C1 ZINC000712578067 712432821 /nfs/dbraw/zinc/43/28/21/712432821.db2.gz XPXKYHUVQAEAOS-SECBINFHSA-N 2 1 210.285 -0.656 20 0 BBADMP C[C@@]1(C[NH3+])CC[N@@H+](CCn2cnnn2)C1 ZINC000712578068 712432625 /nfs/dbraw/zinc/43/26/25/712432625.db2.gz XPXKYHUVQAEAOS-VIFPVBQESA-N 2 1 210.285 -0.656 20 0 BBADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCn1cnnn1 ZINC000712578387 712432681 /nfs/dbraw/zinc/43/26/81/712432681.db2.gz ZXWFKUSFSVHREA-BDAKNGLRSA-N 2 1 210.285 -0.515 20 0 BBADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCn1cnnn1 ZINC000712578387 712432680 /nfs/dbraw/zinc/43/26/80/712432680.db2.gz ZXWFKUSFSVHREA-BDAKNGLRSA-N 2 1 210.285 -0.515 20 0 BBADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCn1cnnn1 ZINC000712578390 712432672 /nfs/dbraw/zinc/43/26/72/712432672.db2.gz ZXWFKUSFSVHREA-DTWKUNHWSA-N 2 1 210.285 -0.515 20 0 BBADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCn1cnnn1 ZINC000712578390 712432671 /nfs/dbraw/zinc/43/26/71/712432671.db2.gz ZXWFKUSFSVHREA-DTWKUNHWSA-N 2 1 210.285 -0.515 20 0 BBADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCn1cnnn1 ZINC000712578392 712432787 /nfs/dbraw/zinc/43/27/87/712432787.db2.gz ZXWFKUSFSVHREA-IUCAKERBSA-N 2 1 210.285 -0.515 20 0 BBADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCn1cnnn1 ZINC000712578392 712432786 /nfs/dbraw/zinc/43/27/86/712432786.db2.gz ZXWFKUSFSVHREA-IUCAKERBSA-N 2 1 210.285 -0.515 20 0 BBADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCn1cnnn1 ZINC000712578396 712432794 /nfs/dbraw/zinc/43/27/94/712432794.db2.gz ZXWFKUSFSVHREA-RKDXNWHRSA-N 2 1 210.285 -0.515 20 0 BBADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCn1cnnn1 ZINC000712578396 712432793 /nfs/dbraw/zinc/43/27/93/712432793.db2.gz ZXWFKUSFSVHREA-RKDXNWHRSA-N 2 1 210.285 -0.515 20 0 BBADMP CC[C@@H]1C[N@@H+](CCn2cnnn2)CC[C@H]1[NH3+] ZINC000712607927 712437497 /nfs/dbraw/zinc/43/74/97/712437497.db2.gz AQZIVUDQLJHMLC-NXEZZACHSA-N 2 1 224.312 -0.268 20 0 BBADMP CC[C@H]1C[N@@H+](CCn2cnnn2)CC[C@@H]1[NH3+] ZINC000712607928 712437735 /nfs/dbraw/zinc/43/77/35/712437735.db2.gz AQZIVUDQLJHMLC-UWVGGRQHSA-N 2 1 224.312 -0.268 20 0 BBADMP CC[C@H]1C[N@@H+](CCn2cnnn2)CC[C@H]1[NH3+] ZINC000712607929 712437374 /nfs/dbraw/zinc/43/73/74/712437374.db2.gz AQZIVUDQLJHMLC-VHSXEESVSA-N 2 1 224.312 -0.268 20 0 BBADMP CC[C@@H]1C[N@@H+](CCn2cnnn2)CC[C@@H]1[NH3+] ZINC000712607930 712437221 /nfs/dbraw/zinc/43/72/21/712437221.db2.gz AQZIVUDQLJHMLC-ZJUUUORDSA-N 2 1 224.312 -0.268 20 0 BBADMP C[N@@H+](CCn1cnnn1)C1CCC([NH3+])CC1 ZINC000712608056 712437530 /nfs/dbraw/zinc/43/75/30/712437530.db2.gz BWZIPDRGBSZJAC-UHFFFAOYSA-N 2 1 224.312 -0.125 20 0 BBADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCn2cnnn2)C1 ZINC000712612840 712438125 /nfs/dbraw/zinc/43/81/25/712438125.db2.gz XJYWGRUKUWHOAI-NXEZZACHSA-N 2 1 224.312 -0.268 20 0 BBADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCn2cnnn2)C1 ZINC000712612846 712438078 /nfs/dbraw/zinc/43/80/78/712438078.db2.gz XJYWGRUKUWHOAI-UWVGGRQHSA-N 2 1 224.312 -0.268 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCn2cnnn2)C1 ZINC000712612850 712437909 /nfs/dbraw/zinc/43/79/09/712437909.db2.gz XJYWGRUKUWHOAI-VHSXEESVSA-N 2 1 224.312 -0.268 20 0 BBADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCn2cnnn2)C1 ZINC000712612855 712437980 /nfs/dbraw/zinc/43/79/80/712437980.db2.gz XJYWGRUKUWHOAI-ZJUUUORDSA-N 2 1 224.312 -0.268 20 0 BBADMP C[C@@H]1C[N@@H+](CCn2cnnn2)CC[C@@H]1[NH3+] ZINC000712613013 712438227 /nfs/dbraw/zinc/43/82/27/712438227.db2.gz YSNSYWAOTGUAJP-BDAKNGLRSA-N 2 1 210.285 -0.658 20 0 BBADMP C[C@H]1C[N@@H+](CCn2cnnn2)CC[C@H]1[NH3+] ZINC000712613015 712438008 /nfs/dbraw/zinc/43/80/08/712438008.db2.gz YSNSYWAOTGUAJP-DTWKUNHWSA-N 2 1 210.285 -0.658 20 0 BBADMP C[C@H]1C[N@@H+](CCn2cnnn2)CC[C@@H]1[NH3+] ZINC000712613019 712437992 /nfs/dbraw/zinc/43/79/92/712437992.db2.gz YSNSYWAOTGUAJP-IUCAKERBSA-N 2 1 210.285 -0.658 20 0 BBADMP C[C@@H]1C[N@@H+](CCn2cnnn2)CC[C@H]1[NH3+] ZINC000712613022 712438056 /nfs/dbraw/zinc/43/80/56/712438056.db2.gz YSNSYWAOTGUAJP-RKDXNWHRSA-N 2 1 210.285 -0.658 20 0 BBADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCn1cnnn1)C2 ZINC000712615824 712438527 /nfs/dbraw/zinc/43/85/27/712438527.db2.gz MVTGQCJFQJEGNO-PHIMTYICSA-N 2 1 236.323 -0.396 20 0 BBADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCn1cnnn1)C2 ZINC000712615824 712438526 /nfs/dbraw/zinc/43/85/26/712438526.db2.gz MVTGQCJFQJEGNO-PHIMTYICSA-N 2 1 236.323 -0.396 20 0 BBADMP CC1([NH3+])CC[NH+](CCn2cnnn2)CC1 ZINC000712615903 712438541 /nfs/dbraw/zinc/43/85/41/712438541.db2.gz NJRSMMGVBFMNAL-UHFFFAOYSA-N 2 1 210.285 -0.514 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712671915 712440208 /nfs/dbraw/zinc/44/02/08/712440208.db2.gz DIEOPUTUUJRDEN-JTQLQIEISA-N 2 1 243.351 -0.097 20 0 BBADMP C[N@H+]1CCN(C(=O)COCC[NH3+])CCC1(C)C ZINC000712672014 712440204 /nfs/dbraw/zinc/44/02/04/712440204.db2.gz FIRIPRQKDAFVCE-UHFFFAOYSA-N 2 1 243.351 -0.096 20 0 BBADMP c1nnnn1CC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713125911 712453503 /nfs/dbraw/zinc/45/35/03/712453503.db2.gz PWNYJOUJLIQHIM-UHFFFAOYSA-N 2 1 236.323 -0.109 20 0 BBADMP c1nnnn1CC[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713125911 712453502 /nfs/dbraw/zinc/45/35/02/712453502.db2.gz PWNYJOUJLIQHIM-UHFFFAOYSA-N 2 1 236.323 -0.109 20 0 BBADMP C[NH+]1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000713240000 712456096 /nfs/dbraw/zinc/45/60/96/712456096.db2.gz JYNUVQKESKMAGZ-SCVCMEIPSA-N 2 1 223.320 -0.112 20 0 BBADMP CS(=O)(=O)[C@H]1C[C@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000714252646 712481109 /nfs/dbraw/zinc/48/11/09/712481109.db2.gz DGLJJUOQTANRPK-MGCOHNPYSA-N 2 1 232.349 -0.096 20 0 BBADMP O=C1OCCN1CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000714537477 712494396 /nfs/dbraw/zinc/49/43/96/712494396.db2.gz QMKWOUDTBHDTJQ-WDEREUQCSA-N 2 1 239.319 -0.020 20 0 BBADMP CCn1cc(C[NH2+]CCOCC[NH+](C)C)nn1 ZINC000714939408 712501176 /nfs/dbraw/zinc/50/11/76/712501176.db2.gz GEPYBPYCFOBUNR-UHFFFAOYSA-N 2 1 241.339 -0.034 20 0 BBADMP C[C@@H]([NH3+])CC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000715122641 712511080 /nfs/dbraw/zinc/51/10/80/712511080.db2.gz HVLHFQPAGFFKLX-OUAUKWLOSA-N 2 1 241.335 -0.297 20 0 BBADMP C[C@@H]([NH3+])CC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000715122642 712510974 /nfs/dbraw/zinc/51/09/74/712510974.db2.gz HVLHFQPAGFFKLX-VWYCJHECSA-N 2 1 241.335 -0.297 20 0 BBADMP CC[NH+]1CCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000715124393 712510794 /nfs/dbraw/zinc/51/07/94/712510794.db2.gz LEBGSYIZGJKJLM-IUCAKERBSA-N 2 1 247.289 -0.010 20 0 BBADMP C[N@H+]1CCCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000715127049 712511625 /nfs/dbraw/zinc/51/16/25/712511625.db2.gz SNUHLMVZKPZDLY-IUCAKERBSA-N 2 1 247.289 -0.010 20 0 BBADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C1 ZINC000715128198 712511393 /nfs/dbraw/zinc/51/13/93/712511393.db2.gz ZJWFZKPTILQRNT-VGMNWLOBSA-N 2 1 247.289 -0.106 20 0 BBADMP C[NH+]1CCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000715148692 712512568 /nfs/dbraw/zinc/51/25/68/712512568.db2.gz OEQFPZZANAISQU-YUMQZZPRSA-N 2 1 233.262 -0.400 20 0 BBADMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@H]2COC(C)(C)O2)C1 ZINC000715150400 712512586 /nfs/dbraw/zinc/51/25/86/712512586.db2.gz FKWKBDGKVKFCND-CMPLNLGQSA-N 2 1 244.335 -0.206 20 0 BBADMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@H]2COC(C)(C)O2)C1 ZINC000715150402 712512430 /nfs/dbraw/zinc/51/24/30/712512430.db2.gz FKWKBDGKVKFCND-JQWIXIFHSA-N 2 1 244.335 -0.206 20 0 BBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C1 ZINC000715154790 712512930 /nfs/dbraw/zinc/51/29/30/712512930.db2.gz ZJWFZKPTILQRNT-CIUDSAMLSA-N 2 1 247.289 -0.106 20 0 BBADMP C[NH+]1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000715780293 712532537 /nfs/dbraw/zinc/53/25/37/712532537.db2.gz PFNPDXDFZZYSGB-UHFFFAOYSA-N 2 1 223.320 -0.144 20 0 BBADMP CCON1CCC([NH2+]C[C@@H](O)C[NH+](C)C)CC1 ZINC000717277407 712642185 /nfs/dbraw/zinc/64/21/85/712642185.db2.gz IVYIUJUIPOSXAX-GFCCVEGCSA-N 2 1 245.367 -0.086 20 0 BBADMP CCON1CCC([NH2+]C[C@H](O)C[NH+](C)C)CC1 ZINC000717277409 712642240 /nfs/dbraw/zinc/64/22/40/712642240.db2.gz IVYIUJUIPOSXAX-LBPRGKRZSA-N 2 1 245.367 -0.086 20 0 BBADMP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000717310498 712646280 /nfs/dbraw/zinc/64/62/80/712646280.db2.gz XQEBEXOVUOJZNJ-GMTAPVOTSA-N 2 1 243.351 -0.444 20 0 BBADMP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000717310499 712646193 /nfs/dbraw/zinc/64/61/93/712646193.db2.gz XQEBEXOVUOJZNJ-MXWKQRLJSA-N 2 1 243.351 -0.444 20 0 BBADMP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000717310500 712646169 /nfs/dbraw/zinc/64/61/69/712646169.db2.gz XQEBEXOVUOJZNJ-OUAUKWLOSA-N 2 1 243.351 -0.444 20 0 BBADMP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000717310501 712646167 /nfs/dbraw/zinc/64/61/67/712646167.db2.gz XQEBEXOVUOJZNJ-VWYCJHECSA-N 2 1 243.351 -0.444 20 0 BBADMP C[C@H](O)[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000717341939 712649520 /nfs/dbraw/zinc/64/95/20/712649520.db2.gz NTJFBXXQQFQRDV-FIQHERPVSA-N 2 1 228.336 -0.056 20 0 BBADMP C[C@H](O)[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000717341940 712649451 /nfs/dbraw/zinc/64/94/51/712649451.db2.gz NTJFBXXQQFQRDV-IRCOFANPSA-N 2 1 228.336 -0.056 20 0 BBADMP C[C@H](O)[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000717341941 712649665 /nfs/dbraw/zinc/64/96/65/712649665.db2.gz NTJFBXXQQFQRDV-NNYUYHANSA-N 2 1 228.336 -0.056 20 0 BBADMP C[C@H](O)[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000717341942 712649671 /nfs/dbraw/zinc/64/96/71/712649671.db2.gz NTJFBXXQQFQRDV-WHOHXGKFSA-N 2 1 228.336 -0.056 20 0 BBADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000717358857 712650688 /nfs/dbraw/zinc/65/06/88/712650688.db2.gz JFTYJHQDRGHPSZ-NXEZZACHSA-N 2 1 229.324 -0.833 20 0 BBADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCCNC(=O)C1 ZINC000717358858 712650807 /nfs/dbraw/zinc/65/08/07/712650807.db2.gz JFTYJHQDRGHPSZ-UWVGGRQHSA-N 2 1 229.324 -0.833 20 0 BBADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCNC(=O)C1 ZINC000717358859 712650794 /nfs/dbraw/zinc/65/07/94/712650794.db2.gz JFTYJHQDRGHPSZ-VHSXEESVSA-N 2 1 229.324 -0.833 20 0 BBADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000717358860 712650772 /nfs/dbraw/zinc/65/07/72/712650772.db2.gz JFTYJHQDRGHPSZ-ZJUUUORDSA-N 2 1 229.324 -0.833 20 0 BBADMP C[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC(=O)N1 ZINC000717930025 712734312 /nfs/dbraw/zinc/73/43/12/712734312.db2.gz QHNQQDLPFLTLQW-AEJSXWLSSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717954390 711492745 /nfs/dbraw/zinc/49/27/45/711492745.db2.gz DSVPUHKINZEXHQ-AEJSXWLSSA-N 2 1 211.309 -0.066 20 0 BBADMP O=C1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1 ZINC000719248357 712801417 /nfs/dbraw/zinc/80/14/17/712801417.db2.gz POJVNCQUUDYQAR-FGWVZKOKSA-N 2 1 223.320 -0.051 20 0 BBADMP C[N@H+](CC(N)=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000719249188 712801316 /nfs/dbraw/zinc/80/13/16/712801316.db2.gz QTSMIKMBYSVNRK-PBINXNQUSA-N 2 1 211.309 -0.066 20 0 BBADMP C[N@@H+](CCc1ccns1)C[C@H](O)C[NH3+] ZINC000719834624 712823962 /nfs/dbraw/zinc/82/39/62/712823962.db2.gz YQSFPYLUNYVZEH-MRVPVSSYSA-N 2 1 215.322 -0.063 20 0 BBADMP C[N@H+](CCc1ccns1)C[C@H](O)C[NH3+] ZINC000719834624 712823960 /nfs/dbraw/zinc/82/39/60/712823960.db2.gz YQSFPYLUNYVZEH-MRVPVSSYSA-N 2 1 215.322 -0.063 20 0 BBADMP C[N@@H+](CCc1ccns1)C[C@@H](O)C[NH3+] ZINC000719834625 711676011 /nfs/dbraw/zinc/67/60/11/711676011.db2.gz YQSFPYLUNYVZEH-QMMMGPOBSA-N 2 1 215.322 -0.063 20 0 BBADMP C[N@H+](CCc1ccns1)C[C@@H](O)C[NH3+] ZINC000719834625 711676009 /nfs/dbraw/zinc/67/60/09/711676009.db2.gz YQSFPYLUNYVZEH-QMMMGPOBSA-N 2 1 215.322 -0.063 20 0 BBADMP COC[C@@H](O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720624152 712859983 /nfs/dbraw/zinc/85/99/83/712859983.db2.gz YVSCQDKDWGSVTL-GARJFASQSA-N 2 1 214.309 -0.465 20 0 BBADMP CCOC[C@@H](O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720662124 712860984 /nfs/dbraw/zinc/86/09/84/712860984.db2.gz URRCIIRZCYLMHY-SDDRHHMPSA-N 2 1 228.336 -0.075 20 0 BBADMP C[NH2+]CC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720887765 712874501 /nfs/dbraw/zinc/87/45/01/712874501.db2.gz ITSRXIVZJZEMTQ-NXEZZACHSA-N 2 1 211.309 -0.099 20 0 BBADMP C[NH2+]CC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720887766 712874554 /nfs/dbraw/zinc/87/45/54/712874554.db2.gz ITSRXIVZJZEMTQ-UWVGGRQHSA-N 2 1 211.309 -0.099 20 0 BBADMP C[NH2+]CC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720887769 712874586 /nfs/dbraw/zinc/87/45/86/712874586.db2.gz ITSRXIVZJZEMTQ-VHSXEESVSA-N 2 1 211.309 -0.099 20 0 BBADMP C[NH2+]CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720887770 712874189 /nfs/dbraw/zinc/87/41/89/712874189.db2.gz ITSRXIVZJZEMTQ-ZJUUUORDSA-N 2 1 211.309 -0.099 20 0 BBADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)COCC[NH3+] ZINC000720908731 712877563 /nfs/dbraw/zinc/87/75/63/712877563.db2.gz UFZXNVYOJMJHDP-GHMZBOCLSA-N 2 1 241.335 -0.343 20 0 BBADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)COCC[NH3+] ZINC000720908736 712877251 /nfs/dbraw/zinc/87/72/51/712877251.db2.gz UFZXNVYOJMJHDP-MNOVXSKESA-N 2 1 241.335 -0.343 20 0 BBADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)COCC[NH3+] ZINC000720908741 712877338 /nfs/dbraw/zinc/87/73/38/712877338.db2.gz UFZXNVYOJMJHDP-QWRGUYRKSA-N 2 1 241.335 -0.343 20 0 BBADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)COCC[NH3+] ZINC000720908746 712877091 /nfs/dbraw/zinc/87/70/91/712877091.db2.gz UFZXNVYOJMJHDP-WDEREUQCSA-N 2 1 241.335 -0.343 20 0 BBADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1C[C@H](O)C1)C1CC1 ZINC000720915515 712878526 /nfs/dbraw/zinc/87/85/26/712878526.db2.gz NGXVYWKMVLOVCJ-DLOVCJGASA-N 2 1 228.336 -0.198 20 0 BBADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1C[C@H](O)C1)C1CC1 ZINC000720915515 712878523 /nfs/dbraw/zinc/87/85/23/712878523.db2.gz NGXVYWKMVLOVCJ-DLOVCJGASA-N 2 1 228.336 -0.198 20 0 BBADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1C[C@H](O)C1)C1CC1 ZINC000720915518 712878263 /nfs/dbraw/zinc/87/82/63/712878263.db2.gz NGXVYWKMVLOVCJ-YUSALJHKSA-N 2 1 228.336 -0.198 20 0 BBADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1C[C@H](O)C1)C1CC1 ZINC000720915518 712878260 /nfs/dbraw/zinc/87/82/60/712878260.db2.gz NGXVYWKMVLOVCJ-YUSALJHKSA-N 2 1 228.336 -0.198 20 0 BBADMP CC(=O)NCC[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721054224 712888961 /nfs/dbraw/zinc/88/89/61/712888961.db2.gz NIRLLXVWQUNXQT-KOLCDFICSA-N 2 1 213.325 -0.090 20 0 BBADMP CC(=O)NCC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721054224 712888960 /nfs/dbraw/zinc/88/89/60/712888960.db2.gz NIRLLXVWQUNXQT-KOLCDFICSA-N 2 1 213.325 -0.090 20 0 BBADMP C[N@H+]1CC[C@@H](c2nc(N3CC[NH2+]CC3)no2)C1 ZINC000721349958 711803005 /nfs/dbraw/zinc/80/30/05/711803005.db2.gz OATNJCJORMLXIH-SECBINFHSA-N 2 1 237.307 -0.102 20 0 BBADMP C[N@H+]1CC[C@H](c2nc(N3CC[NH2+]CC3)no2)C1 ZINC000721349959 711803079 /nfs/dbraw/zinc/80/30/79/711803079.db2.gz OATNJCJORMLXIH-VIFPVBQESA-N 2 1 237.307 -0.102 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)c1ncoc1C[NH3+] ZINC000721443391 711492848 /nfs/dbraw/zinc/49/28/48/711492848.db2.gz DRTFNJNCNVNRNQ-MRVPVSSYSA-N 2 1 238.291 -0.043 20 0 BBADMP C[N@@H+]1CCC[C@@H]1CNC(=O)c1ncoc1C[NH3+] ZINC000721443391 711492846 /nfs/dbraw/zinc/49/28/46/711492846.db2.gz DRTFNJNCNVNRNQ-MRVPVSSYSA-N 2 1 238.291 -0.043 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)c1ncoc1C[NH3+] ZINC000721443394 711492861 /nfs/dbraw/zinc/49/28/61/711492861.db2.gz DRTFNJNCNVNRNQ-QMMMGPOBSA-N 2 1 238.291 -0.043 20 0 BBADMP C[N@@H+]1CCC[C@H]1CNC(=O)c1ncoc1C[NH3+] ZINC000721443394 711492860 /nfs/dbraw/zinc/49/28/60/711492860.db2.gz DRTFNJNCNVNRNQ-QMMMGPOBSA-N 2 1 238.291 -0.043 20 0 BBADMP [NH3+]Cc1ocnc1C(=O)NCC[NH+]1CCCC1 ZINC000721449572 711497305 /nfs/dbraw/zinc/49/73/05/711497305.db2.gz OVSQLUWTEHHJAN-UHFFFAOYSA-N 2 1 238.291 -0.041 20 0 BBADMP C[N@@H+](CCNC(=O)c1ncoc1C[NH3+])C1CC1 ZINC000721449793 711497481 /nfs/dbraw/zinc/49/74/81/711497481.db2.gz QFKPYAIJRJLHRB-UHFFFAOYSA-N 2 1 238.291 -0.043 20 0 BBADMP C[N@H+](CCNC(=O)c1ncoc1C[NH3+])C1CC1 ZINC000721449793 711497479 /nfs/dbraw/zinc/49/74/79/711497479.db2.gz QFKPYAIJRJLHRB-UHFFFAOYSA-N 2 1 238.291 -0.043 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000723453264 711511449 /nfs/dbraw/zinc/51/14/49/711511449.db2.gz MVZIDOSXWLWMMA-IJLUTSLNSA-N 2 1 245.367 -0.796 20 0 BBADMP Cn1nncc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723680158 711534099 /nfs/dbraw/zinc/53/40/99/711534099.db2.gz PWQABQHUHQIOSQ-SECBINFHSA-N 2 1 209.297 -0.014 20 0 BBADMP Cn1nncc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723680159 711533932 /nfs/dbraw/zinc/53/39/32/711533932.db2.gz PWQABQHUHQIOSQ-VIFPVBQESA-N 2 1 209.297 -0.014 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723691166 711534012 /nfs/dbraw/zinc/53/40/12/711534012.db2.gz JAWUKSKLSUVCDJ-NXEZZACHSA-N 2 1 202.298 -0.336 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723691167 711534183 /nfs/dbraw/zinc/53/41/83/711534183.db2.gz JAWUKSKLSUVCDJ-UWVGGRQHSA-N 2 1 202.298 -0.336 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723691168 711533804 /nfs/dbraw/zinc/53/38/04/711533804.db2.gz JAWUKSKLSUVCDJ-VHSXEESVSA-N 2 1 202.298 -0.336 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723691214 711534175 /nfs/dbraw/zinc/53/41/75/711534175.db2.gz JAWUKSKLSUVCDJ-ZJUUUORDSA-N 2 1 202.298 -0.336 20 0 BBADMP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723711843 711535639 /nfs/dbraw/zinc/53/56/39/711535639.db2.gz JLENCVQZKRTZKJ-MRVPVSSYSA-N 2 1 228.296 -0.887 20 0 BBADMP CNC(=O)NC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723711846 711536030 /nfs/dbraw/zinc/53/60/30/711536030.db2.gz JLENCVQZKRTZKJ-QMMMGPOBSA-N 2 1 228.296 -0.887 20 0 BBADMP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723711987 711535744 /nfs/dbraw/zinc/53/57/44/711535744.db2.gz CTBYZBWOSVRXIN-SECBINFHSA-N 2 1 242.323 -0.497 20 0 BBADMP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723711988 711535936 /nfs/dbraw/zinc/53/59/36/711535936.db2.gz CTBYZBWOSVRXIN-VIFPVBQESA-N 2 1 242.323 -0.497 20 0 BBADMP COCCOC[C@@H](O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723712026 711535665 /nfs/dbraw/zinc/53/56/65/711535665.db2.gz FCCWRHCNPAWHRY-NEPJUHHUSA-N 2 1 246.351 -0.319 20 0 BBADMP COCCOC[C@H](O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723712027 711536049 /nfs/dbraw/zinc/53/60/49/711536049.db2.gz FCCWRHCNPAWHRY-NWDGAFQWSA-N 2 1 246.351 -0.319 20 0 BBADMP COCCOC[C@@H](O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723712028 711535900 /nfs/dbraw/zinc/53/59/00/711535900.db2.gz FCCWRHCNPAWHRY-RYUDHWBXSA-N 2 1 246.351 -0.319 20 0 BBADMP COCCOC[C@H](O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723712029 711535826 /nfs/dbraw/zinc/53/58/26/711535826.db2.gz FCCWRHCNPAWHRY-VXGBXAGGSA-N 2 1 246.351 -0.319 20 0 BBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723712963 711536064 /nfs/dbraw/zinc/53/60/64/711536064.db2.gz KFWIUVMUISLGCY-SECBINFHSA-N 2 1 242.323 -0.497 20 0 BBADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723712965 711535700 /nfs/dbraw/zinc/53/57/00/711535700.db2.gz KFWIUVMUISLGCY-VIFPVBQESA-N 2 1 242.323 -0.497 20 0 BBADMP COC[C@@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723873464 711541303 /nfs/dbraw/zinc/54/13/03/711541303.db2.gz BISAXFLQQHBLMA-BBBLOLIVSA-N 2 1 202.298 -0.480 20 0 BBADMP C[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1CC[NH3+] ZINC000723884655 711543401 /nfs/dbraw/zinc/54/34/01/711543401.db2.gz UUDJTRKWKMWEOX-RKDXNWHRSA-N 2 1 224.312 -0.373 20 0 BBADMP C[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1CC[NH3+] ZINC000723884655 711543400 /nfs/dbraw/zinc/54/34/00/711543400.db2.gz UUDJTRKWKMWEOX-RKDXNWHRSA-N 2 1 224.312 -0.373 20 0 BBADMP C[C@@H]1C[N@@H+](CCn2cnnn2)C[C@H]1CC[NH3+] ZINC000723887593 711543496 /nfs/dbraw/zinc/54/34/96/711543496.db2.gz VTIQJURLOMIQBY-NXEZZACHSA-N 2 1 224.312 -0.410 20 0 BBADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723893022 711543867 /nfs/dbraw/zinc/54/38/67/711543867.db2.gz VSIVSKUOTOYXCJ-RKDXNWHRSA-N 2 1 242.323 -0.641 20 0 BBADMP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CC[NH3+] ZINC000723893592 711543728 /nfs/dbraw/zinc/54/37/28/711543728.db2.gz CCCSKYXIRJRPDI-RKDXNWHRSA-N 2 1 224.312 -0.373 20 0 BBADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CC[NH3+] ZINC000723895804 711543683 /nfs/dbraw/zinc/54/36/83/711543683.db2.gz ZTLSSCSCAVNXRN-BBBLOLIVSA-N 2 1 211.309 -0.208 20 0 BBADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CC[NH3+] ZINC000723895808 711544137 /nfs/dbraw/zinc/54/41/37/711544137.db2.gz ZTLSSCSCAVNXRN-OPRDCNLKSA-N 2 1 211.309 -0.208 20 0 BBADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CC[NH3+] ZINC000723899511 711545091 /nfs/dbraw/zinc/54/50/91/711545091.db2.gz CGLSFWOPAABODY-NXEZZACHSA-N 2 1 213.325 -0.009 20 0 BBADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723910158 711544841 /nfs/dbraw/zinc/54/48/41/711544841.db2.gz SSXAGSSLBZLUII-GMTAPVOTSA-N 2 1 216.325 -0.090 20 0 BBADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723910162 711545022 /nfs/dbraw/zinc/54/50/22/711545022.db2.gz SSXAGSSLBZLUII-MXWKQRLJSA-N 2 1 216.325 -0.090 20 0 BBADMP C([C@@H]1C[C@@H]2COC[C@@H]2O1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000724562580 711592457 /nfs/dbraw/zinc/59/24/57/711592457.db2.gz HKWVTHNVUJSPDI-BNDIWNMDSA-N 2 1 238.331 -0.059 20 0 BBADMP C([C@H]1C[C@@H]2COC[C@@H]2O1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000724562585 711592309 /nfs/dbraw/zinc/59/23/09/711592309.db2.gz HKWVTHNVUJSPDI-LBELIVKGSA-N 2 1 238.331 -0.059 20 0 BBADMP C([C@@H]1C[C@@H]2COC[C@H]2O1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000724562587 711592295 /nfs/dbraw/zinc/59/22/95/711592295.db2.gz HKWVTHNVUJSPDI-NAWOPXAZSA-N 2 1 238.331 -0.059 20 0 BBADMP C([C@@H]1C[C@H]2COC[C@@H]2O1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000724562591 711592573 /nfs/dbraw/zinc/59/25/73/711592573.db2.gz HKWVTHNVUJSPDI-WJTVCTBASA-N 2 1 238.331 -0.059 20 0 BBADMP C([C@H]1C[C@H]2COC[C@@H]2O1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000724562593 711592593 /nfs/dbraw/zinc/59/25/93/711592593.db2.gz HKWVTHNVUJSPDI-YYHQMBLXSA-N 2 1 238.331 -0.059 20 0 BBADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724597176 711596296 /nfs/dbraw/zinc/59/62/96/711596296.db2.gz BBTNLOYVUTXHOO-GRYCIOLGSA-N 2 1 244.335 -0.303 20 0 BBADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724597177 711596571 /nfs/dbraw/zinc/59/65/71/711596571.db2.gz BBTNLOYVUTXHOO-SDDRHHMPSA-N 2 1 244.335 -0.303 20 0 BBADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724597178 711596332 /nfs/dbraw/zinc/59/63/32/711596332.db2.gz BBTNLOYVUTXHOO-SRVKXCTJSA-N 2 1 244.335 -0.303 20 0 BBADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724597179 711596436 /nfs/dbraw/zinc/59/64/36/711596436.db2.gz BBTNLOYVUTXHOO-WOPDTQHZSA-N 2 1 244.335 -0.303 20 0 BBADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)O[C@@H]1CCOC1 ZINC000724914170 711627826 /nfs/dbraw/zinc/62/78/26/711627826.db2.gz JQOSDVJMUBFWIX-GRYCIOLGSA-N 2 1 226.320 -0.057 20 0 BBADMP C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)O[C@@H]1CCOC1 ZINC000724914170 711627824 /nfs/dbraw/zinc/62/78/24/711627824.db2.gz JQOSDVJMUBFWIX-GRYCIOLGSA-N 2 1 226.320 -0.057 20 0 BBADMP C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)O[C@H]1CCOC1 ZINC000724914171 711627457 /nfs/dbraw/zinc/62/74/57/711627457.db2.gz JQOSDVJMUBFWIX-SRVKXCTJSA-N 2 1 226.320 -0.057 20 0 BBADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)O[C@H]1CCOC1 ZINC000724914173 711627342 /nfs/dbraw/zinc/62/73/42/711627342.db2.gz JQOSDVJMUBFWIX-TUAOUCFPSA-N 2 1 226.320 -0.057 20 0 BBADMP C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)O[C@H]1CCOC1 ZINC000724914173 711627340 /nfs/dbraw/zinc/62/73/40/711627340.db2.gz JQOSDVJMUBFWIX-TUAOUCFPSA-N 2 1 226.320 -0.057 20 0 BBADMP C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)O[C@H]1CCOC1 ZINC000724914174 711627692 /nfs/dbraw/zinc/62/76/92/711627692.db2.gz JQOSDVJMUBFWIX-UTUOFQBUSA-N 2 1 226.320 -0.057 20 0 BBADMP C[N@@H+](CCO[C@@H]1CCOC1)C[C@H](O)C[NH3+] ZINC000724915774 711627524 /nfs/dbraw/zinc/62/75/24/711627524.db2.gz RFHUSVQLABXQHN-NXEZZACHSA-N 2 1 218.297 -0.957 20 0 BBADMP C[N@H+](CCO[C@@H]1CCOC1)C[C@H](O)C[NH3+] ZINC000724915774 711627522 /nfs/dbraw/zinc/62/75/22/711627522.db2.gz RFHUSVQLABXQHN-NXEZZACHSA-N 2 1 218.297 -0.957 20 0 BBADMP C[N@@H+](CCO[C@H]1CCOC1)C[C@@H](O)C[NH3+] ZINC000724915776 711627330 /nfs/dbraw/zinc/62/73/30/711627330.db2.gz RFHUSVQLABXQHN-UWVGGRQHSA-N 2 1 218.297 -0.957 20 0 BBADMP C[N@H+](CCO[C@H]1CCOC1)C[C@@H](O)C[NH3+] ZINC000724915776 711627328 /nfs/dbraw/zinc/62/73/28/711627328.db2.gz RFHUSVQLABXQHN-UWVGGRQHSA-N 2 1 218.297 -0.957 20 0 BBADMP C[N@@H+](CCO[C@@H]1CCOC1)C[C@@H](O)C[NH3+] ZINC000724915778 711627723 /nfs/dbraw/zinc/62/77/23/711627723.db2.gz RFHUSVQLABXQHN-VHSXEESVSA-N 2 1 218.297 -0.957 20 0 BBADMP C[N@H+](CCO[C@@H]1CCOC1)C[C@@H](O)C[NH3+] ZINC000724915778 711627721 /nfs/dbraw/zinc/62/77/21/711627721.db2.gz RFHUSVQLABXQHN-VHSXEESVSA-N 2 1 218.297 -0.957 20 0 BBADMP C[N@@H+](CCO[C@H]1CCOC1)C[C@H](O)C[NH3+] ZINC000724915779 711627657 /nfs/dbraw/zinc/62/76/57/711627657.db2.gz RFHUSVQLABXQHN-ZJUUUORDSA-N 2 1 218.297 -0.957 20 0 BBADMP C[N@H+](CCO[C@H]1CCOC1)C[C@H](O)C[NH3+] ZINC000724915779 711627656 /nfs/dbraw/zinc/62/76/56/711627656.db2.gz RFHUSVQLABXQHN-ZJUUUORDSA-N 2 1 218.297 -0.957 20 0 BBADMP [NH3+]C[C@H]1C[N@@H+](CCO[C@@H]2CCOC2)CCCO1 ZINC000724943587 711632756 /nfs/dbraw/zinc/63/27/56/711632756.db2.gz QHKVFJCNXTUSBF-NEPJUHHUSA-N 2 1 244.335 -0.159 20 0 BBADMP [NH3+]C[C@H]1C[N@H+](CCO[C@@H]2CCOC2)CCCO1 ZINC000724943587 711632755 /nfs/dbraw/zinc/63/27/55/711632755.db2.gz QHKVFJCNXTUSBF-NEPJUHHUSA-N 2 1 244.335 -0.159 20 0 BBADMP [NH3+]C[C@@H]1C[N@@H+](CCO[C@H]2CCOC2)CCCO1 ZINC000724943588 711632752 /nfs/dbraw/zinc/63/27/52/711632752.db2.gz QHKVFJCNXTUSBF-NWDGAFQWSA-N 2 1 244.335 -0.159 20 0 BBADMP [NH3+]C[C@@H]1C[N@H+](CCO[C@H]2CCOC2)CCCO1 ZINC000724943588 711632750 /nfs/dbraw/zinc/63/27/50/711632750.db2.gz QHKVFJCNXTUSBF-NWDGAFQWSA-N 2 1 244.335 -0.159 20 0 BBADMP [NH3+]C[C@H]1C[N@@H+](CCO[C@H]2CCOC2)CCCO1 ZINC000724943590 711632796 /nfs/dbraw/zinc/63/27/96/711632796.db2.gz QHKVFJCNXTUSBF-RYUDHWBXSA-N 2 1 244.335 -0.159 20 0 BBADMP [NH3+]C[C@H]1C[N@H+](CCO[C@H]2CCOC2)CCCO1 ZINC000724943590 711632794 /nfs/dbraw/zinc/63/27/94/711632794.db2.gz QHKVFJCNXTUSBF-RYUDHWBXSA-N 2 1 244.335 -0.159 20 0 BBADMP [NH3+]C[C@@H]1C[N@@H+](CCO[C@@H]2CCOC2)CCCO1 ZINC000724943592 711632685 /nfs/dbraw/zinc/63/26/85/711632685.db2.gz QHKVFJCNXTUSBF-VXGBXAGGSA-N 2 1 244.335 -0.159 20 0 BBADMP [NH3+]C[C@@H]1C[N@H+](CCO[C@@H]2CCOC2)CCCO1 ZINC000724943592 711632680 /nfs/dbraw/zinc/63/26/80/711632680.db2.gz QHKVFJCNXTUSBF-VXGBXAGGSA-N 2 1 244.335 -0.159 20 0 BBADMP C[N@@H+](CCOCC[NH3+])CCO[C@@H]1CCOC1 ZINC000724955324 711634720 /nfs/dbraw/zinc/63/47/20/711634720.db2.gz GRBHFYOCIMIIKV-LLVKDONJSA-N 2 1 232.324 -0.301 20 0 BBADMP C[N@@H+](CCOCC[NH3+])CCO[C@H]1CCOC1 ZINC000724955325 711634767 /nfs/dbraw/zinc/63/47/67/711634767.db2.gz GRBHFYOCIMIIKV-NSHDSACASA-N 2 1 232.324 -0.301 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)CCO[C@@H]1CCOC1 ZINC000724957060 711634739 /nfs/dbraw/zinc/63/47/39/711634739.db2.gz SILHLLCJBJYNFX-GFCCVEGCSA-N 2 1 246.351 -0.040 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)CCO[C@H]1CCOC1 ZINC000724957061 711634656 /nfs/dbraw/zinc/63/46/56/711634656.db2.gz SILHLLCJBJYNFX-LBPRGKRZSA-N 2 1 246.351 -0.040 20 0 BBADMP CCOC[C@H](O)C[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000725034813 711645795 /nfs/dbraw/zinc/64/57/95/711645795.db2.gz AJNXBJNNYGJSNV-LLVKDONJSA-N 2 1 246.351 -0.177 20 0 BBADMP CCOC[C@H](O)C[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000725034813 711645792 /nfs/dbraw/zinc/64/57/92/711645792.db2.gz AJNXBJNNYGJSNV-LLVKDONJSA-N 2 1 246.351 -0.177 20 0 BBADMP CCOC[C@@H](O)C[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000725034822 711645299 /nfs/dbraw/zinc/64/52/99/711645299.db2.gz AJNXBJNNYGJSNV-NSHDSACASA-N 2 1 246.351 -0.177 20 0 BBADMP CCOC[C@@H](O)C[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000725034822 711645297 /nfs/dbraw/zinc/64/52/97/711645297.db2.gz AJNXBJNNYGJSNV-NSHDSACASA-N 2 1 246.351 -0.177 20 0 BBADMP C[C@@H](O)C[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000725053761 711647364 /nfs/dbraw/zinc/64/73/64/711647364.db2.gz QAWDCZQBFZUAFS-SECBINFHSA-N 2 1 202.298 -0.193 20 0 BBADMP C[C@@H](O)C[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000725053761 711647362 /nfs/dbraw/zinc/64/73/62/711647362.db2.gz QAWDCZQBFZUAFS-SECBINFHSA-N 2 1 202.298 -0.193 20 0 BBADMP C[C@H](O)C[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000725053762 711647479 /nfs/dbraw/zinc/64/74/79/711647479.db2.gz QAWDCZQBFZUAFS-VIFPVBQESA-N 2 1 202.298 -0.193 20 0 BBADMP C[C@H](O)C[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000725053762 711647476 /nfs/dbraw/zinc/64/74/76/711647476.db2.gz QAWDCZQBFZUAFS-VIFPVBQESA-N 2 1 202.298 -0.193 20 0 BBADMP [NH3+]CCN1CCC([NH+]2CCNCC2)CC1 ZINC000725273789 538105018 /nfs/dbraw/zinc/10/50/18/538105018.db2.gz GWZLINYZYZQSEQ-UHFFFAOYSA-N 2 1 212.341 -0.685 20 0 BBADMP CNC(=O)CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000727931529 583836946 /nfs/dbraw/zinc/83/69/46/583836946.db2.gz NFELSJGLRTYSJT-LLVKDONJSA-N 2 1 243.351 -0.489 20 0 BBADMP CNC(=O)CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000727931529 583836944 /nfs/dbraw/zinc/83/69/44/583836944.db2.gz NFELSJGLRTYSJT-LLVKDONJSA-N 2 1 243.351 -0.489 20 0 BBADMP CNC(=O)CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000727931548 583837195 /nfs/dbraw/zinc/83/71/95/583837195.db2.gz NFELSJGLRTYSJT-NSHDSACASA-N 2 1 243.351 -0.489 20 0 BBADMP CNC(=O)CC[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000727931548 583837194 /nfs/dbraw/zinc/83/71/94/583837194.db2.gz NFELSJGLRTYSJT-NSHDSACASA-N 2 1 243.351 -0.489 20 0 BBADMP C[N@@H+](CCO)CCNC(=O)C1CC[NH+](C)CC1 ZINC000748813968 583551537 /nfs/dbraw/zinc/55/15/37/583551537.db2.gz XIIUASLYPCAYIA-UHFFFAOYSA-N 2 1 243.351 -0.632 20 0 BBADMP C[C@H](CNC(=O)CC[NH+]1CCOCC1)[NH+](C)C ZINC000751323440 585226806 /nfs/dbraw/zinc/22/68/06/585226806.db2.gz OCZAEWIWRZCOGH-LLVKDONJSA-N 2 1 243.351 -0.225 20 0 BBADMP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)[NH+](C)C ZINC000751323507 585226713 /nfs/dbraw/zinc/22/67/13/585226713.db2.gz OCZAEWIWRZCOGH-NSHDSACASA-N 2 1 243.351 -0.225 20 0 BBADMP Cc1cc(N2CC[N@H+]3CCOC[C@@H]3C2)nc(N)[nH+]1 ZINC000754081751 644608591 /nfs/dbraw/zinc/60/85/91/644608591.db2.gz JOQQRWBABMJMNI-JTQLQIEISA-N 2 1 249.318 -0.112 20 0 BBADMP Cc1cc(N2CC[N@@H+]3CCOC[C@@H]3C2)nc(N)[nH+]1 ZINC000754081751 644608586 /nfs/dbraw/zinc/60/85/86/644608586.db2.gz JOQQRWBABMJMNI-JTQLQIEISA-N 2 1 249.318 -0.112 20 0 BBADMP Cc1cc(N2CC[N@H+]3CCOC[C@H]3C2)nc(N)[nH+]1 ZINC000754081752 644608364 /nfs/dbraw/zinc/60/83/64/644608364.db2.gz JOQQRWBABMJMNI-SNVBAGLBSA-N 2 1 249.318 -0.112 20 0 BBADMP Cc1cc(N2CC[N@@H+]3CCOC[C@H]3C2)nc(N)[nH+]1 ZINC000754081752 644608361 /nfs/dbraw/zinc/60/83/61/644608361.db2.gz JOQQRWBABMJMNI-SNVBAGLBSA-N 2 1 249.318 -0.112 20 0 BBADMP C[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)CC[N@H+]1C ZINC000754421648 585284471 /nfs/dbraw/zinc/28/44/71/585284471.db2.gz DTWOSTMXFNZJFU-GHMZBOCLSA-N 2 1 241.335 -0.521 20 0 BBADMP C[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)CC[N@@H+]1C ZINC000754421648 585284470 /nfs/dbraw/zinc/28/44/70/585284470.db2.gz DTWOSTMXFNZJFU-GHMZBOCLSA-N 2 1 241.335 -0.521 20 0 BBADMP C[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CC[N@H+]1C ZINC000754421652 585284391 /nfs/dbraw/zinc/28/43/91/585284391.db2.gz DTWOSTMXFNZJFU-MNOVXSKESA-N 2 1 241.335 -0.521 20 0 BBADMP C[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CC[N@@H+]1C ZINC000754421652 585284390 /nfs/dbraw/zinc/28/43/90/585284390.db2.gz DTWOSTMXFNZJFU-MNOVXSKESA-N 2 1 241.335 -0.521 20 0 BBADMP C[C@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CC[N@H+]1C ZINC000754421653 585284317 /nfs/dbraw/zinc/28/43/17/585284317.db2.gz DTWOSTMXFNZJFU-QWRGUYRKSA-N 2 1 241.335 -0.521 20 0 BBADMP C[C@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CC[N@@H+]1C ZINC000754421653 585284316 /nfs/dbraw/zinc/28/43/16/585284316.db2.gz DTWOSTMXFNZJFU-QWRGUYRKSA-N 2 1 241.335 -0.521 20 0 BBADMP C[C@H]1CN(C(=O)[C@H]2CN(C)CCO2)CC[N@H+]1C ZINC000754421654 585284501 /nfs/dbraw/zinc/28/45/01/585284501.db2.gz DTWOSTMXFNZJFU-WDEREUQCSA-N 2 1 241.335 -0.521 20 0 BBADMP C[C@H]1CN(C(=O)[C@H]2CN(C)CCO2)CC[N@@H+]1C ZINC000754421654 585284500 /nfs/dbraw/zinc/28/45/00/585284500.db2.gz DTWOSTMXFNZJFU-WDEREUQCSA-N 2 1 241.335 -0.521 20 0 BBADMP C[C@H](CCO)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000779401794 585753270 /nfs/dbraw/zinc/75/32/70/585753270.db2.gz YHTSVAHTFTVHTL-LLVKDONJSA-N 2 1 243.351 -0.489 20 0 BBADMP C[C@@H](CCO)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000779401795 585753365 /nfs/dbraw/zinc/75/33/65/585753365.db2.gz YHTSVAHTFTVHTL-NSHDSACASA-N 2 1 243.351 -0.489 20 0 BBADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCC(N)=O)C1 ZINC000779651107 585758525 /nfs/dbraw/zinc/75/85/25/585758525.db2.gz OMUWIDHQUZRDNR-MRVPVSSYSA-N 2 1 244.295 -0.921 20 0 BBADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCC(N)=O)C1 ZINC000779651107 585758524 /nfs/dbraw/zinc/75/85/24/585758524.db2.gz OMUWIDHQUZRDNR-MRVPVSSYSA-N 2 1 244.295 -0.921 20 0 BBADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCC(N)=O)C1 ZINC000779651123 585758396 /nfs/dbraw/zinc/75/83/96/585758396.db2.gz OMUWIDHQUZRDNR-QMMMGPOBSA-N 2 1 244.295 -0.921 20 0 BBADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCC(N)=O)C1 ZINC000779651123 585758395 /nfs/dbraw/zinc/75/83/95/585758395.db2.gz OMUWIDHQUZRDNR-QMMMGPOBSA-N 2 1 244.295 -0.921 20 0 BBADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCCO)C1 ZINC000782344080 585815702 /nfs/dbraw/zinc/81/57/02/585815702.db2.gz FBSIJARUKVTZCH-SECBINFHSA-N 2 1 231.296 -0.414 20 0 BBADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCCO)C1 ZINC000782344080 585815701 /nfs/dbraw/zinc/81/57/01/585815701.db2.gz FBSIJARUKVTZCH-SECBINFHSA-N 2 1 231.296 -0.414 20 0 BBADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCCO)C1 ZINC000782344081 585815660 /nfs/dbraw/zinc/81/56/60/585815660.db2.gz FBSIJARUKVTZCH-VIFPVBQESA-N 2 1 231.296 -0.414 20 0 BBADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCCO)C1 ZINC000782344081 585815659 /nfs/dbraw/zinc/81/56/59/585815659.db2.gz FBSIJARUKVTZCH-VIFPVBQESA-N 2 1 231.296 -0.414 20 0 BBADMP C[NH+]1CCC(C[N@H+]2CCO[C@@H](C(N)=O)C2)CC1 ZINC000788477653 585925272 /nfs/dbraw/zinc/92/52/72/585925272.db2.gz YCWXLLQHZGXWFT-LLVKDONJSA-N 2 1 241.335 -0.486 20 0 BBADMP C[NH+]1CCC(C[N@H+]2CCO[C@H](C(N)=O)C2)CC1 ZINC000788477656 585925235 /nfs/dbraw/zinc/92/52/35/585925235.db2.gz YCWXLLQHZGXWFT-NSHDSACASA-N 2 1 241.335 -0.486 20 0 BBADMP OC[C@H]1[C@@H]2C[N@@H+](C[C@H](O)C[NH+]3CCCC3)C[C@H]12 ZINC000794855728 586051648 /nfs/dbraw/zinc/05/16/48/586051648.db2.gz XTRIBLXMKPHYNV-NDBYEHHHSA-N 2 1 240.347 -0.387 20 0 BBADMP OC[C@H]1[C@@H]2C[N@H+](C[C@H](O)C[NH+]3CCCC3)C[C@H]12 ZINC000794855728 586051646 /nfs/dbraw/zinc/05/16/46/586051646.db2.gz XTRIBLXMKPHYNV-NDBYEHHHSA-N 2 1 240.347 -0.387 20 0 BBADMP OC[C@H]1[C@@H]2C[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C[C@H]12 ZINC000794855729 586051686 /nfs/dbraw/zinc/05/16/86/586051686.db2.gz XTRIBLXMKPHYNV-WUHRBBMRSA-N 2 1 240.347 -0.387 20 0 BBADMP OC[C@H]1[C@@H]2C[N@H+](C[C@@H](O)C[NH+]3CCCC3)C[C@H]12 ZINC000794855729 586051684 /nfs/dbraw/zinc/05/16/84/586051684.db2.gz XTRIBLXMKPHYNV-WUHRBBMRSA-N 2 1 240.347 -0.387 20 0 BBADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1(CO)CC1 ZINC000796503317 586105612 /nfs/dbraw/zinc/10/56/12/586105612.db2.gz YPCDNSDHUIASHK-LLVKDONJSA-N 2 1 228.336 -0.100 20 0 BBADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1(CO)CC1 ZINC000796503317 586105611 /nfs/dbraw/zinc/10/56/11/586105611.db2.gz YPCDNSDHUIASHK-LLVKDONJSA-N 2 1 228.336 -0.100 20 0 BBADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1(CO)CC1 ZINC000796503319 586105421 /nfs/dbraw/zinc/10/54/21/586105421.db2.gz YPCDNSDHUIASHK-NSHDSACASA-N 2 1 228.336 -0.100 20 0 BBADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)C1(CO)CC1 ZINC000796503319 586105420 /nfs/dbraw/zinc/10/54/20/586105420.db2.gz YPCDNSDHUIASHK-NSHDSACASA-N 2 1 228.336 -0.100 20 0 BBADMP C[N@@H+](CCC(N)=O)C[C@H](O)C[NH+]1CCCC1 ZINC000796596293 586108096 /nfs/dbraw/zinc/10/80/96/586108096.db2.gz SOZUDCJVCWWZFE-JTQLQIEISA-N 2 1 229.324 -0.750 20 0 BBADMP C[N@H+](CCC(N)=O)C[C@H](O)C[NH+]1CCCC1 ZINC000796596293 586108095 /nfs/dbraw/zinc/10/80/95/586108095.db2.gz SOZUDCJVCWWZFE-JTQLQIEISA-N 2 1 229.324 -0.750 20 0 BBADMP C[N@@H+](CCC(N)=O)C[C@@H](O)C[NH+]1CCCC1 ZINC000796596294 586108079 /nfs/dbraw/zinc/10/80/79/586108079.db2.gz SOZUDCJVCWWZFE-SNVBAGLBSA-N 2 1 229.324 -0.750 20 0 BBADMP C[N@H+](CCC(N)=O)C[C@@H](O)C[NH+]1CCCC1 ZINC000796596294 586108078 /nfs/dbraw/zinc/10/80/78/586108078.db2.gz SOZUDCJVCWWZFE-SNVBAGLBSA-N 2 1 229.324 -0.750 20 0 BBADMP C[C@@H](C[NH+](C)C)NC(=O)CC[NH+]1CCOCC1 ZINC000805423420 585591913 /nfs/dbraw/zinc/59/19/13/585591913.db2.gz DTXAWJNNISLENF-NSHDSACASA-N 2 1 243.351 -0.225 20 0 BBADMP C[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000812322925 586573542 /nfs/dbraw/zinc/57/35/42/586573542.db2.gz JZMKFJNHNGUPEE-MNOVXSKESA-N 2 1 225.336 -0.042 20 0 BBADMP C[NH+](C)CC(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000812322929 586573680 /nfs/dbraw/zinc/57/36/80/586573680.db2.gz JZMKFJNHNGUPEE-WDEREUQCSA-N 2 1 225.336 -0.042 20 0 BBADMP COC[C@@H](O)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000818986000 586920084 /nfs/dbraw/zinc/92/00/84/586920084.db2.gz CJMSCVMITVUSMG-SDDRHHMPSA-N 2 1 244.335 -0.554 20 0 BBADMP COC[C@@H](O)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000818986000 586920083 /nfs/dbraw/zinc/92/00/83/586920083.db2.gz CJMSCVMITVUSMG-SDDRHHMPSA-N 2 1 244.335 -0.554 20 0 BBADMP COC[C@@H](O)C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000818986001 586919974 /nfs/dbraw/zinc/91/99/74/586919974.db2.gz CJMSCVMITVUSMG-SRVKXCTJSA-N 2 1 244.335 -0.554 20 0 BBADMP COC[C@@H](O)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000818986001 586919972 /nfs/dbraw/zinc/91/99/72/586919972.db2.gz CJMSCVMITVUSMG-SRVKXCTJSA-N 2 1 244.335 -0.554 20 0 BBADMP C[NH+](C)CC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000819837270 586999588 /nfs/dbraw/zinc/99/95/88/586999588.db2.gz JRZKNQCEINCUMK-JTQLQIEISA-N 2 1 229.324 -0.879 20 0 BBADMP C[NH+](C)CC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000819837271 586999255 /nfs/dbraw/zinc/99/92/55/586999255.db2.gz JRZKNQCEINCUMK-SNVBAGLBSA-N 2 1 229.324 -0.879 20 0 BBADMP O=C(C[NH+]1CCCC1)NCC[NH+]1CCC1 ZINC000821210639 587102093 /nfs/dbraw/zinc/10/20/93/587102093.db2.gz AMMWNEUMFBJKAR-UHFFFAOYSA-N 2 1 211.309 -0.096 20 0 BBADMP C[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC000821954628 587147718 /nfs/dbraw/zinc/14/77/18/587147718.db2.gz HZHKUKSQRLYMSZ-GFCCVEGCSA-N 2 1 241.335 -0.735 20 0 BBADMP C[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC000821954630 587148011 /nfs/dbraw/zinc/14/80/11/587148011.db2.gz HZHKUKSQRLYMSZ-LBPRGKRZSA-N 2 1 241.335 -0.735 20 0 BBADMP C[NH+](C)CCONC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000823254804 587211274 /nfs/dbraw/zinc/21/12/74/587211274.db2.gz DJUCQJSLCZSOFK-JTQLQIEISA-N 2 1 229.324 -0.062 20 0 BBADMP C[NH+](C)CCONC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000823254805 587211511 /nfs/dbraw/zinc/21/15/11/587211511.db2.gz DJUCQJSLCZSOFK-SNVBAGLBSA-N 2 1 229.324 -0.062 20 0 BBADMP C[NH+](C)CCONC(=O)C1(C[NH+](C)C)CC1 ZINC000823255372 587211715 /nfs/dbraw/zinc/21/17/15/587211715.db2.gz VKTYQHXXYYASMN-UHFFFAOYSA-N 2 1 229.324 -0.062 20 0 BBADMP O=C(C[NH+]1CCCC1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000825015264 587298488 /nfs/dbraw/zinc/29/84/88/587298488.db2.gz NWQHSLQZHGGUGW-LLVKDONJSA-N 2 1 241.335 -0.735 20 0 BBADMP O=C(C[NH+]1CCCC1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000825088785 587303731 /nfs/dbraw/zinc/30/37/31/587303731.db2.gz NWQHSLQZHGGUGW-NSHDSACASA-N 2 1 241.335 -0.735 20 0 BBADMP Cc1cc(N2CC([N@H+]3CC[C@@H](O)C3)C2)nc(N)[nH+]1 ZINC000826573758 587355330 /nfs/dbraw/zinc/35/53/30/587355330.db2.gz IRYGVZJFZIWBAH-SNVBAGLBSA-N 2 1 249.318 -0.378 20 0 BBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000827485596 587382876 /nfs/dbraw/zinc/38/28/76/587382876.db2.gz UQNXMQXFLCBGNO-GXSJLCMTSA-N 2 1 229.299 -0.244 20 0 BBADMP C[N@H+]1CC[C@H](CNC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000827485597 587382857 /nfs/dbraw/zinc/38/28/57/587382857.db2.gz UQNXMQXFLCBGNO-KOLCDFICSA-N 2 1 229.299 -0.244 20 0 BBADMP C[N@H+]1CC[C@H](CNC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000827485598 587382734 /nfs/dbraw/zinc/38/27/34/587382734.db2.gz UQNXMQXFLCBGNO-MWLCHTKSSA-N 2 1 229.299 -0.244 20 0 BBADMP C[N@H+]1CC[C@@H](CNC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000827485599 587383014 /nfs/dbraw/zinc/38/30/14/587383014.db2.gz UQNXMQXFLCBGNO-ONGXEEELSA-N 2 1 229.299 -0.244 20 0 BBADMP C[N@H+]1CCC[C@H](NC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000827528882 587384346 /nfs/dbraw/zinc/38/43/46/587384346.db2.gz CPGIMBPGBCXHSK-ONGXEEELSA-N 2 1 229.299 -0.102 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000827701902 587397335 /nfs/dbraw/zinc/39/73/35/587397335.db2.gz SETAOCXXBDALHP-GXSJLCMTSA-N 2 1 229.299 -0.102 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000827701903 587397359 /nfs/dbraw/zinc/39/73/59/587397359.db2.gz SETAOCXXBDALHP-KOLCDFICSA-N 2 1 229.299 -0.102 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000827701904 587397239 /nfs/dbraw/zinc/39/72/39/587397239.db2.gz SETAOCXXBDALHP-MWLCHTKSSA-N 2 1 229.299 -0.102 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000827701905 587397254 /nfs/dbraw/zinc/39/72/54/587397254.db2.gz SETAOCXXBDALHP-ONGXEEELSA-N 2 1 229.299 -0.102 20 0 BBADMP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000827936123 587411210 /nfs/dbraw/zinc/41/12/10/587411210.db2.gz DZFOGEVLRJSDAT-CHWFTXMASA-N 2 1 239.319 -0.687 20 0 BBADMP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000827936124 587410887 /nfs/dbraw/zinc/41/08/87/587410887.db2.gz DZFOGEVLRJSDAT-VPOLOUISSA-N 2 1 239.319 -0.687 20 0 BBADMP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000827936125 587411061 /nfs/dbraw/zinc/41/10/61/587411061.db2.gz DZFOGEVLRJSDAT-XWLWVQCSSA-N 2 1 239.319 -0.687 20 0 BBADMP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000827936126 587410982 /nfs/dbraw/zinc/41/09/82/587410982.db2.gz DZFOGEVLRJSDAT-ZRUFSTJUSA-N 2 1 239.319 -0.687 20 0 BBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CC[NH2+]1 ZINC000827936269 587411414 /nfs/dbraw/zinc/41/14/14/587411414.db2.gz IEKWCTZKIVAVCX-GARJFASQSA-N 2 1 239.319 -0.672 20 0 BBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CC[NH2+]1 ZINC000827936271 587411367 /nfs/dbraw/zinc/41/13/67/587411367.db2.gz IEKWCTZKIVAVCX-OUAUKWLOSA-N 2 1 239.319 -0.672 20 0 BBADMP CC[N@@H+](CCNC(=O)COCC[NH3+])C(C)C ZINC000828318644 587434648 /nfs/dbraw/zinc/43/46/48/587434648.db2.gz SXXFECBPJGIDDI-UHFFFAOYSA-N 2 1 231.340 -0.192 20 0 BBADMP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000828993935 587478018 /nfs/dbraw/zinc/47/80/18/587478018.db2.gz VNYJRVNKOYADJL-GARJFASQSA-N 2 1 223.320 -0.066 20 0 BBADMP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000828993936 587478047 /nfs/dbraw/zinc/47/80/47/587478047.db2.gz VNYJRVNKOYADJL-OUAUKWLOSA-N 2 1 223.320 -0.066 20 0 BBADMP C[N@@H+](CCO)CCNC(=O)CC[NH2+]C(C)(C)C ZINC000829749240 587513588 /nfs/dbraw/zinc/51/35/88/587513588.db2.gz GBIJCZWYSWFRAI-UHFFFAOYSA-N 2 1 245.367 -0.195 20 0 BBADMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000831970357 587640747 /nfs/dbraw/zinc/64/07/47/587640747.db2.gz FCDINWBYSFIEOK-AEJSXWLSSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000831970358 587640542 /nfs/dbraw/zinc/64/05/42/587640542.db2.gz FCDINWBYSFIEOK-BBBLOLIVSA-N 2 1 211.309 -0.066 20 0 BBADMP C[C@H]1CCC[N@H+]1CCNC(=O)COCC[NH3+] ZINC000831970846 587640254 /nfs/dbraw/zinc/64/02/54/587640254.db2.gz NHQJNDXNMWXMHG-JTQLQIEISA-N 2 1 229.324 -0.438 20 0 BBADMP C[C@@H]1CCC[N@H+]1CCNC(=O)COCC[NH3+] ZINC000831970849 587640620 /nfs/dbraw/zinc/64/06/20/587640620.db2.gz NHQJNDXNMWXMHG-SNVBAGLBSA-N 2 1 229.324 -0.438 20 0 BBADMP COCC[NH2+]CC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831970863 587640680 /nfs/dbraw/zinc/64/06/80/587640680.db2.gz NKTDAJBVLGWJTI-LLVKDONJSA-N 2 1 243.351 -0.177 20 0 BBADMP COCC[NH2+]CC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831970870 587640808 /nfs/dbraw/zinc/64/08/08/587640808.db2.gz NKTDAJBVLGWJTI-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000831970939 587640210 /nfs/dbraw/zinc/64/02/10/587640210.db2.gz OOBMFJDXHHZGJL-GHMZBOCLSA-N 2 1 241.335 -0.425 20 0 BBADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000831970940 587640735 /nfs/dbraw/zinc/64/07/35/587640735.db2.gz OOBMFJDXHHZGJL-MNOVXSKESA-N 2 1 241.335 -0.425 20 0 BBADMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000831970941 587640278 /nfs/dbraw/zinc/64/02/78/587640278.db2.gz OOBMFJDXHHZGJL-QWRGUYRKSA-N 2 1 241.335 -0.425 20 0 BBADMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000831970942 587640449 /nfs/dbraw/zinc/64/04/49/587640449.db2.gz OOBMFJDXHHZGJL-WDEREUQCSA-N 2 1 241.335 -0.425 20 0 BBADMP CO[C@@H](C[NH3+])CC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831970943 587640912 /nfs/dbraw/zinc/64/09/12/587640912.db2.gz OONZKNJWQKTVSB-GHMZBOCLSA-N 2 1 243.351 -0.049 20 0 BBADMP CO[C@H](C[NH3+])CC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831970944 587640328 /nfs/dbraw/zinc/64/03/28/587640328.db2.gz OONZKNJWQKTVSB-MNOVXSKESA-N 2 1 243.351 -0.049 20 0 BBADMP CO[C@H](C[NH3+])CC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831970945 587640419 /nfs/dbraw/zinc/64/04/19/587640419.db2.gz OONZKNJWQKTVSB-QWRGUYRKSA-N 2 1 243.351 -0.049 20 0 BBADMP CO[C@@H](C[NH3+])CC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831970946 587640367 /nfs/dbraw/zinc/64/03/67/587640367.db2.gz OONZKNJWQKTVSB-WDEREUQCSA-N 2 1 243.351 -0.049 20 0 BBADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000831971272 587640965 /nfs/dbraw/zinc/64/09/65/587640965.db2.gz UULNEJRFOVIFTO-NXEZZACHSA-N 2 1 211.309 -0.051 20 0 BBADMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000831971274 587640532 /nfs/dbraw/zinc/64/05/32/587640532.db2.gz UULNEJRFOVIFTO-VHSXEESVSA-N 2 1 211.309 -0.051 20 0 BBADMP C[N@@H+]1C[C@H]2CN(C(=O)Cc3ncc[nH]3)C[C@H]2C1 ZINC000834656159 587762988 /nfs/dbraw/zinc/76/29/88/587762988.db2.gz JVVFZKTXGTVYLC-AOOOYVTPSA-N 2 1 234.303 -0.028 20 0 BBADMP CN(C(=O)c1n[nH]c2c1C[NH2+]CC2)C1CC([NH3+])C1 ZINC000834834215 587768188 /nfs/dbraw/zinc/76/81/88/587768188.db2.gz BTQAHVZOTUJHTJ-UHFFFAOYSA-N 2 1 249.318 -0.383 20 0 BBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000841852148 587978423 /nfs/dbraw/zinc/97/84/23/587978423.db2.gz FQNOQGJAODACBS-GHMZBOCLSA-N 2 1 247.289 -0.152 20 0 BBADMP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000841852149 587978389 /nfs/dbraw/zinc/97/83/89/587978389.db2.gz FQNOQGJAODACBS-MNOVXSKESA-N 2 1 247.289 -0.152 20 0 BBADMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000841852150 587978239 /nfs/dbraw/zinc/97/82/39/587978239.db2.gz FQNOQGJAODACBS-QWRGUYRKSA-N 2 1 247.289 -0.152 20 0 BBADMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000841852151 587978342 /nfs/dbraw/zinc/97/83/42/587978342.db2.gz FQNOQGJAODACBS-WDEREUQCSA-N 2 1 247.289 -0.152 20 0 BBADMP CCCCOC(=O)CC[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000842475512 588029582 /nfs/dbraw/zinc/02/95/82/588029582.db2.gz REFPZZUAKFUOJD-JTQLQIEISA-N 2 1 232.324 -0.029 20 0 BBADMP CCCCOC(=O)CC[N@@H+](C)C[C@H](O)C[NH3+] ZINC000842475513 588029997 /nfs/dbraw/zinc/02/99/97/588029997.db2.gz REFPZZUAKFUOJD-SNVBAGLBSA-N 2 1 232.324 -0.029 20 0 BBADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)c1ccccc1 ZINC000843079369 588080188 /nfs/dbraw/zinc/08/01/88/588080188.db2.gz XOJWVJHBWZFPKR-NEPJUHHUSA-N 2 1 224.304 -0.110 20 0 BBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)c1ccccc1 ZINC000843079370 588080224 /nfs/dbraw/zinc/08/02/24/588080224.db2.gz XOJWVJHBWZFPKR-NWDGAFQWSA-N 2 1 224.304 -0.110 20 0 BBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)c1ccccc1 ZINC000843079371 588080148 /nfs/dbraw/zinc/08/01/48/588080148.db2.gz XOJWVJHBWZFPKR-RYUDHWBXSA-N 2 1 224.304 -0.110 20 0 BBADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)c1ccccc1 ZINC000843079372 588080429 /nfs/dbraw/zinc/08/04/29/588080429.db2.gz XOJWVJHBWZFPKR-VXGBXAGGSA-N 2 1 224.304 -0.110 20 0 BBADMP [NH3+]CCC[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000843127763 588085051 /nfs/dbraw/zinc/08/50/51/588085051.db2.gz IDTCZHAFEILQKR-BDAKNGLRSA-N 2 1 213.281 -0.235 20 0 BBADMP C[N@@H+](CCNS(C)(=O)=O)C1CCC([NH3+])CC1 ZINC000843355464 588102964 /nfs/dbraw/zinc/10/29/64/588102964.db2.gz QNZMIAKIRFSRPV-UHFFFAOYSA-N 2 1 249.380 -0.263 20 0 BBADMP Cn1nnnc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364721 588104300 /nfs/dbraw/zinc/10/43/00/588104300.db2.gz MVZUKKXKIROPMH-UHFFFAOYSA-N 2 1 236.323 -0.214 20 0 BBADMP Cn1nnnc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364721 588104299 /nfs/dbraw/zinc/10/42/99/588104299.db2.gz MVZUKKXKIROPMH-UHFFFAOYSA-N 2 1 236.323 -0.214 20 0 BBADMP COC(=O)CC[N@@H+](CC[NH3+])C1CCOCC1 ZINC000843389644 645287941 /nfs/dbraw/zinc/28/79/41/645287941.db2.gz JPPQGBKWIBVGAU-UHFFFAOYSA-N 2 1 230.308 -0.011 20 0 BBADMP COC(=O)CC[N@H+](CC[NH3+])C1CCOCC1 ZINC000843389644 645287929 /nfs/dbraw/zinc/28/79/29/645287929.db2.gz JPPQGBKWIBVGAU-UHFFFAOYSA-N 2 1 230.308 -0.011 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000843391718 645288694 /nfs/dbraw/zinc/28/86/94/645288694.db2.gz VYZSBOJFQHDXFY-ZJUUUORDSA-N 2 1 243.307 -0.608 20 0 BBADMP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH2+]C[C@H]1C(F)F ZINC000843481179 588114527 /nfs/dbraw/zinc/11/45/27/588114527.db2.gz QANOLKRZXKHGEV-UYXSQOIJSA-N 2 1 245.273 -0.483 20 0 BBADMP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH2+]C[C@@H]1C(F)F ZINC000843481180 588114511 /nfs/dbraw/zinc/11/45/11/588114511.db2.gz QANOLKRZXKHGEV-XAVMHZPKSA-N 2 1 245.273 -0.483 20 0 BBADMP [NH3+]CCOCC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000843481350 588114290 /nfs/dbraw/zinc/11/42/90/588114290.db2.gz SRJJXYXHBKPQAV-SSDOTTSWSA-N 2 1 237.250 -0.973 20 0 BBADMP [NH3+]CCOCC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000843481351 588111881 /nfs/dbraw/zinc/11/18/81/588111881.db2.gz SRJJXYXHBKPQAV-ZETCQYMHSA-N 2 1 237.250 -0.973 20 0 BBADMP CC[NH2+]CC(=O)NCC[N@H+]1CCCOCC1 ZINC000843495741 588115736 /nfs/dbraw/zinc/11/57/36/588115736.db2.gz QDBDWMOAAJAPGP-UHFFFAOYSA-N 2 1 229.324 -0.566 20 0 BBADMP CC[NH2+]CC(=O)NCC[N@@H+]1CCCOCC1 ZINC000843495741 588115734 /nfs/dbraw/zinc/11/57/34/588115734.db2.gz QDBDWMOAAJAPGP-UHFFFAOYSA-N 2 1 229.324 -0.566 20 0 BBADMP CC[NH2+]CC(=O)NCCC[N@@H+](C)CCOC ZINC000844172712 588172494 /nfs/dbraw/zinc/17/24/94/588172494.db2.gz HLVUIOYTNGIKIA-UHFFFAOYSA-N 2 1 231.340 -0.320 20 0 BBADMP CC[NH2+]CC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000844178682 588172327 /nfs/dbraw/zinc/17/23/27/588172327.db2.gz HJONPTIKWNYRLX-LLVKDONJSA-N 2 1 243.351 -0.320 20 0 BBADMP CC[NH2+]CC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000844178683 588172213 /nfs/dbraw/zinc/17/22/13/588172213.db2.gz HJONPTIKWNYRLX-NSHDSACASA-N 2 1 243.351 -0.320 20 0 BBADMP CC[NH2+]CC(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000844181077 588172521 /nfs/dbraw/zinc/17/25/21/588172521.db2.gz MWXWBHDPWAGVKW-LLVKDONJSA-N 2 1 243.351 -0.177 20 0 BBADMP CC[NH2+]CC(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000844181078 588172417 /nfs/dbraw/zinc/17/24/17/588172417.db2.gz MWXWBHDPWAGVKW-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP CC[NH2+]CC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000844183074 588172353 /nfs/dbraw/zinc/17/23/53/588172353.db2.gz QKASKMXQVKZVDS-JTQLQIEISA-N 2 1 229.324 -0.567 20 0 BBADMP CC[NH2+]CC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000844183075 588172541 /nfs/dbraw/zinc/17/25/41/588172541.db2.gz QKASKMXQVKZVDS-SNVBAGLBSA-N 2 1 229.324 -0.567 20 0 BBADMP CC[NH2+]CC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000844184424 645315971 /nfs/dbraw/zinc/31/59/71/645315971.db2.gz MZRGEBXILTTXMJ-UHFFFAOYSA-N 2 1 239.323 -0.288 20 0 BBADMP CC[NH2+]CC(=O)NCC[N@@H+](C)CCCOC ZINC000844185479 645316565 /nfs/dbraw/zinc/31/65/65/645316565.db2.gz KIKJFHDXTFFVPT-UHFFFAOYSA-N 2 1 231.340 -0.320 20 0 BBADMP NC(=O)[C@@H]1C[N@@H+](CCCCCC[NH3+])CCO1 ZINC000846218240 588260986 /nfs/dbraw/zinc/26/09/86/588260986.db2.gz NSTPRVMYNJTARJ-JTQLQIEISA-N 2 1 229.324 -0.308 20 0 BBADMP NC(=O)[C@H]1C[N@@H+](CCCCCC[NH3+])CCO1 ZINC000846218241 588260778 /nfs/dbraw/zinc/26/07/78/588260778.db2.gz NSTPRVMYNJTARJ-SNVBAGLBSA-N 2 1 229.324 -0.308 20 0 BBADMP NCC[N@@H+](CCO)CCCCCC[NH3+] ZINC000846219438 588260626 /nfs/dbraw/zinc/26/06/26/588260626.db2.gz BBJFFDWYKJWDBN-UHFFFAOYSA-N 3 1 203.330 -0.242 20 0 BBADMP NCC[N@H+](CCO)CCCCCC[NH3+] ZINC000846219438 588260625 /nfs/dbraw/zinc/26/06/25/588260625.db2.gz BBJFFDWYKJWDBN-UHFFFAOYSA-N 3 1 203.330 -0.242 20 0 BBADMP CNC(=O)[C@H]1C[N@@H+](CCCCCC[NH3+])CCO1 ZINC000846220332 588261393 /nfs/dbraw/zinc/26/13/93/588261393.db2.gz GFRRHQYHUGFJOK-LLVKDONJSA-N 2 1 243.351 -0.048 20 0 BBADMP CNC(=O)[C@@H]1C[N@@H+](CCCCCC[NH3+])CCO1 ZINC000846220333 588261134 /nfs/dbraw/zinc/26/11/34/588261134.db2.gz GFRRHQYHUGFJOK-NSHDSACASA-N 2 1 243.351 -0.048 20 0 BBADMP NS(=O)(=O)[C@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846220552 588261335 /nfs/dbraw/zinc/26/13/35/588261335.db2.gz KPQDXLYFGDMKKF-JTQLQIEISA-N 2 1 249.380 -0.132 20 0 BBADMP NS(=O)(=O)[C@@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846220553 588261100 /nfs/dbraw/zinc/26/11/00/588261100.db2.gz KPQDXLYFGDMKKF-SNVBAGLBSA-N 2 1 249.380 -0.132 20 0 BBADMP C[N@@H+](CCCCCC[NH3+])C[C@@H](O)C[NH3+] ZINC000846221463 588261078 /nfs/dbraw/zinc/26/10/78/588261078.db2.gz YZZJPADGLZYMAB-JTQLQIEISA-N 2 1 203.330 -0.243 20 0 BBADMP C[N@@H+](CCCCCC[NH3+])C[C@H](O)C[NH3+] ZINC000846221465 588261403 /nfs/dbraw/zinc/26/14/03/588261403.db2.gz YZZJPADGLZYMAB-SNVBAGLBSA-N 2 1 203.330 -0.243 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CO)C1CC1 ZINC000846854295 588293306 /nfs/dbraw/zinc/29/33/06/588293306.db2.gz FULYWBDSRPLSOI-NEPJUHHUSA-N 2 1 246.351 -0.714 20 0 BBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](CO)C1CC1 ZINC000846854295 588293305 /nfs/dbraw/zinc/29/33/05/588293305.db2.gz FULYWBDSRPLSOI-NEPJUHHUSA-N 2 1 246.351 -0.714 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CO)C1CC1 ZINC000846854296 588293547 /nfs/dbraw/zinc/29/35/47/588293547.db2.gz FULYWBDSRPLSOI-NWDGAFQWSA-N 2 1 246.351 -0.714 20 0 BBADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](CO)C1CC1 ZINC000846854296 588293546 /nfs/dbraw/zinc/29/35/46/588293546.db2.gz FULYWBDSRPLSOI-NWDGAFQWSA-N 2 1 246.351 -0.714 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)C1CC1 ZINC000846854297 588293253 /nfs/dbraw/zinc/29/32/53/588293253.db2.gz FULYWBDSRPLSOI-RYUDHWBXSA-N 2 1 246.351 -0.714 20 0 BBADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)C1CC1 ZINC000846854297 588293252 /nfs/dbraw/zinc/29/32/52/588293252.db2.gz FULYWBDSRPLSOI-RYUDHWBXSA-N 2 1 246.351 -0.714 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CO)C1CC1 ZINC000846854298 588293350 /nfs/dbraw/zinc/29/33/50/588293350.db2.gz FULYWBDSRPLSOI-VXGBXAGGSA-N 2 1 246.351 -0.714 20 0 BBADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](CO)C1CC1 ZINC000846854298 588293349 /nfs/dbraw/zinc/29/33/49/588293349.db2.gz FULYWBDSRPLSOI-VXGBXAGGSA-N 2 1 246.351 -0.714 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CO)C1CC1 ZINC000846855656 588293553 /nfs/dbraw/zinc/29/35/53/588293553.db2.gz ZIRVJYYVFIMKJS-GHMZBOCLSA-N 2 1 216.325 -0.341 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](CO)C1CC1 ZINC000846855656 588293552 /nfs/dbraw/zinc/29/35/52/588293552.db2.gz ZIRVJYYVFIMKJS-GHMZBOCLSA-N 2 1 216.325 -0.341 20 0 BBADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CO)C1CC1 ZINC000846855658 588293414 /nfs/dbraw/zinc/29/34/14/588293414.db2.gz ZIRVJYYVFIMKJS-MNOVXSKESA-N 2 1 216.325 -0.341 20 0 BBADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](CO)C1CC1 ZINC000846855658 588293413 /nfs/dbraw/zinc/29/34/13/588293413.db2.gz ZIRVJYYVFIMKJS-MNOVXSKESA-N 2 1 216.325 -0.341 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)C1CC1 ZINC000846855660 588293420 /nfs/dbraw/zinc/29/34/20/588293420.db2.gz ZIRVJYYVFIMKJS-QWRGUYRKSA-N 2 1 216.325 -0.341 20 0 BBADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)C1CC1 ZINC000846855660 588293419 /nfs/dbraw/zinc/29/34/19/588293419.db2.gz ZIRVJYYVFIMKJS-QWRGUYRKSA-N 2 1 216.325 -0.341 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CO)C1CC1 ZINC000846855661 588293528 /nfs/dbraw/zinc/29/35/28/588293528.db2.gz ZIRVJYYVFIMKJS-WDEREUQCSA-N 2 1 216.325 -0.341 20 0 BBADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](CO)C1CC1 ZINC000846855661 588293527 /nfs/dbraw/zinc/29/35/27/588293527.db2.gz ZIRVJYYVFIMKJS-WDEREUQCSA-N 2 1 216.325 -0.341 20 0 BBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)N1CCC1 ZINC000848980383 588423056 /nfs/dbraw/zinc/42/30/56/588423056.db2.gz HPKIFAAPRVDPGF-UHFFFAOYSA-N 2 1 226.324 -0.061 20 0 BBADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCO ZINC000848980401 588423380 /nfs/dbraw/zinc/42/33/80/588423380.db2.gz JOEJLPGECXUUNU-JTQLQIEISA-N 2 1 228.340 -0.033 20 0 BBADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCO ZINC000848980402 588423271 /nfs/dbraw/zinc/42/32/71/588423271.db2.gz JOEJLPGECXUUNU-SNVBAGLBSA-N 2 1 228.340 -0.033 20 0 BBADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCO ZINC000848980444 588423361 /nfs/dbraw/zinc/42/33/61/588423361.db2.gz MTGXVZYNTURMMF-SECBINFHSA-N 2 1 214.313 -0.423 20 0 BBADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCO ZINC000848980445 588423334 /nfs/dbraw/zinc/42/33/34/588423334.db2.gz MTGXVZYNTURMMF-VIFPVBQESA-N 2 1 214.313 -0.423 20 0 BBADMP [NH2+]=C(NCCCO)NCCC[NH+]1CCOCC1 ZINC000848980456 588423353 /nfs/dbraw/zinc/42/33/53/588423353.db2.gz OPKVXBBLJNGNNW-UHFFFAOYSA-N 2 1 244.339 -0.795 20 0 BBADMP CN(C)C(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000848980495 588423044 /nfs/dbraw/zinc/42/30/44/588423044.db2.gz RTSVAJZSRVHEHM-UHFFFAOYSA-N 2 1 214.313 -0.205 20 0 BBADMP C[C@H](O)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000848980812 588422738 /nfs/dbraw/zinc/42/27/38/588422738.db2.gz OVRWXCUZZRFSTA-JTQLQIEISA-N 2 1 244.339 -0.797 20 0 BBADMP C[C@@H](O)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000848980813 588423020 /nfs/dbraw/zinc/42/30/20/588423020.db2.gz OVRWXCUZZRFSTA-SNVBAGLBSA-N 2 1 244.339 -0.797 20 0 BBADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)O ZINC000848980819 588422753 /nfs/dbraw/zinc/42/27/53/588422753.db2.gz PJEXBJROMHJIBD-NXEZZACHSA-N 2 1 228.340 -0.035 20 0 BBADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)O ZINC000848980820 588422744 /nfs/dbraw/zinc/42/27/44/588422744.db2.gz PJEXBJROMHJIBD-ZJUUUORDSA-N 2 1 228.340 -0.035 20 0 BBADMP CCNC(=[NH2+])NCCC(=O)N1CC[NH+](C)CC1 ZINC000848986469 588425817 /nfs/dbraw/zinc/42/58/17/588425817.db2.gz VGXXGNRAFDRLBW-UHFFFAOYSA-N 2 1 241.339 -0.716 20 0 BBADMP CCNC(=[NH2+])NCCN1CCC[N@@H+](C)CC1 ZINC000848993974 588428262 /nfs/dbraw/zinc/42/82/62/588428262.db2.gz ABOVHEMOKFCXJS-UHFFFAOYSA-N 2 1 227.356 -0.242 20 0 BBADMP CNC(=[NH2+])NCCN1CCC[N@@H+](C)CC1 ZINC000848994098 588428252 /nfs/dbraw/zinc/42/82/52/588428252.db2.gz QUUXJLZGLKQACU-UHFFFAOYSA-N 2 1 213.329 -0.632 20 0 BBADMP C[N@H+]1CCCN(CCNC(=[NH2+])N2CCC2)CC1 ZINC000848994118 582819772 /nfs/dbraw/zinc/81/97/72/582819772.db2.gz SZVVWXHGOLMQOG-UHFFFAOYSA-N 2 1 239.367 -0.146 20 0 BBADMP CN(C)C(=[NH2+])NCCN1CCC[N@@H+](C)CC1 ZINC000848994145 588428339 /nfs/dbraw/zinc/42/83/39/588428339.db2.gz XFJDFSPJKFKBPL-UHFFFAOYSA-N 2 1 227.356 -0.290 20 0 BBADMP C[C@H](CNC(=[NH2+])N(C)C)CN1CC[NH+](C)CC1 ZINC000848994595 582820474 /nfs/dbraw/zinc/82/04/74/582820474.db2.gz QNKZVTZNVCHATA-LLVKDONJSA-N 2 1 241.383 -0.044 20 0 BBADMP C[C@@H](CNC(=[NH2+])N(C)C)CN1CC[NH+](C)CC1 ZINC000848994600 582820454 /nfs/dbraw/zinc/82/04/54/582820454.db2.gz QNKZVTZNVCHATA-NSHDSACASA-N 2 1 241.383 -0.044 20 0 BBADMP CNC(=[NH2+])NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000848994654 588428443 /nfs/dbraw/zinc/42/84/43/588428443.db2.gz TXELSTWIPBMGTM-JTQLQIEISA-N 2 1 227.356 -0.386 20 0 BBADMP CNC(=[NH2+])NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000848994655 588428751 /nfs/dbraw/zinc/42/87/51/588428751.db2.gz TXELSTWIPBMGTM-SNVBAGLBSA-N 2 1 227.356 -0.386 20 0 BBADMP COCCNC(=[NH2+])NC[C@@H](C)[NH+](C)C ZINC000848996594 588429102 /nfs/dbraw/zinc/42/91/02/588429102.db2.gz JABUTJVLILNTCQ-MRVPVSSYSA-N 2 1 202.302 -0.303 20 0 BBADMP COCCNC(=[NH2+])NC[C@H](C)[NH+](C)C ZINC000848996595 588429299 /nfs/dbraw/zinc/42/92/99/588429299.db2.gz JABUTJVLILNTCQ-QMMMGPOBSA-N 2 1 202.302 -0.303 20 0 BBADMP C[C@H](CNC(=[NH2+])N1CCOCC1)[NH+](C)C ZINC000848996749 588429484 /nfs/dbraw/zinc/42/94/84/588429484.db2.gz WQTQPHGCDOXHJI-SECBINFHSA-N 2 1 214.313 -0.207 20 0 BBADMP C[C@@H](CNC(=[NH2+])N1CCOCC1)[NH+](C)C ZINC000848996750 588429683 /nfs/dbraw/zinc/42/96/83/588429683.db2.gz WQTQPHGCDOXHJI-VIFPVBQESA-N 2 1 214.313 -0.207 20 0 BBADMP C[N@@H+](CCNC(=[NH2+])N1CCOCC1)C1CC1 ZINC000848997561 588429540 /nfs/dbraw/zinc/42/95/40/588429540.db2.gz QNHBKNAVSOZMJR-UHFFFAOYSA-N 2 1 226.324 -0.063 20 0 BBADMP C[N@H+](CCNC(=[NH2+])N1CCOCC1)C1CC1 ZINC000848997561 588429539 /nfs/dbraw/zinc/42/95/39/588429539.db2.gz QNHBKNAVSOZMJR-UHFFFAOYSA-N 2 1 226.324 -0.063 20 0 BBADMP COCCNC(=[NH2+])NCC[N@@H+](C)C1CC1 ZINC000848997625 588429989 /nfs/dbraw/zinc/42/99/89/588429989.db2.gz VBXLNSOYAGXWGT-UHFFFAOYSA-N 2 1 214.313 -0.159 20 0 BBADMP COCCNC(=[NH2+])NCC[N@H+](C)C1CC1 ZINC000848997625 588429987 /nfs/dbraw/zinc/42/99/87/588429987.db2.gz VBXLNSOYAGXWGT-UHFFFAOYSA-N 2 1 214.313 -0.159 20 0 BBADMP CNC(=[NH2+])NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000848999335 588430221 /nfs/dbraw/zinc/43/02/21/588430221.db2.gz WYJSPFUFKLNAOP-SECBINFHSA-N 2 1 241.339 -0.682 20 0 BBADMP CNC(=[NH2+])NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000848999336 588430400 /nfs/dbraw/zinc/43/04/00/588430400.db2.gz WYJSPFUFKLNAOP-VIFPVBQESA-N 2 1 241.339 -0.682 20 0 BBADMP C[C@H](CNC1=[NH+]CCN1C)C[NH+]1CCOCC1 ZINC000849005409 588432199 /nfs/dbraw/zinc/43/21/99/588432199.db2.gz CTJMNSHKADBTLJ-LLVKDONJSA-N 2 1 240.351 -0.154 20 0 BBADMP C[C@@H](CNC1=[NH+]CCN1C)C[NH+]1CCOCC1 ZINC000849005413 588432141 /nfs/dbraw/zinc/43/21/41/588432141.db2.gz CTJMNSHKADBTLJ-NSHDSACASA-N 2 1 240.351 -0.154 20 0 BBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=[NH2+])NC1CCC1 ZINC000849008185 588433553 /nfs/dbraw/zinc/43/35/53/588433553.db2.gz WZTRYSLZAIBHRZ-LLVKDONJSA-N 2 1 239.367 -0.101 20 0 BBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=[NH2+])NC1CCC1 ZINC000849008186 588433318 /nfs/dbraw/zinc/43/33/18/588433318.db2.gz WZTRYSLZAIBHRZ-NSHDSACASA-N 2 1 239.367 -0.101 20 0 BBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=[NH2+])N1CCC1 ZINC000849008201 588433608 /nfs/dbraw/zinc/43/36/08/588433608.db2.gz XTMOGAGXEVTCQV-JTQLQIEISA-N 2 1 225.340 -0.538 20 0 BBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=[NH2+])N1CCC1 ZINC000849008202 588433485 /nfs/dbraw/zinc/43/34/85/588433485.db2.gz XTMOGAGXEVTCQV-SNVBAGLBSA-N 2 1 225.340 -0.538 20 0 BBADMP COC1CC[NH+](CCNC2=[NH+]CCN2C)CC1 ZINC000849011780 588435616 /nfs/dbraw/zinc/43/56/16/588435616.db2.gz IKUVFLZOCSEDSZ-UHFFFAOYSA-N 2 1 240.351 -0.012 20 0 BBADMP COCCNC(=[NH2+])NCC[NH+]1CCC1 ZINC000849014697 588436309 /nfs/dbraw/zinc/43/63/09/588436309.db2.gz SBHKRFRJKATGQF-UHFFFAOYSA-N 2 1 200.286 -0.548 20 0 BBADMP COC[C@@H](C)NC(=[NH2+])NCC[NH+]1CCC1 ZINC000849014701 588436296 /nfs/dbraw/zinc/43/62/96/588436296.db2.gz SITFKTPBIOGOEC-SECBINFHSA-N 2 1 214.313 -0.159 20 0 BBADMP COC[C@H](C)NC(=[NH2+])NCC[NH+]1CCC1 ZINC000849014702 588436360 /nfs/dbraw/zinc/43/63/60/588436360.db2.gz SITFKTPBIOGOEC-VIFPVBQESA-N 2 1 214.313 -0.159 20 0 BBADMP CC[C@H](C)NC(=[NH2+])NC[C@]1(O)CC[N@@H+](C)C1 ZINC000849019052 588438195 /nfs/dbraw/zinc/43/81/95/588438195.db2.gz FAULMIFSUCBWTR-GXSJLCMTSA-N 2 1 228.340 -0.035 20 0 BBADMP CC[C@@H](C)NC(=[NH2+])NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000849019053 588438144 /nfs/dbraw/zinc/43/81/44/588438144.db2.gz FAULMIFSUCBWTR-KOLCDFICSA-N 2 1 228.340 -0.035 20 0 BBADMP CC[C@@H](C)NC(=[NH2+])NC[C@]1(O)CC[N@@H+](C)C1 ZINC000849019054 588437996 /nfs/dbraw/zinc/43/79/96/588437996.db2.gz FAULMIFSUCBWTR-MWLCHTKSSA-N 2 1 228.340 -0.035 20 0 BBADMP CC[C@H](C)NC(=[NH2+])NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000849019055 582827817 /nfs/dbraw/zinc/82/78/17/582827817.db2.gz FAULMIFSUCBWTR-ONGXEEELSA-N 2 1 228.340 -0.035 20 0 BBADMP C[N@H+]1CC[C@](O)(CNC(=[NH2+])N2CCC2)C1 ZINC000849019073 588438288 /nfs/dbraw/zinc/43/82/88/588438288.db2.gz GFZYXGIQPBSUOE-JTQLQIEISA-N 2 1 212.297 -0.717 20 0 BBADMP C[N@H+]1CC[C@@](O)(CNC(=[NH2+])N2CCC2)C1 ZINC000849019074 588438313 /nfs/dbraw/zinc/43/83/13/588438313.db2.gz GFZYXGIQPBSUOE-SNVBAGLBSA-N 2 1 212.297 -0.717 20 0 BBADMP CCCCNC(=[NH2+])NC[C@]1(O)CC[N@@H+](C)C1 ZINC000849019211 588438217 /nfs/dbraw/zinc/43/82/17/588438217.db2.gz SDILETXRSQYZLX-LLVKDONJSA-N 2 1 228.340 -0.033 20 0 BBADMP CCCCNC(=[NH2+])NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000849019212 588438150 /nfs/dbraw/zinc/43/81/50/588438150.db2.gz SDILETXRSQYZLX-NSHDSACASA-N 2 1 228.340 -0.033 20 0 BBADMP C[N@H+]1CC[C@@](O)(CNC(=[NH2+])NC2CCC2)C1 ZINC000849019213 588438029 /nfs/dbraw/zinc/43/80/29/588438029.db2.gz SEGUJSROWXMIQW-LLVKDONJSA-N 2 1 226.324 -0.281 20 0 BBADMP C[N@H+]1CC[C@](O)(CNC(=[NH2+])NC2CCC2)C1 ZINC000849019214 588438038 /nfs/dbraw/zinc/43/80/38/588438038.db2.gz SEGUJSROWXMIQW-NSHDSACASA-N 2 1 226.324 -0.281 20 0 BBADMP COC[C@H](C)NC(=[NH2+])NC[C@]1(O)CC[N@@H+](C)C1 ZINC000849019229 588438054 /nfs/dbraw/zinc/43/80/54/588438054.db2.gz ULHXWNCXOIQHFN-GXSJLCMTSA-N 2 1 244.339 -0.798 20 0 BBADMP COC[C@@H](C)NC(=[NH2+])NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000849019230 588438297 /nfs/dbraw/zinc/43/82/97/588438297.db2.gz ULHXWNCXOIQHFN-KOLCDFICSA-N 2 1 244.339 -0.798 20 0 BBADMP COC[C@@H](C)NC(=[NH2+])NC[C@]1(O)CC[N@@H+](C)C1 ZINC000849019231 588438236 /nfs/dbraw/zinc/43/82/36/588438236.db2.gz ULHXWNCXOIQHFN-MWLCHTKSSA-N 2 1 244.339 -0.798 20 0 BBADMP COC[C@H](C)NC(=[NH2+])NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000849019232 588438280 /nfs/dbraw/zinc/43/82/80/588438280.db2.gz ULHXWNCXOIQHFN-ONGXEEELSA-N 2 1 244.339 -0.798 20 0 BBADMP CCN(CC)C(=[NH2+])NC[C@]1(O)CC[N@@H+](C)C1 ZINC000849019276 588438242 /nfs/dbraw/zinc/43/82/42/588438242.db2.gz YZAJAOBYVXQMTI-LLVKDONJSA-N 2 1 228.340 -0.081 20 0 BBADMP CCN(CC)C(=[NH2+])NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000849019277 588438326 /nfs/dbraw/zinc/43/83/26/588438326.db2.gz YZAJAOBYVXQMTI-NSHDSACASA-N 2 1 228.340 -0.081 20 0 BBADMP CCNC(=[NH2+])NCC[N@H+]1CCCOCC1 ZINC000849021011 588438909 /nfs/dbraw/zinc/43/89/09/588438909.db2.gz GBJBJMJJKOGXCD-UHFFFAOYSA-N 2 1 214.313 -0.157 20 0 BBADMP CCNC(=[NH2+])NCC[N@@H+]1CCCOCC1 ZINC000849021011 588438908 /nfs/dbraw/zinc/43/89/08/588438908.db2.gz GBJBJMJJKOGXCD-UHFFFAOYSA-N 2 1 214.313 -0.157 20 0 BBADMP CNC(=[NH2+])NCC[N@H+]1CCCOCC1 ZINC000849021112 588439079 /nfs/dbraw/zinc/43/90/79/588439079.db2.gz QSOYTHKLFPPTNQ-UHFFFAOYSA-N 2 1 200.286 -0.548 20 0 BBADMP CNC(=[NH2+])NCC[N@@H+]1CCCOCC1 ZINC000849021112 588439077 /nfs/dbraw/zinc/43/90/77/588439077.db2.gz QSOYTHKLFPPTNQ-UHFFFAOYSA-N 2 1 200.286 -0.548 20 0 BBADMP COCCNC(=[NH2+])NCC[N@H+]1CCCOCC1 ZINC000849021119 588439051 /nfs/dbraw/zinc/43/90/51/588439051.db2.gz RHNDOLUWZZYQPR-UHFFFAOYSA-N 2 1 244.339 -0.531 20 0 BBADMP COCCNC(=[NH2+])NCC[N@@H+]1CCCOCC1 ZINC000849021119 588439050 /nfs/dbraw/zinc/43/90/50/588439050.db2.gz RHNDOLUWZZYQPR-UHFFFAOYSA-N 2 1 244.339 -0.531 20 0 BBADMP C[C@@H]1C[N@@H+](CCCNC(N)=[NH2+])CCCO1 ZINC000849022482 588439447 /nfs/dbraw/zinc/43/94/47/588439447.db2.gz CZNDZJDMSQNILW-SECBINFHSA-N 2 1 214.313 -0.030 20 0 BBADMP C[C@H]1C[N@@H+](CCCNC(N)=[NH2+])CCCO1 ZINC000849022483 588439418 /nfs/dbraw/zinc/43/94/18/588439418.db2.gz CZNDZJDMSQNILW-VIFPVBQESA-N 2 1 214.313 -0.030 20 0 BBADMP [NH2+]=C(NCCF)NCCC[NH+]1CCOCC1 ZINC000849025473 588440193 /nfs/dbraw/zinc/44/01/93/588440193.db2.gz FGFFFTDQUMSZFQ-UHFFFAOYSA-N 2 1 232.303 -0.208 20 0 BBADMP CNC(=[NH2+])NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000849026891 588441039 /nfs/dbraw/zinc/44/10/39/588441039.db2.gz YNMVWQLLNVZOJG-UHFFFAOYSA-N 2 1 227.356 -0.244 20 0 BBADMP CN(C)CC[N@@H+](C)CCCNC(=[NH2+])N(C)C ZINC000849028132 588441602 /nfs/dbraw/zinc/44/16/02/588441602.db2.gz FZOFJTCMVXBCRB-UHFFFAOYSA-N 2 1 229.372 -0.044 20 0 BBADMP CN(C)CC[N@H+](C)CCCNC(=[NH2+])N(C)C ZINC000849028132 588441601 /nfs/dbraw/zinc/44/16/01/588441601.db2.gz FZOFJTCMVXBCRB-UHFFFAOYSA-N 2 1 229.372 -0.044 20 0 BBADMP CNC(=[NH2+])NCCC[N@@H+](C)CCN(C)C ZINC000849028349 588441400 /nfs/dbraw/zinc/44/14/00/588441400.db2.gz RUZZCXMOQMIMSV-UHFFFAOYSA-N 2 1 215.345 -0.386 20 0 BBADMP CNC(=[NH2+])NCCC[N@H+](C)CCN(C)C ZINC000849028349 588441399 /nfs/dbraw/zinc/44/13/99/588441399.db2.gz RUZZCXMOQMIMSV-UHFFFAOYSA-N 2 1 215.345 -0.386 20 0 BBADMP C[C@@H]1C[NH+]=C(NC[C@H]2CCC[N@H+]2CCCO)N1 ZINC000849033992 588444437 /nfs/dbraw/zinc/44/44/37/588444437.db2.gz HVUZRVFHTHPSDS-GHMZBOCLSA-N 2 1 240.351 -0.230 20 0 BBADMP C[C@@H]1C[NH+]=C(NC[C@@H]2CCC[N@H+]2CCCO)N1 ZINC000849033993 588444135 /nfs/dbraw/zinc/44/41/35/588444135.db2.gz HVUZRVFHTHPSDS-MNOVXSKESA-N 2 1 240.351 -0.230 20 0 BBADMP C[C@H]1C[NH+]=C(NC[C@@H]2CCC[N@H+]2CCCO)N1 ZINC000849033994 588444139 /nfs/dbraw/zinc/44/41/39/588444139.db2.gz HVUZRVFHTHPSDS-QWRGUYRKSA-N 2 1 240.351 -0.230 20 0 BBADMP C[C@H]1C[NH+]=C(NC[C@H]2CCC[N@H+]2CCCO)N1 ZINC000849033995 588444416 /nfs/dbraw/zinc/44/44/16/588444416.db2.gz HVUZRVFHTHPSDS-WDEREUQCSA-N 2 1 240.351 -0.230 20 0 BBADMP NC(=[NH2+])NC[C@H]1CCC[N@H+]1CCCO ZINC000849034068 588444285 /nfs/dbraw/zinc/44/42/85/588444285.db2.gz KBUIVDQYFCNVAL-MRVPVSSYSA-N 2 1 200.286 -0.684 20 0 BBADMP NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CCCO ZINC000849034069 588443842 /nfs/dbraw/zinc/44/38/42/588443842.db2.gz KBUIVDQYFCNVAL-QMMMGPOBSA-N 2 1 200.286 -0.684 20 0 BBADMP CCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CCCO ZINC000849034108 711599684 /nfs/dbraw/zinc/59/96/84/711599684.db2.gz LPOZVQHKYMQNPX-JTQLQIEISA-N 2 1 228.340 -0.033 20 0 BBADMP CCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CCCO ZINC000849034109 711599657 /nfs/dbraw/zinc/59/96/57/711599657.db2.gz LPOZVQHKYMQNPX-SNVBAGLBSA-N 2 1 228.340 -0.033 20 0 BBADMP CN1CC[NH+]=C1NC[C@H]1CCC[N@H+]1CCCO ZINC000849034328 588444190 /nfs/dbraw/zinc/44/41/90/588444190.db2.gz RTERHDZIWNEZKQ-LLVKDONJSA-N 2 1 240.351 -0.276 20 0 BBADMP CN1CC[NH+]=C1NC[C@@H]1CCC[N@H+]1CCCO ZINC000849034329 588444164 /nfs/dbraw/zinc/44/41/64/588444164.db2.gz RTERHDZIWNEZKQ-NSHDSACASA-N 2 1 240.351 -0.276 20 0 BBADMP CN(C)C(=[NH2+])NC[C@@H]1CCC[N@H+]1CCCO ZINC000849034419 588444093 /nfs/dbraw/zinc/44/40/93/588444093.db2.gz VFBLXJAVNGEPRN-JTQLQIEISA-N 2 1 228.340 -0.081 20 0 BBADMP CN(C)C(=[NH2+])NC[C@H]1CCC[N@H+]1CCCO ZINC000849034420 588444256 /nfs/dbraw/zinc/44/42/56/588444256.db2.gz VFBLXJAVNGEPRN-SNVBAGLBSA-N 2 1 228.340 -0.081 20 0 BBADMP CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CCCO ZINC000849034429 588444247 /nfs/dbraw/zinc/44/42/47/588444247.db2.gz VOUCQZSXVPBNBR-SECBINFHSA-N 2 1 214.313 -0.423 20 0 BBADMP CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CCCO ZINC000849034430 588444174 /nfs/dbraw/zinc/44/41/74/588444174.db2.gz VOUCQZSXVPBNBR-VIFPVBQESA-N 2 1 214.313 -0.423 20 0 BBADMP COCCNC(=[NH2+])NCC[NH+]1CCC(O)CC1 ZINC000849037768 588446119 /nfs/dbraw/zinc/44/61/19/588446119.db2.gz ASOJNYSBGVGVOE-UHFFFAOYSA-N 2 1 244.339 -0.797 20 0 BBADMP [NH2+]=C(NCC[NH+]1CCC(O)CC1)N1CCC1 ZINC000849038236 588446267 /nfs/dbraw/zinc/44/62/67/588446267.db2.gz LQESDYWLBCIIIF-UHFFFAOYSA-N 2 1 226.324 -0.327 20 0 BBADMP C[NH+](C)C1(CNC(=[NH2+])N2CCOCC2)CC1 ZINC000849043011 588448699 /nfs/dbraw/zinc/44/86/99/588448699.db2.gz CLCVOIOTFDQOQO-UHFFFAOYSA-N 2 1 226.324 -0.063 20 0 BBADMP COCCNC(=[NH2+])NCC1([NH+](C)C)CC1 ZINC000849043709 588449107 /nfs/dbraw/zinc/44/91/07/588449107.db2.gz RKUBGPDOUJCXSM-UHFFFAOYSA-N 2 1 214.313 -0.159 20 0 BBADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852536736 588689122 /nfs/dbraw/zinc/68/91/22/588689122.db2.gz HMQOATZAJBXIAP-RWMBFGLXSA-N 2 1 240.347 -0.100 20 0 BBADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852536736 588689121 /nfs/dbraw/zinc/68/91/21/588689121.db2.gz HMQOATZAJBXIAP-RWMBFGLXSA-N 2 1 240.347 -0.100 20 0 BBADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852536737 588689114 /nfs/dbraw/zinc/68/91/14/588689114.db2.gz HMQOATZAJBXIAP-YNEHKIRRSA-N 2 1 240.347 -0.100 20 0 BBADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852536737 588689113 /nfs/dbraw/zinc/68/91/13/588689113.db2.gz HMQOATZAJBXIAP-YNEHKIRRSA-N 2 1 240.347 -0.100 20 0 BBADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@H]2CNCCO2)C1 ZINC000852744198 588699119 /nfs/dbraw/zinc/69/91/19/588699119.db2.gz VEVNDMYVMHUIIC-GHMZBOCLSA-N 2 1 213.325 -0.355 20 0 BBADMP [NH3+]C[C@H]1CCC[N@H+](C[C@H]2CNCCO2)C1 ZINC000852744198 588699118 /nfs/dbraw/zinc/69/91/18/588699118.db2.gz VEVNDMYVMHUIIC-GHMZBOCLSA-N 2 1 213.325 -0.355 20 0 BBADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@@H]2CNCCO2)C1 ZINC000852744199 588699084 /nfs/dbraw/zinc/69/90/84/588699084.db2.gz VEVNDMYVMHUIIC-MNOVXSKESA-N 2 1 213.325 -0.355 20 0 BBADMP [NH3+]C[C@H]1CCC[N@H+](C[C@@H]2CNCCO2)C1 ZINC000852744199 588699083 /nfs/dbraw/zinc/69/90/83/588699083.db2.gz VEVNDMYVMHUIIC-MNOVXSKESA-N 2 1 213.325 -0.355 20 0 BBADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2CNCCO2)C1 ZINC000852744200 588699078 /nfs/dbraw/zinc/69/90/78/588699078.db2.gz VEVNDMYVMHUIIC-QWRGUYRKSA-N 2 1 213.325 -0.355 20 0 BBADMP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2CNCCO2)C1 ZINC000852744200 588699077 /nfs/dbraw/zinc/69/90/77/588699077.db2.gz VEVNDMYVMHUIIC-QWRGUYRKSA-N 2 1 213.325 -0.355 20 0 BBADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H]2CNCCO2)C1 ZINC000852744201 588699068 /nfs/dbraw/zinc/69/90/68/588699068.db2.gz VEVNDMYVMHUIIC-WDEREUQCSA-N 2 1 213.325 -0.355 20 0 BBADMP [NH3+]C[C@@H]1CCC[N@H+](C[C@H]2CNCCO2)C1 ZINC000852744201 588699067 /nfs/dbraw/zinc/69/90/67/588699067.db2.gz VEVNDMYVMHUIIC-WDEREUQCSA-N 2 1 213.325 -0.355 20 0 BBADMP Cn1c[nH+]cc1CCCN(CC[NH3+])CCO ZINC000852746801 588696974 /nfs/dbraw/zinc/69/69/74/588696974.db2.gz PZVSSHKUKKORPY-UHFFFAOYSA-N 2 1 226.324 -0.394 20 0 BBADMP COC(=O)[C@]1(F)CC[N@@H+](CCOCC[NH3+])C1 ZINC000852753473 645487980 /nfs/dbraw/zinc/48/79/80/645487980.db2.gz LADMWPYVAVYOLV-JTQLQIEISA-N 2 1 234.271 -0.451 20 0 BBADMP COC(=O)[C@]1(F)CC[N@H+](CCOCC[NH3+])C1 ZINC000852753473 645487976 /nfs/dbraw/zinc/48/79/76/645487976.db2.gz LADMWPYVAVYOLV-JTQLQIEISA-N 2 1 234.271 -0.451 20 0 BBADMP COC(=O)[C@@]1(F)CC[N@@H+](CCOCC[NH3+])C1 ZINC000852753474 645487987 /nfs/dbraw/zinc/48/79/87/645487987.db2.gz LADMWPYVAVYOLV-SNVBAGLBSA-N 2 1 234.271 -0.451 20 0 BBADMP COC(=O)[C@@]1(F)CC[N@H+](CCOCC[NH3+])C1 ZINC000852753474 645487983 /nfs/dbraw/zinc/48/79/83/645487983.db2.gz LADMWPYVAVYOLV-SNVBAGLBSA-N 2 1 234.271 -0.451 20 0 BBADMP [NH3+]CCOCC[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852753837 588700694 /nfs/dbraw/zinc/70/06/94/588700694.db2.gz JBWQIOAZBQNBEJ-UHFFFAOYSA-N 2 1 239.319 -0.169 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852755235 588700623 /nfs/dbraw/zinc/70/06/23/588700623.db2.gz IHJGKZSEMVNVMZ-JTQLQIEISA-N 2 1 243.307 -0.512 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852755236 588700551 /nfs/dbraw/zinc/70/05/51/588700551.db2.gz IHJGKZSEMVNVMZ-SNVBAGLBSA-N 2 1 243.307 -0.512 20 0 BBADMP [NH3+]CCC[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852755602 588700577 /nfs/dbraw/zinc/70/05/77/588700577.db2.gz VJFZZUMPOLWICQ-SECBINFHSA-N 2 1 213.281 -0.138 20 0 BBADMP [NH3+]CCC[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852755603 588700733 /nfs/dbraw/zinc/70/07/33/588700733.db2.gz VJFZZUMPOLWICQ-VIFPVBQESA-N 2 1 213.281 -0.138 20 0 BBADMP CC[NH+]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852856939 588708999 /nfs/dbraw/zinc/70/89/99/588708999.db2.gz YBLFYOPXIOGOLL-SECBINFHSA-N 2 1 240.307 -0.746 20 0 BBADMP CC[NH+]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852856940 588708984 /nfs/dbraw/zinc/70/89/84/588708984.db2.gz YBLFYOPXIOGOLL-VIFPVBQESA-N 2 1 240.307 -0.746 20 0 BBADMP C[N@H+]1CC[C@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852859022 588708884 /nfs/dbraw/zinc/70/88/84/588708884.db2.gz MGQDYYADEHKGJG-BDAKNGLRSA-N 2 1 240.307 -0.842 20 0 BBADMP C[N@H+]1CC[C@@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852859023 588708792 /nfs/dbraw/zinc/70/87/92/588708792.db2.gz MGQDYYADEHKGJG-DTWKUNHWSA-N 2 1 240.307 -0.842 20 0 BBADMP C[N@H+]1CC[C@@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852859024 588708938 /nfs/dbraw/zinc/70/89/38/588708938.db2.gz MGQDYYADEHKGJG-IUCAKERBSA-N 2 1 240.307 -0.842 20 0 BBADMP C[N@H+]1CC[C@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852859025 588708862 /nfs/dbraw/zinc/70/88/62/588708862.db2.gz MGQDYYADEHKGJG-RKDXNWHRSA-N 2 1 240.307 -0.842 20 0 BBADMP C[N@H+]1CCC[C@@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852861854 583021310 /nfs/dbraw/zinc/02/13/10/583021310.db2.gz LEPXIZQLYPABLD-RKDXNWHRSA-N 2 1 240.307 -0.700 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852862155 588709063 /nfs/dbraw/zinc/70/90/63/588709063.db2.gz VDJDTWCNQKEZHE-BDAKNGLRSA-N 2 1 240.307 -0.700 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852862156 588709221 /nfs/dbraw/zinc/70/92/21/588709221.db2.gz VDJDTWCNQKEZHE-DTWKUNHWSA-N 2 1 240.307 -0.700 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852862157 588709243 /nfs/dbraw/zinc/70/92/43/588709243.db2.gz VDJDTWCNQKEZHE-IUCAKERBSA-N 2 1 240.307 -0.700 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852862158 583021279 /nfs/dbraw/zinc/02/12/79/583021279.db2.gz VDJDTWCNQKEZHE-RKDXNWHRSA-N 2 1 240.307 -0.700 20 0 BBADMP C[N@@H+](CCNC(=O)C1=NO[C@@H](C[NH3+])C1)C1CC1 ZINC000852862884 588709048 /nfs/dbraw/zinc/70/90/48/588709048.db2.gz MGWAPOAGAVPKCY-SECBINFHSA-N 2 1 240.307 -0.700 20 0 BBADMP C[N@@H+](CCNC(=O)C1=NO[C@H](C[NH3+])C1)C1CC1 ZINC000852862885 588709084 /nfs/dbraw/zinc/70/90/84/588709084.db2.gz MGWAPOAGAVPKCY-VIFPVBQESA-N 2 1 240.307 -0.700 20 0 BBADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000852863956 588709282 /nfs/dbraw/zinc/70/92/82/588709282.db2.gz LYVXRCDSFOBLFN-AEJSXWLSSA-N 2 1 211.309 -0.066 20 0 BBADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000852863985 588709201 /nfs/dbraw/zinc/70/92/01/588709201.db2.gz LYVXRCDSFOBLFN-BBBLOLIVSA-N 2 1 211.309 -0.066 20 0 BBADMP CC(C)[N@@H+](C)CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852864602 588709550 /nfs/dbraw/zinc/70/95/50/588709550.db2.gz BHQGFAYWSPDSLR-SECBINFHSA-N 2 1 242.323 -0.454 20 0 BBADMP CC(C)[N@@H+](C)CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852864603 588709657 /nfs/dbraw/zinc/70/96/57/588709657.db2.gz BHQGFAYWSPDSLR-VIFPVBQESA-N 2 1 242.323 -0.454 20 0 BBADMP CC[N@@H+](CCNC(=O)C1(O)C[NH2+]C1)C(C)C ZINC000852864994 588709570 /nfs/dbraw/zinc/70/95/70/588709570.db2.gz OOKHMPHQQBIMGM-UHFFFAOYSA-N 2 1 229.324 -0.833 20 0 BBADMP C[N@H+]1CCCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852876335 588710460 /nfs/dbraw/zinc/71/04/60/588710460.db2.gz YSAOOVPNYBPUAK-SECBINFHSA-N 2 1 240.307 -0.746 20 0 BBADMP C[N@H+]1CCCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852876336 588710577 /nfs/dbraw/zinc/71/05/77/588710577.db2.gz YSAOOVPNYBPUAK-VIFPVBQESA-N 2 1 240.307 -0.746 20 0 BBADMP [NH3+]C1(CC(=O)N2CC[NH2+]C[C@@H]2C(F)F)CC1 ZINC000852881358 588711093 /nfs/dbraw/zinc/71/10/93/588711093.db2.gz VBDDIGUNJZGKSU-SSDOTTSWSA-N 2 1 233.262 -0.067 20 0 BBADMP [NH3+]C1(CC(=O)N2CC[NH2+]C[C@H]2C(F)F)CC1 ZINC000852881359 588711114 /nfs/dbraw/zinc/71/11/14/588711114.db2.gz VBDDIGUNJZGKSU-ZETCQYMHSA-N 2 1 233.262 -0.067 20 0 BBADMP [NH3+][C@H]1C[C@H](C(=O)N2CC[NH2+]C[C@@H]2C(F)F)C1 ZINC000852881515 588711111 /nfs/dbraw/zinc/71/11/11/588711111.db2.gz XMCOCRZYULMZKA-BWZBUEFSSA-N 2 1 233.262 -0.211 20 0 BBADMP [NH3+][C@H]1C[C@H](C(=O)N2CC[NH2+]C[C@H]2C(F)F)C1 ZINC000852881516 588710980 /nfs/dbraw/zinc/71/09/80/588710980.db2.gz XMCOCRZYULMZKA-FXQIFTODSA-N 2 1 233.262 -0.211 20 0 BBADMP C[C@H]([NH3+])CCNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000857110212 588889025 /nfs/dbraw/zinc/88/90/25/588889025.db2.gz RAOSBCTWSPCORC-GXSJLCMTSA-N 2 1 244.339 -0.911 20 0 BBADMP C[C@H]([NH3+])CCNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000857110213 588889069 /nfs/dbraw/zinc/88/90/69/588889069.db2.gz RAOSBCTWSPCORC-ONGXEEELSA-N 2 1 244.339 -0.911 20 0 BBADMP CC[N@@H+](CCO)CCNC(=O)NCC[C@H](C)[NH3+] ZINC000857110702 588889503 /nfs/dbraw/zinc/88/95/03/588889503.db2.gz URRMZCXXNVBAJZ-JTQLQIEISA-N 2 1 246.355 -0.663 20 0 BBADMP C[C@H]([NH3+])CCNC(=O)N1CC[NH+](C)CC1 ZINC000857114802 588890146 /nfs/dbraw/zinc/89/01/46/588890146.db2.gz XHOGEFYCSXRVRM-VIFPVBQESA-N 2 1 214.313 -0.319 20 0 BBADMP C[N@H+]1CC[C@@H]([NH2+]C(CO)CO)CC1(C)C ZINC000858146318 588935348 /nfs/dbraw/zinc/93/53/48/588935348.db2.gz CNXVLGDBLIINJQ-SECBINFHSA-N 2 1 216.325 -0.198 20 0 BBADMP C[N@@H+]1CC[C@@H]([NH2+]C(CO)CO)CC1(C)C ZINC000858146318 588935346 /nfs/dbraw/zinc/93/53/46/588935346.db2.gz CNXVLGDBLIINJQ-SECBINFHSA-N 2 1 216.325 -0.198 20 0 BBADMP C[N@H+]1CC[C@H]([NH2+]C(CO)CO)CC1(C)C ZINC000858146319 588935490 /nfs/dbraw/zinc/93/54/90/588935490.db2.gz CNXVLGDBLIINJQ-VIFPVBQESA-N 2 1 216.325 -0.198 20 0 BBADMP C[N@@H+]1CC[C@H]([NH2+]C(CO)CO)CC1(C)C ZINC000858146319 588935489 /nfs/dbraw/zinc/93/54/89/588935489.db2.gz CNXVLGDBLIINJQ-VIFPVBQESA-N 2 1 216.325 -0.198 20 0 BBADMP C[C@@H]1CCC[N@H+]1CCNc1nc(N)[nH+]c(N)n1 ZINC000858428142 588954007 /nfs/dbraw/zinc/95/40/07/588954007.db2.gz PLODWOVYUXWEFN-SSDOTTSWSA-N 2 1 237.311 -0.068 20 0 BBADMP C[C@H]1CCC[N@H+]1CCNc1nc(N)[nH+]c(N)n1 ZINC000858428143 588954054 /nfs/dbraw/zinc/95/40/54/588954054.db2.gz PLODWOVYUXWEFN-ZETCQYMHSA-N 2 1 237.311 -0.068 20 0 BBADMP OCc1cc(N2CC([N@H+]3CC[C@@H](O)C3)C2)cc[nH+]1 ZINC000858598016 588970033 /nfs/dbraw/zinc/97/00/33/588970033.db2.gz BHBMQDSVKZMTBU-CYBMUJFWSA-N 2 1 249.314 -0.171 20 0 BBADMP Cc1cc(NCC[N@H+]2CC[C@@H](O)C2)nc(N)[nH+]1 ZINC000858811561 588977013 /nfs/dbraw/zinc/97/70/13/588977013.db2.gz DGCJHUNCQZDTEY-SECBINFHSA-N 2 1 237.307 -0.154 20 0 BBADMP Cc1cc(NCC[N@H+]2CC[C@H](O)C2)nc(N)[nH+]1 ZINC000858866644 588980293 /nfs/dbraw/zinc/98/02/93/588980293.db2.gz DGCJHUNCQZDTEY-VIFPVBQESA-N 2 1 237.307 -0.154 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861572966 589168985 /nfs/dbraw/zinc/16/89/85/589168985.db2.gz ZRHIECLVSCOKSJ-JTQLQIEISA-N 2 1 246.355 -0.447 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861572967 589167594 /nfs/dbraw/zinc/16/75/94/589167594.db2.gz ZRHIECLVSCOKSJ-SNVBAGLBSA-N 2 1 246.355 -0.447 20 0 BBADMP C[C@H]([NH3+])CN(C)C(=O)NCC(F)(F)C[NH3+] ZINC000861642503 589172489 /nfs/dbraw/zinc/17/24/89/589172489.db2.gz ZRXLPZGOVLAKFN-LURJTMIESA-N 2 1 224.255 -0.431 20 0 BBADMP C[C@@H]([NH3+])CN(C)C(=O)NCC(F)(F)C[NH3+] ZINC000861642504 589172428 /nfs/dbraw/zinc/17/24/28/589172428.db2.gz ZRXLPZGOVLAKFN-ZCFIWIBFSA-N 2 1 224.255 -0.431 20 0 BBADMP C[C@@H](C[NH3+])NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000861642947 589172498 /nfs/dbraw/zinc/17/24/98/589172498.db2.gz LMBZRHUFOHKKBW-DTWKUNHWSA-N 2 1 214.313 -0.273 20 0 BBADMP C[C@@H](C[NH3+])NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000861642948 589172436 /nfs/dbraw/zinc/17/24/36/589172436.db2.gz LMBZRHUFOHKKBW-IUCAKERBSA-N 2 1 214.313 -0.273 20 0 BBADMP C[C@H]([NH3+])CCNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000861653421 589173389 /nfs/dbraw/zinc/17/33/89/589173389.db2.gz CWMUJOXJKIOFOI-UWVGGRQHSA-N 2 1 244.339 -0.911 20 0 BBADMP C[C@H]([NH3+])CCNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000861653422 589173420 /nfs/dbraw/zinc/17/34/20/589173420.db2.gz CWMUJOXJKIOFOI-VHSXEESVSA-N 2 1 244.339 -0.911 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)N(CC[NH3+])CCO ZINC000861662707 589173626 /nfs/dbraw/zinc/17/36/26/589173626.db2.gz DTQNPWWOIPNLMU-SNVBAGLBSA-N 2 1 244.339 -0.957 20 0 BBADMP C[NH2+]CCN(C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000861662710 589173567 /nfs/dbraw/zinc/17/35/67/589173567.db2.gz DYNJWMNKYLYOII-SNVBAGLBSA-N 2 1 228.340 -0.059 20 0 BBADMP C[N@H+]1CCC[C@H]1CNC(=O)N(CC[NH3+])CCO ZINC000861694685 589174936 /nfs/dbraw/zinc/17/49/36/589174936.db2.gz DTQNPWWOIPNLMU-JTQLQIEISA-N 2 1 244.339 -0.957 20 0 BBADMP C[NH2+]CCN(C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000861694694 589174992 /nfs/dbraw/zinc/17/49/92/589174992.db2.gz DYNJWMNKYLYOII-JTQLQIEISA-N 2 1 228.340 -0.059 20 0 BBADMP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000861910748 589183110 /nfs/dbraw/zinc/18/31/10/589183110.db2.gz WJNOBPACXUFXRT-NNYUYHANSA-N 2 1 237.347 -0.044 20 0 BBADMP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000861910749 589183291 /nfs/dbraw/zinc/18/32/91/589183291.db2.gz WJNOBPACXUFXRT-WYUUTHIRSA-N 2 1 237.347 -0.044 20 0 BBADMP CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000863548101 589298659 /nfs/dbraw/zinc/29/86/59/589298659.db2.gz NSFDBVLDDOIDAJ-HTQZYQBOSA-N 2 1 215.297 -0.408 20 0 BBADMP CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000863548250 589298608 /nfs/dbraw/zinc/29/86/08/589298608.db2.gz NSFDBVLDDOIDAJ-JGVFFNPUSA-N 2 1 215.297 -0.408 20 0 BBADMP CON(C)C(=O)[C@H](C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000863548254 589298259 /nfs/dbraw/zinc/29/82/59/589298259.db2.gz NSFDBVLDDOIDAJ-SFYZADRCSA-N 2 1 215.297 -0.408 20 0 BBADMP CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000863548257 589295826 /nfs/dbraw/zinc/29/58/26/589295826.db2.gz NSFDBVLDDOIDAJ-YUMQZZPRSA-N 2 1 215.297 -0.408 20 0 BBADMP C[C@@H]([NH3+])CN(C)CC[N@H+]1CCO[C@H](C)C1 ZINC000863567856 583992914 /nfs/dbraw/zinc/99/29/14/583992914.db2.gz HFSDLEAGWBAQRF-GHMZBOCLSA-N 2 1 215.341 -0.014 20 0 BBADMP C[C@@H]([NH3+])CN(C)CC[N@@H+]1CCO[C@H](C)C1 ZINC000863567856 583992912 /nfs/dbraw/zinc/99/29/12/583992912.db2.gz HFSDLEAGWBAQRF-GHMZBOCLSA-N 2 1 215.341 -0.014 20 0 BBADMP C[C@@H]([NH3+])CN(C)CC[N@H+]1CCO[C@@H](C)C1 ZINC000863567866 583992996 /nfs/dbraw/zinc/99/29/96/583992996.db2.gz HFSDLEAGWBAQRF-MNOVXSKESA-N 2 1 215.341 -0.014 20 0 BBADMP C[C@@H]([NH3+])CN(C)CC[N@@H+]1CCO[C@@H](C)C1 ZINC000863567866 583992995 /nfs/dbraw/zinc/99/29/95/583992995.db2.gz HFSDLEAGWBAQRF-MNOVXSKESA-N 2 1 215.341 -0.014 20 0 BBADMP C[C@H]([NH3+])CN(C)CC[N@H+]1CCO[C@@H](C)C1 ZINC000863567868 583992955 /nfs/dbraw/zinc/99/29/55/583992955.db2.gz HFSDLEAGWBAQRF-QWRGUYRKSA-N 2 1 215.341 -0.014 20 0 BBADMP C[C@H]([NH3+])CN(C)CC[N@@H+]1CCO[C@@H](C)C1 ZINC000863567868 583992954 /nfs/dbraw/zinc/99/29/54/583992954.db2.gz HFSDLEAGWBAQRF-QWRGUYRKSA-N 2 1 215.341 -0.014 20 0 BBADMP C[C@H]([NH3+])CN(C)CC[N@H+]1CCO[C@H](C)C1 ZINC000863567886 583992964 /nfs/dbraw/zinc/99/29/64/583992964.db2.gz HFSDLEAGWBAQRF-WDEREUQCSA-N 2 1 215.341 -0.014 20 0 BBADMP C[C@H]([NH3+])CN(C)CC[N@@H+]1CCO[C@H](C)C1 ZINC000863567886 583992963 /nfs/dbraw/zinc/99/29/63/583992963.db2.gz HFSDLEAGWBAQRF-WDEREUQCSA-N 2 1 215.341 -0.014 20 0 BBADMP C[C@H]([NH3+])C[N@@H+](C)CC1(O)CCOCC1 ZINC000863568416 589296084 /nfs/dbraw/zinc/29/60/84/589296084.db2.gz LFPFSEOXAUKPBK-VIFPVBQESA-N 2 1 202.298 -0.193 20 0 BBADMP C[C@H]([NH3+])C[N@H+](C)CC1(O)CCOCC1 ZINC000863568416 589296083 /nfs/dbraw/zinc/29/60/83/589296083.db2.gz LFPFSEOXAUKPBK-VIFPVBQESA-N 2 1 202.298 -0.193 20 0 BBADMP C[C@@H]([NH3+])CN(C)[C@H](C)C[NH+]1CCOCC1 ZINC000863568691 589300152 /nfs/dbraw/zinc/30/01/52/589300152.db2.gz NTLIBBNPOHPZGS-GHMZBOCLSA-N 2 1 215.341 -0.014 20 0 BBADMP C[C@@H]([NH3+])CN(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000863568692 589300361 /nfs/dbraw/zinc/30/03/61/589300361.db2.gz NTLIBBNPOHPZGS-MNOVXSKESA-N 2 1 215.341 -0.014 20 0 BBADMP C[C@H]([NH3+])CN(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000863568693 589299956 /nfs/dbraw/zinc/29/99/56/589299956.db2.gz NTLIBBNPOHPZGS-QWRGUYRKSA-N 2 1 215.341 -0.014 20 0 BBADMP C[C@H](C[NH+]1CCOCC1)N(C)C[C@H](C)[NH3+] ZINC000863568694 589299822 /nfs/dbraw/zinc/29/98/22/589299822.db2.gz NTLIBBNPOHPZGS-WDEREUQCSA-N 2 1 215.341 -0.014 20 0 BBADMP CCS(=O)(=O)NCCC[N@@H+](C)C[C@@H](C)[NH3+] ZINC000863569609 589295812 /nfs/dbraw/zinc/29/58/12/589295812.db2.gz YRRKJHWCKDFBJN-SECBINFHSA-N 2 1 237.369 -0.405 20 0 BBADMP CCS(=O)(=O)NCCC[N@H+](C)C[C@@H](C)[NH3+] ZINC000863569609 589295811 /nfs/dbraw/zinc/29/58/11/589295811.db2.gz YRRKJHWCKDFBJN-SECBINFHSA-N 2 1 237.369 -0.405 20 0 BBADMP CCS(=O)(=O)NCCC[N@@H+](C)C[C@H](C)[NH3+] ZINC000863569614 589295641 /nfs/dbraw/zinc/29/56/41/589295641.db2.gz YRRKJHWCKDFBJN-VIFPVBQESA-N 2 1 237.369 -0.405 20 0 BBADMP CCS(=O)(=O)NCCC[N@H+](C)C[C@H](C)[NH3+] ZINC000863569614 589295639 /nfs/dbraw/zinc/29/56/39/589295639.db2.gz YRRKJHWCKDFBJN-VIFPVBQESA-N 2 1 237.369 -0.405 20 0 BBADMP C[C@@H](N)C[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000863652387 589307743 /nfs/dbraw/zinc/30/77/43/589307743.db2.gz SKAZVICNBMXAKE-GHMZBOCLSA-N 2 1 242.367 -0.537 20 0 BBADMP C[C@@H](N)C[N@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000863652387 589307741 /nfs/dbraw/zinc/30/77/41/589307741.db2.gz SKAZVICNBMXAKE-GHMZBOCLSA-N 2 1 242.367 -0.537 20 0 BBADMP C[C@@H](N)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000863652389 589307469 /nfs/dbraw/zinc/30/74/69/589307469.db2.gz SKAZVICNBMXAKE-MNOVXSKESA-N 2 1 242.367 -0.537 20 0 BBADMP C[C@@H](N)C[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000863652389 589307467 /nfs/dbraw/zinc/30/74/67/589307467.db2.gz SKAZVICNBMXAKE-MNOVXSKESA-N 2 1 242.367 -0.537 20 0 BBADMP C[C@H](N)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000863652390 589307734 /nfs/dbraw/zinc/30/77/34/589307734.db2.gz SKAZVICNBMXAKE-QWRGUYRKSA-N 2 1 242.367 -0.537 20 0 BBADMP C[C@H](N)C[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000863652390 589307732 /nfs/dbraw/zinc/30/77/32/589307732.db2.gz SKAZVICNBMXAKE-QWRGUYRKSA-N 2 1 242.367 -0.537 20 0 BBADMP C[C@H](N)C[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000863652391 589307332 /nfs/dbraw/zinc/30/73/32/589307332.db2.gz SKAZVICNBMXAKE-WDEREUQCSA-N 2 1 242.367 -0.537 20 0 BBADMP C[C@H](N)C[N@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000863652391 589307330 /nfs/dbraw/zinc/30/73/30/589307330.db2.gz SKAZVICNBMXAKE-WDEREUQCSA-N 2 1 242.367 -0.537 20 0 BBADMP CC(C)(O)C[N@H+]1CC[C@H](NC(N)=[NH2+])C1 ZINC000864357956 589355541 /nfs/dbraw/zinc/35/55/41/589355541.db2.gz BKRBHEHVMDZANK-ZETCQYMHSA-N 2 1 200.286 -0.685 20 0 BBADMP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCN1C ZINC000864457684 589367663 /nfs/dbraw/zinc/36/76/63/589367663.db2.gz GKVHSJCDLYOGPA-GMTAPVOTSA-N 2 1 239.367 -0.245 20 0 BBADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCN1C ZINC000864457693 589367894 /nfs/dbraw/zinc/36/78/94/589367894.db2.gz GKVHSJCDLYOGPA-MXWKQRLJSA-N 2 1 239.367 -0.245 20 0 BBADMP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@H]1C[N@@H+](C)CCN1C ZINC000864457695 589367844 /nfs/dbraw/zinc/36/78/44/589367844.db2.gz GKVHSJCDLYOGPA-OUAUKWLOSA-N 2 1 239.367 -0.245 20 0 BBADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@H]1C[N@@H+](C)CCN1C ZINC000864457696 636766861 /nfs/dbraw/zinc/76/68/61/636766861.db2.gz GKVHSJCDLYOGPA-VWYCJHECSA-N 2 1 239.367 -0.245 20 0 BBADMP C[N@H+]1CC[C@@](O)(CNC(=[NH2+])NCCC2CC2)C1 ZINC000864462995 589369422 /nfs/dbraw/zinc/36/94/22/589369422.db2.gz CEZRGDQDCOZUKN-GFCCVEGCSA-N 2 1 240.351 -0.033 20 0 BBADMP C[N@H+]1CC[C@](O)(CNC(=[NH2+])NCCC2CC2)C1 ZINC000864463132 589369459 /nfs/dbraw/zinc/36/94/59/589369459.db2.gz CEZRGDQDCOZUKN-LBPRGKRZSA-N 2 1 240.351 -0.033 20 0 BBADMP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@]1(O)CC[N@@H+](C)C1 ZINC000864463194 589369712 /nfs/dbraw/zinc/36/97/12/589369712.db2.gz DQXOZXQFMLBGNQ-FXPVBKGRSA-N 2 1 226.324 -0.425 20 0 BBADMP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000864463203 589369803 /nfs/dbraw/zinc/36/98/03/589369803.db2.gz DQXOZXQFMLBGNQ-KKZNHRDASA-N 2 1 226.324 -0.425 20 0 BBADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@]1(O)CC[N@@H+](C)C1 ZINC000864463204 589369650 /nfs/dbraw/zinc/36/96/50/589369650.db2.gz DQXOZXQFMLBGNQ-WCABBAIRSA-N 2 1 226.324 -0.425 20 0 BBADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000864463205 589369757 /nfs/dbraw/zinc/36/97/57/589369757.db2.gz DQXOZXQFMLBGNQ-YWVKMMECSA-N 2 1 226.324 -0.425 20 0 BBADMP C[C@H]1C[C@H]1NC(=[NH2+])NCC[NH+]1CCC(O)CC1 ZINC000864465767 589370967 /nfs/dbraw/zinc/37/09/67/589370967.db2.gz CNMNIOGWEPXFAM-GXSJLCMTSA-N 2 1 240.351 -0.035 20 0 BBADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC[NH+]1CCC(O)CC1 ZINC000864465768 589370882 /nfs/dbraw/zinc/37/08/82/589370882.db2.gz CNMNIOGWEPXFAM-KOLCDFICSA-N 2 1 240.351 -0.035 20 0 BBADMP C[C@@H]1C[C@H]1NC(=[NH2+])NCC[NH+]1CCC(O)CC1 ZINC000864465769 589370922 /nfs/dbraw/zinc/37/09/22/589370922.db2.gz CNMNIOGWEPXFAM-MWLCHTKSSA-N 2 1 240.351 -0.035 20 0 BBADMP C[C@H]1C[C@@H]1NC(=[NH2+])NCC[NH+]1CCC(O)CC1 ZINC000864465770 589371020 /nfs/dbraw/zinc/37/10/20/589371020.db2.gz CNMNIOGWEPXFAM-ONGXEEELSA-N 2 1 240.351 -0.035 20 0 BBADMP [NH3+]CCn1cc(CCC[NH+]2CCOCC2)nn1 ZINC000864621070 589384302 /nfs/dbraw/zinc/38/43/02/589384302.db2.gz BOTJNNHPZBFPNN-UHFFFAOYSA-N 2 1 239.323 -0.498 20 0 BBADMP C[C@@H](O)[C@H](O)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000865739574 589460170 /nfs/dbraw/zinc/46/01/70/589460170.db2.gz SDEUDIIAKMABEP-BXKDBHETSA-N 2 1 239.319 -0.021 20 0 BBADMP C[C@H](O)[C@@H](O)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000865739575 589460188 /nfs/dbraw/zinc/46/01/88/589460188.db2.gz SDEUDIIAKMABEP-CABZTGNLSA-N 2 1 239.319 -0.021 20 0 BBADMP C[C@H](O)[C@H](O)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000865739576 589460209 /nfs/dbraw/zinc/46/02/09/589460209.db2.gz SDEUDIIAKMABEP-JOYOIKCWSA-N 2 1 239.319 -0.021 20 0 BBADMP C[C@@H](O)[C@@H](O)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000865739577 589459999 /nfs/dbraw/zinc/45/99/99/589459999.db2.gz SDEUDIIAKMABEP-SKDRFNHKSA-N 2 1 239.319 -0.021 20 0 BBADMP C[N@H+]1CC[C@@H]2CN(c3nc(N)[nH+]c(N)n3)CC[C@H]21 ZINC000866209806 589480380 /nfs/dbraw/zinc/48/03/80/589480380.db2.gz VHWIWVOLAAFVEA-HTQZYQBOSA-N 2 1 249.322 -0.434 20 0 BBADMP C[N@H+]1CC[C@H]2CN(c3nc(N)[nH+]c(N)n3)CC[C@H]21 ZINC000866209807 589480541 /nfs/dbraw/zinc/48/05/41/589480541.db2.gz VHWIWVOLAAFVEA-JGVFFNPUSA-N 2 1 249.322 -0.434 20 0 BBADMP C[N@H+]1CC[C@@H]2CN(c3nc(N)[nH+]c(N)n3)CC[C@@H]21 ZINC000866209808 589480463 /nfs/dbraw/zinc/48/04/63/589480463.db2.gz VHWIWVOLAAFVEA-SFYZADRCSA-N 2 1 249.322 -0.434 20 0 BBADMP C[N@H+]1CC[C@H]2CN(c3nc(N)[nH+]c(N)n3)CC[C@@H]21 ZINC000866209809 589480732 /nfs/dbraw/zinc/48/07/32/589480732.db2.gz VHWIWVOLAAFVEA-YUMQZZPRSA-N 2 1 249.322 -0.434 20 0 BBADMP Cn1nnnc1CC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000866659006 589508212 /nfs/dbraw/zinc/50/82/12/589508212.db2.gz FYUABLAIPPQIAD-SECBINFHSA-N 2 1 224.312 -0.577 20 0 BBADMP Cn1nnnc1CC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000866659007 589507831 /nfs/dbraw/zinc/50/78/31/589507831.db2.gz FYUABLAIPPQIAD-VIFPVBQESA-N 2 1 224.312 -0.577 20 0 BBADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2nnnn2C)C1 ZINC000866659856 589508386 /nfs/dbraw/zinc/50/83/86/589508386.db2.gz WBJPNCDOPQIUQM-NXEZZACHSA-N 2 1 238.339 -0.188 20 0 BBADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCc2nnnn2C)C1 ZINC000866659857 589508269 /nfs/dbraw/zinc/50/82/69/589508269.db2.gz WBJPNCDOPQIUQM-UWVGGRQHSA-N 2 1 238.339 -0.188 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2nnnn2C)C1 ZINC000866659858 589508245 /nfs/dbraw/zinc/50/82/45/589508245.db2.gz WBJPNCDOPQIUQM-VHSXEESVSA-N 2 1 238.339 -0.188 20 0 BBADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCc2nnnn2C)C1 ZINC000866659859 589508165 /nfs/dbraw/zinc/50/81/65/589508165.db2.gz WBJPNCDOPQIUQM-ZJUUUORDSA-N 2 1 238.339 -0.188 20 0 BBADMP Cn1nnnc1CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000866660251 589508365 /nfs/dbraw/zinc/50/83/65/589508365.db2.gz HCBJHQPJELJSHR-LLVKDONJSA-N 2 1 236.323 -0.562 20 0 BBADMP Cn1nnnc1CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000866660251 589508363 /nfs/dbraw/zinc/50/83/63/589508363.db2.gz HCBJHQPJELJSHR-LLVKDONJSA-N 2 1 236.323 -0.562 20 0 BBADMP Cn1nnnc1CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000866660253 589507879 /nfs/dbraw/zinc/50/78/79/589507879.db2.gz HCBJHQPJELJSHR-NSHDSACASA-N 2 1 236.323 -0.562 20 0 BBADMP Cn1nnnc1CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000866660253 589507877 /nfs/dbraw/zinc/50/78/77/589507877.db2.gz HCBJHQPJELJSHR-NSHDSACASA-N 2 1 236.323 -0.562 20 0 BBADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCc1nnnn1C ZINC000866660476 589508183 /nfs/dbraw/zinc/50/81/83/589508183.db2.gz GAXVZMOPDCAKJT-JTQLQIEISA-N 2 1 226.328 -0.284 20 0 BBADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCc1nnnn1C ZINC000866660481 589508287 /nfs/dbraw/zinc/50/82/87/589508287.db2.gz GAXVZMOPDCAKJT-SNVBAGLBSA-N 2 1 226.328 -0.284 20 0 BBADMP Cn1nnnc1CC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000866661010 589508940 /nfs/dbraw/zinc/50/89/40/589508940.db2.gz KIFIOPOSUCLATG-UHFFFAOYSA-N 2 1 226.328 -0.331 20 0 BBADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCc2nnnn2C)C1 ZINC000866661819 589509087 /nfs/dbraw/zinc/50/90/87/589509087.db2.gz LSEHGEAJYXESEB-JTQLQIEISA-N 2 1 238.339 -0.316 20 0 BBADMP C[NH2+]C[C@@H]1CCC[N@H+](CCc2nnnn2C)C1 ZINC000866661819 589509085 /nfs/dbraw/zinc/50/90/85/589509085.db2.gz LSEHGEAJYXESEB-JTQLQIEISA-N 2 1 238.339 -0.316 20 0 BBADMP C[NH2+]C[C@H]1CCC[N@@H+](CCc2nnnn2C)C1 ZINC000866661821 589508802 /nfs/dbraw/zinc/50/88/02/589508802.db2.gz LSEHGEAJYXESEB-SNVBAGLBSA-N 2 1 238.339 -0.316 20 0 BBADMP C[NH2+]C[C@H]1CCC[N@H+](CCc2nnnn2C)C1 ZINC000866661821 589508801 /nfs/dbraw/zinc/50/88/01/589508801.db2.gz LSEHGEAJYXESEB-SNVBAGLBSA-N 2 1 238.339 -0.316 20 0 BBADMP Cn1nnnc1CC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000866662103 589509036 /nfs/dbraw/zinc/50/90/36/589509036.db2.gz XGVOUYMFHJISCB-UHFFFAOYSA-N 2 1 238.339 -0.046 20 0 BBADMP CC[C@@H]1C[N@@H+](CCc2nnnn2C)CC[C@H]1[NH3+] ZINC000866663459 584121679 /nfs/dbraw/zinc/12/16/79/584121679.db2.gz GQZLHKNPVDDRFY-NXEZZACHSA-N 2 1 238.339 -0.188 20 0 BBADMP CC[C@H]1C[N@@H+](CCc2nnnn2C)CC[C@@H]1[NH3+] ZINC000866663460 584121674 /nfs/dbraw/zinc/12/16/74/584121674.db2.gz GQZLHKNPVDDRFY-UWVGGRQHSA-N 2 1 238.339 -0.188 20 0 BBADMP CC[C@H]1C[N@@H+](CCc2nnnn2C)CC[C@H]1[NH3+] ZINC000866663461 584121648 /nfs/dbraw/zinc/12/16/48/584121648.db2.gz GQZLHKNPVDDRFY-VHSXEESVSA-N 2 1 238.339 -0.188 20 0 BBADMP CC[C@@H]1C[N@@H+](CCc2nnnn2C)CC[C@@H]1[NH3+] ZINC000866663462 584121640 /nfs/dbraw/zinc/12/16/40/584121640.db2.gz GQZLHKNPVDDRFY-ZJUUUORDSA-N 2 1 238.339 -0.188 20 0 BBADMP Cn1nnnc1CC[NH+]1CCC(C)([NH3+])CC1 ZINC000866663463 584121525 /nfs/dbraw/zinc/12/15/25/584121525.db2.gz GRNYVWMTTSASRJ-UHFFFAOYSA-N 2 1 224.312 -0.434 20 0 BBADMP Cn1nnnc1CC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000866664583 589509561 /nfs/dbraw/zinc/50/95/61/589509561.db2.gz HFCQKCJSHKPDBV-JTQLQIEISA-N 2 1 238.339 -0.187 20 0 BBADMP Cn1nnnc1CC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000866664584 589509666 /nfs/dbraw/zinc/50/96/66/589509666.db2.gz HFCQKCJSHKPDBV-SNVBAGLBSA-N 2 1 238.339 -0.187 20 0 BBADMP Cn1nnnc1CC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000866664687 589509626 /nfs/dbraw/zinc/50/96/26/589509626.db2.gz JXFWORIWCZSYFY-JTQLQIEISA-N 2 1 224.312 -0.577 20 0 BBADMP Cn1nnnc1CC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000866664688 589509912 /nfs/dbraw/zinc/50/99/12/589509912.db2.gz JXFWORIWCZSYFY-SNVBAGLBSA-N 2 1 224.312 -0.577 20 0 BBADMP Cn1nnnc1CC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000866665586 589509643 /nfs/dbraw/zinc/50/96/43/589509643.db2.gz FKYOZHYLZITNHL-MRVPVSSYSA-N 2 1 226.328 -0.284 20 0 BBADMP Cn1nnnc1CC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000866665588 589509858 /nfs/dbraw/zinc/50/98/58/589509858.db2.gz FKYOZHYLZITNHL-QMMMGPOBSA-N 2 1 226.328 -0.284 20 0 BBADMP Cn1nnnc1CC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000866665710 589509429 /nfs/dbraw/zinc/50/94/29/589509429.db2.gz ZRCGAKCGIGWIFX-JTQLQIEISA-N 2 1 238.339 -0.044 20 0 BBADMP Cn1nnnc1CC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000866665712 589509275 /nfs/dbraw/zinc/50/92/75/589509275.db2.gz ZRCGAKCGIGWIFX-SNVBAGLBSA-N 2 1 238.339 -0.044 20 0 BBADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCc1nnnn1C ZINC000866665955 589509604 /nfs/dbraw/zinc/50/96/04/589509604.db2.gz JENIYHXDBRGBHZ-FXPVBKGRSA-N 2 1 238.339 -0.271 20 0 BBADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCc1nnnn1C ZINC000866665956 589509908 /nfs/dbraw/zinc/50/99/08/589509908.db2.gz JENIYHXDBRGBHZ-KKZNHRDASA-N 2 1 238.339 -0.271 20 0 BBADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCc1nnnn1C ZINC000866665957 589509597 /nfs/dbraw/zinc/50/95/97/589509597.db2.gz JENIYHXDBRGBHZ-WCABBAIRSA-N 2 1 238.339 -0.271 20 0 BBADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCc1nnnn1C ZINC000866665958 589509678 /nfs/dbraw/zinc/50/96/78/589509678.db2.gz JENIYHXDBRGBHZ-YWVKMMECSA-N 2 1 238.339 -0.271 20 0 BBADMP C[C@@H]1CC[N@@H+](CCc2nnnn2C)C[C@H]1C[NH3+] ZINC000866666027 589509423 /nfs/dbraw/zinc/50/94/23/589509423.db2.gz KUVSUOHBZBNNEB-NXEZZACHSA-N 2 1 238.339 -0.331 20 0 BBADMP C[C@H]1CC[N@@H+](CCc2nnnn2C)C[C@@H]1C[NH3+] ZINC000866666028 589509485 /nfs/dbraw/zinc/50/94/85/589509485.db2.gz KUVSUOHBZBNNEB-UWVGGRQHSA-N 2 1 238.339 -0.331 20 0 BBADMP C[C@H]1CC[N@@H+](CCc2nnnn2C)C[C@H]1C[NH3+] ZINC000866666029 589509475 /nfs/dbraw/zinc/50/94/75/589509475.db2.gz KUVSUOHBZBNNEB-VHSXEESVSA-N 2 1 238.339 -0.331 20 0 BBADMP C[C@@H]1CC[N@@H+](CCc2nnnn2C)C[C@@H]1C[NH3+] ZINC000866666030 589509516 /nfs/dbraw/zinc/50/95/16/589509516.db2.gz KUVSUOHBZBNNEB-ZJUUUORDSA-N 2 1 238.339 -0.331 20 0 BBADMP Cn1nnnc1CC[N@@H+](C)C1CC([NH3+])C1 ZINC000866666570 589509872 /nfs/dbraw/zinc/50/98/72/589509872.db2.gz UUKPRTJMWMQWAW-UHFFFAOYSA-N 2 1 210.285 -0.826 20 0 BBADMP Cn1nnnc1CC[N@H+](C)C1CC([NH3+])C1 ZINC000866666570 589509870 /nfs/dbraw/zinc/50/98/70/589509870.db2.gz UUKPRTJMWMQWAW-UHFFFAOYSA-N 2 1 210.285 -0.826 20 0 BBADMP C[NH2+]CCC[N@@H+](C)CCc1nnnn1C ZINC000866666740 589509308 /nfs/dbraw/zinc/50/93/08/589509308.db2.gz VWDLUZHWVLGSJN-UHFFFAOYSA-N 2 1 212.301 -0.706 20 0 BBADMP C[NH2+]CCC[N@H+](C)CCc1nnnn1C ZINC000866666740 589509306 /nfs/dbraw/zinc/50/93/06/589509306.db2.gz VWDLUZHWVLGSJN-UHFFFAOYSA-N 2 1 212.301 -0.706 20 0 BBADMP Cn1nnnc1CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000866666908 589509534 /nfs/dbraw/zinc/50/95/34/589509534.db2.gz YQABIYZSQCQIQC-NXEZZACHSA-N 2 1 236.323 -0.564 20 0 BBADMP Cn1nnnc1CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000866666908 589509533 /nfs/dbraw/zinc/50/95/33/589509533.db2.gz YQABIYZSQCQIQC-NXEZZACHSA-N 2 1 236.323 -0.564 20 0 BBADMP Cn1nnnc1CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000866666910 589509265 /nfs/dbraw/zinc/50/92/65/589509265.db2.gz YQABIYZSQCQIQC-UWVGGRQHSA-N 2 1 236.323 -0.564 20 0 BBADMP Cn1nnnc1CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000866666910 589509262 /nfs/dbraw/zinc/50/92/62/589509262.db2.gz YQABIYZSQCQIQC-UWVGGRQHSA-N 2 1 236.323 -0.564 20 0 BBADMP Cn1nnnc1CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000866666911 589509461 /nfs/dbraw/zinc/50/94/61/589509461.db2.gz YQABIYZSQCQIQC-VHSXEESVSA-N 2 1 236.323 -0.564 20 0 BBADMP Cn1nnnc1CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000866666911 589509460 /nfs/dbraw/zinc/50/94/60/589509460.db2.gz YQABIYZSQCQIQC-VHSXEESVSA-N 2 1 236.323 -0.564 20 0 BBADMP Cn1nnnc1CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000866666913 589509283 /nfs/dbraw/zinc/50/92/83/589509283.db2.gz YQABIYZSQCQIQC-ZJUUUORDSA-N 2 1 236.323 -0.564 20 0 BBADMP Cn1nnnc1CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000866666913 589509281 /nfs/dbraw/zinc/50/92/81/589509281.db2.gz YQABIYZSQCQIQC-ZJUUUORDSA-N 2 1 236.323 -0.564 20 0 BBADMP C[C@@H]1C[N@@H+](CCc2nnnn2C)C[C@H]1C[NH3+] ZINC000866672568 589510873 /nfs/dbraw/zinc/51/08/73/589510873.db2.gz OBSGXOSLAVLIKG-RKDXNWHRSA-N 2 1 224.312 -0.721 20 0 BBADMP C[NH2+]CCC[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000866700927 589513135 /nfs/dbraw/zinc/51/31/35/589513135.db2.gz CLPTYHQRDUKGAT-DTORHVGOSA-N 2 1 225.292 -0.858 20 0 BBADMP CN1C(=O)[C@H]2C[N@@H+](C[C@@H]3CC[NH2+]C3)C[C@H]2C1=O ZINC000866701876 589513875 /nfs/dbraw/zinc/51/38/75/589513875.db2.gz PXJBTARKEYHAPZ-BBBLOLIVSA-N 2 1 237.303 -0.858 20 0 BBADMP CN1C(=O)[C@H]2C[N@@H+](C[C@H]3CC[NH2+]C3)C[C@H]2C1=O ZINC000866701877 589514045 /nfs/dbraw/zinc/51/40/45/589514045.db2.gz PXJBTARKEYHAPZ-LPEHRKFASA-N 2 1 237.303 -0.858 20 0 BBADMP [NH3+]CCCCCC[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000866702566 589513323 /nfs/dbraw/zinc/51/33/23/589513323.db2.gz CUHCWXBUHMKPJW-MNOVXSKESA-N 2 1 216.325 -0.067 20 0 BBADMP O[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@@H]1O ZINC000866702675 589513543 /nfs/dbraw/zinc/51/35/43/589513543.db2.gz FADOREFIUSMOMF-AXFHLTTASA-N 2 1 214.309 -0.587 20 0 BBADMP O[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@@H]1O ZINC000866702682 589513378 /nfs/dbraw/zinc/51/33/78/589513378.db2.gz FADOREFIUSMOMF-MXWKQRLJSA-N 2 1 214.309 -0.587 20 0 BBADMP CC1(C)C[C@@H](O)C[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000866703336 589513668 /nfs/dbraw/zinc/51/36/68/589513668.db2.gz LNYYACVSFJZORR-GFCCVEGCSA-N 2 1 241.379 -0.016 20 0 BBADMP CC1(C)C[C@H](O)C[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000866703337 589513317 /nfs/dbraw/zinc/51/33/17/589513317.db2.gz LNYYACVSFJZORR-LBPRGKRZSA-N 2 1 241.379 -0.016 20 0 BBADMP O[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H]1O ZINC000866703433 589513488 /nfs/dbraw/zinc/51/34/88/589513488.db2.gz MEKRXUXAZZEPRJ-AXFHLTTASA-N 2 1 214.309 -0.587 20 0 BBADMP O[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@@H]1O ZINC000866703434 589513959 /nfs/dbraw/zinc/51/39/59/589513959.db2.gz MEKRXUXAZZEPRJ-MXWKQRLJSA-N 2 1 214.309 -0.587 20 0 BBADMP O[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C[C@@H]1O ZINC000866704129 589513643 /nfs/dbraw/zinc/51/36/43/589513643.db2.gz RCGHAPRRHKGGNQ-NEPJUHHUSA-N 2 1 228.336 -0.196 20 0 BBADMP C[NH2+]C[C@](C)(O)CN1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866704286 589514028 /nfs/dbraw/zinc/51/40/28/589514028.db2.gz SQGIWAYAEVDFLS-AGIUHOORSA-N 2 1 241.379 -0.017 20 0 BBADMP C[NH2+]C[C@](C)(O)CN1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866704289 636931977 /nfs/dbraw/zinc/93/19/77/636931977.db2.gz SQGIWAYAEVDFLS-AVGNSLFASA-N 2 1 241.379 -0.017 20 0 BBADMP C[NH2+]C[C@](C)(O)CN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000866704293 636932386 /nfs/dbraw/zinc/93/23/86/636932386.db2.gz SQGIWAYAEVDFLS-UPJWGTAASA-N 2 1 241.379 -0.017 20 0 BBADMP C[NH2+]C[C@](C)(O)CN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866704299 636932352 /nfs/dbraw/zinc/93/23/52/636932352.db2.gz SQGIWAYAEVDFLS-XQQFMLRXSA-N 2 1 241.379 -0.017 20 0 BBADMP O[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C[C@@H]1O ZINC000866704616 589513925 /nfs/dbraw/zinc/51/39/25/589513925.db2.gz WMSBNYOTMDKNEH-MNOVXSKESA-N 2 1 214.309 -0.587 20 0 BBADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOCC[NH3+])CC[C@@H]21 ZINC000866704775 589513554 /nfs/dbraw/zinc/51/35/54/589513554.db2.gz XSPNOXBEHSCOHK-NEPJUHHUSA-N 3 1 227.352 -0.012 20 0 BBADMP C[NH+]1CC[C@@H]2C[N@H+](CCOCC[NH3+])CC[C@@H]21 ZINC000866704775 589513553 /nfs/dbraw/zinc/51/35/53/589513553.db2.gz XSPNOXBEHSCOHK-NEPJUHHUSA-N 3 1 227.352 -0.012 20 0 BBADMP C[N@H+]1CC[C@@H]2C[NH+](CCOCC[NH3+])CC[C@@H]21 ZINC000866704775 589513552 /nfs/dbraw/zinc/51/35/52/589513552.db2.gz XSPNOXBEHSCOHK-NEPJUHHUSA-N 3 1 227.352 -0.012 20 0 BBADMP C[N@@H+]1CC[C@@H]2C[NH+](CCOCC[NH3+])CC[C@@H]21 ZINC000866704775 589513551 /nfs/dbraw/zinc/51/35/51/589513551.db2.gz XSPNOXBEHSCOHK-NEPJUHHUSA-N 3 1 227.352 -0.012 20 0 BBADMP C[N@H+]1CC[C@@H]2CN(CCOCC[NH3+])CC[C@@H]21 ZINC000866704775 589513550 /nfs/dbraw/zinc/51/35/50/589513550.db2.gz XSPNOXBEHSCOHK-NEPJUHHUSA-N 2 1 227.352 -0.012 20 0 BBADMP C[NH+]1CC[C@H]2C[N@@H+](CCOCC[NH3+])CC[C@H]21 ZINC000866704776 589514415 /nfs/dbraw/zinc/51/44/15/589514415.db2.gz XSPNOXBEHSCOHK-NWDGAFQWSA-N 3 1 227.352 -0.012 20 0 BBADMP C[NH+]1CC[C@H]2C[N@H+](CCOCC[NH3+])CC[C@H]21 ZINC000866704776 589514414 /nfs/dbraw/zinc/51/44/14/589514414.db2.gz XSPNOXBEHSCOHK-NWDGAFQWSA-N 3 1 227.352 -0.012 20 0 BBADMP C[N@H+]1CC[C@H]2C[NH+](CCOCC[NH3+])CC[C@H]21 ZINC000866704776 589514413 /nfs/dbraw/zinc/51/44/13/589514413.db2.gz XSPNOXBEHSCOHK-NWDGAFQWSA-N 3 1 227.352 -0.012 20 0 BBADMP C[N@@H+]1CC[C@H]2C[NH+](CCOCC[NH3+])CC[C@H]21 ZINC000866704776 589514412 /nfs/dbraw/zinc/51/44/12/589514412.db2.gz XSPNOXBEHSCOHK-NWDGAFQWSA-N 3 1 227.352 -0.012 20 0 BBADMP C[N@H+]1CC[C@H]2CN(CCOCC[NH3+])CC[C@H]21 ZINC000866704776 589514411 /nfs/dbraw/zinc/51/44/11/589514411.db2.gz XSPNOXBEHSCOHK-NWDGAFQWSA-N 2 1 227.352 -0.012 20 0 BBADMP C[NH+]1CC[C@H]2C[N@@H+](CCOCC[NH3+])CC[C@@H]21 ZINC000866704778 589514384 /nfs/dbraw/zinc/51/43/84/589514384.db2.gz XSPNOXBEHSCOHK-RYUDHWBXSA-N 3 1 227.352 -0.012 20 0 BBADMP C[NH+]1CC[C@H]2C[N@H+](CCOCC[NH3+])CC[C@@H]21 ZINC000866704778 589514383 /nfs/dbraw/zinc/51/43/83/589514383.db2.gz XSPNOXBEHSCOHK-RYUDHWBXSA-N 3 1 227.352 -0.012 20 0 BBADMP C[N@H+]1CC[C@H]2C[NH+](CCOCC[NH3+])CC[C@@H]21 ZINC000866704778 589514382 /nfs/dbraw/zinc/51/43/82/589514382.db2.gz XSPNOXBEHSCOHK-RYUDHWBXSA-N 3 1 227.352 -0.012 20 0 BBADMP C[N@@H+]1CC[C@H]2C[NH+](CCOCC[NH3+])CC[C@@H]21 ZINC000866704778 589514381 /nfs/dbraw/zinc/51/43/81/589514381.db2.gz XSPNOXBEHSCOHK-RYUDHWBXSA-N 3 1 227.352 -0.012 20 0 BBADMP C[N@H+]1CC[C@H]2CN(CCOCC[NH3+])CC[C@@H]21 ZINC000866704778 589514380 /nfs/dbraw/zinc/51/43/80/589514380.db2.gz XSPNOXBEHSCOHK-RYUDHWBXSA-N 2 1 227.352 -0.012 20 0 BBADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOCC[NH3+])CC[C@H]21 ZINC000866704780 589514446 /nfs/dbraw/zinc/51/44/46/589514446.db2.gz XSPNOXBEHSCOHK-VXGBXAGGSA-N 3 1 227.352 -0.012 20 0 BBADMP C[NH+]1CC[C@@H]2C[N@H+](CCOCC[NH3+])CC[C@H]21 ZINC000866704780 589514445 /nfs/dbraw/zinc/51/44/45/589514445.db2.gz XSPNOXBEHSCOHK-VXGBXAGGSA-N 3 1 227.352 -0.012 20 0 BBADMP C[N@H+]1CC[C@@H]2C[NH+](CCOCC[NH3+])CC[C@H]21 ZINC000866704780 589514444 /nfs/dbraw/zinc/51/44/44/589514444.db2.gz XSPNOXBEHSCOHK-VXGBXAGGSA-N 3 1 227.352 -0.012 20 0 BBADMP C[N@@H+]1CC[C@@H]2C[NH+](CCOCC[NH3+])CC[C@H]21 ZINC000866704780 589514443 /nfs/dbraw/zinc/51/44/43/589514443.db2.gz XSPNOXBEHSCOHK-VXGBXAGGSA-N 3 1 227.352 -0.012 20 0 BBADMP C[N@H+]1CC[C@@H]2CN(CCOCC[NH3+])CC[C@H]21 ZINC000866704780 589514442 /nfs/dbraw/zinc/51/44/42/589514442.db2.gz XSPNOXBEHSCOHK-VXGBXAGGSA-N 2 1 227.352 -0.012 20 0 BBADMP O[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H]1O ZINC000866704794 589513505 /nfs/dbraw/zinc/51/35/05/589513505.db2.gz XXZGYIZOHVDTGG-TUAOUCFPSA-N 2 1 228.336 -0.196 20 0 BBADMP O[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H]1O ZINC000866704795 589513444 /nfs/dbraw/zinc/51/34/44/589513444.db2.gz XXZGYIZOHVDTGG-UTUOFQBUSA-N 2 1 228.336 -0.196 20 0 BBADMP CC[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710332 589514685 /nfs/dbraw/zinc/51/46/85/589514685.db2.gz YOIANKFHMPELBG-AEJSXWLSSA-N 2 1 225.292 -0.127 20 0 BBADMP CC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710333 589514398 /nfs/dbraw/zinc/51/43/98/589514398.db2.gz YOIANKFHMPELBG-BBBLOLIVSA-N 2 1 225.292 -0.127 20 0 BBADMP C[C@@H](C[NH3+])NS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000866757418 589517710 /nfs/dbraw/zinc/51/77/10/589517710.db2.gz TUQLEUCIMRWHGU-QMMMGPOBSA-N 2 1 235.353 -0.653 20 0 BBADMP C[NH2+]CCN(C)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000866759373 589517929 /nfs/dbraw/zinc/51/79/29/589517929.db2.gz CDCWYHOTMHERJQ-UHFFFAOYSA-N 2 1 249.380 -0.438 20 0 BBADMP C[C@@H]([NH3+])CN(C)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000866780424 589518565 /nfs/dbraw/zinc/51/85/65/589518565.db2.gz CSFKVVHKRRGDSN-SECBINFHSA-N 2 1 249.380 -0.311 20 0 BBADMP C[C@H]([NH3+])CN(C)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000866780425 589518152 /nfs/dbraw/zinc/51/81/52/589518152.db2.gz CSFKVVHKRRGDSN-VIFPVBQESA-N 2 1 249.380 -0.311 20 0 BBADMP C[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000869781767 589629845 /nfs/dbraw/zinc/62/98/45/589629845.db2.gz XGSJHQRJWDVBRL-JTQLQIEISA-N 2 1 243.351 -0.491 20 0 BBADMP C[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869781767 589629844 /nfs/dbraw/zinc/62/98/44/589629844.db2.gz XGSJHQRJWDVBRL-JTQLQIEISA-N 2 1 243.351 -0.491 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870940711 589699631 /nfs/dbraw/zinc/69/96/31/589699631.db2.gz LRGVSDJETJATCO-FJXKBIBVSA-N 2 1 233.262 -0.176 20 0 BBADMP [NH3+]CC(F)(F)CC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870963760 589701940 /nfs/dbraw/zinc/70/19/40/589701940.db2.gz RLYPSGYVIIAXOE-KNVOCYPGSA-N 2 1 221.251 -0.176 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000870966859 589702603 /nfs/dbraw/zinc/70/26/03/589702603.db2.gz WNBRVHFAYXWHGX-AXFHLTTASA-N 2 1 241.335 -0.439 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000870966859 589702602 /nfs/dbraw/zinc/70/26/02/589702602.db2.gz WNBRVHFAYXWHGX-AXFHLTTASA-N 2 1 241.335 -0.439 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000870966860 589702860 /nfs/dbraw/zinc/70/28/60/589702860.db2.gz WNBRVHFAYXWHGX-OUAUKWLOSA-N 2 1 241.335 -0.439 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000870966860 589702858 /nfs/dbraw/zinc/70/28/58/589702858.db2.gz WNBRVHFAYXWHGX-OUAUKWLOSA-N 2 1 241.335 -0.439 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000870972212 589703725 /nfs/dbraw/zinc/70/37/25/589703725.db2.gz WNBRVHFAYXWHGX-DCAQKATOSA-N 2 1 241.335 -0.439 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000870972212 589703724 /nfs/dbraw/zinc/70/37/24/589703724.db2.gz WNBRVHFAYXWHGX-DCAQKATOSA-N 2 1 241.335 -0.439 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000870972213 589703769 /nfs/dbraw/zinc/70/37/69/589703769.db2.gz WNBRVHFAYXWHGX-GMTAPVOTSA-N 2 1 241.335 -0.439 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000870972213 589703768 /nfs/dbraw/zinc/70/37/68/589703768.db2.gz WNBRVHFAYXWHGX-GMTAPVOTSA-N 2 1 241.335 -0.439 20 0 BBADMP [NH3+]CC(F)(F)CC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870972717 589703610 /nfs/dbraw/zinc/70/36/10/589703610.db2.gz RLYPSGYVIIAXOE-LJGSYFOKSA-N 2 1 221.251 -0.176 20 0 BBADMP COC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870980864 589704800 /nfs/dbraw/zinc/70/48/00/589704800.db2.gz DEEFDGUSNYDNAM-DCAQKATOSA-N 2 1 241.335 -0.487 20 0 BBADMP COC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870980865 589704579 /nfs/dbraw/zinc/70/45/79/589704579.db2.gz DEEFDGUSNYDNAM-GARJFASQSA-N 2 1 241.335 -0.487 20 0 BBADMP COC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000870980866 589704656 /nfs/dbraw/zinc/70/46/56/589704656.db2.gz DEEFDGUSNYDNAM-OUAUKWLOSA-N 2 1 241.335 -0.487 20 0 BBADMP COC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000870980867 589704598 /nfs/dbraw/zinc/70/45/98/589704598.db2.gz DEEFDGUSNYDNAM-VWYCJHECSA-N 2 1 241.335 -0.487 20 0 BBADMP C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000870980893 589704705 /nfs/dbraw/zinc/70/47/05/589704705.db2.gz DRBLVMGZJUCQFZ-AEJSXWLSSA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000870980894 589704846 /nfs/dbraw/zinc/70/48/46/589704846.db2.gz DRBLVMGZJUCQFZ-BBBLOLIVSA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870980895 589704411 /nfs/dbraw/zinc/70/44/11/589704411.db2.gz DRBLVMGZJUCQFZ-GUBZILKMSA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000870980896 589704457 /nfs/dbraw/zinc/70/44/57/589704457.db2.gz DRBLVMGZJUCQFZ-IVZWLZJFSA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870980897 589704636 /nfs/dbraw/zinc/70/46/36/589704636.db2.gz DRBLVMGZJUCQFZ-KXUCPTDWSA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870980898 589702667 /nfs/dbraw/zinc/70/26/67/589702667.db2.gz DRBLVMGZJUCQFZ-LPEHRKFASA-N 2 1 211.309 -0.114 20 0 BBADMP C[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH3+])CC[C@H]21 ZINC000870981235 583932783 /nfs/dbraw/zinc/93/27/83/583932783.db2.gz GPKSZSLZMKQJMT-GHMZBOCLSA-N 2 1 241.335 -0.486 20 0 BBADMP C[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH3+])CC[C@@H]21 ZINC000870981236 583932762 /nfs/dbraw/zinc/93/27/62/583932762.db2.gz GPKSZSLZMKQJMT-MNOVXSKESA-N 2 1 241.335 -0.486 20 0 BBADMP C[N@H+]1CC[C@H]2CN(C(=O)COCC[NH3+])CC[C@@H]21 ZINC000870981237 583932760 /nfs/dbraw/zinc/93/27/60/583932760.db2.gz GPKSZSLZMKQJMT-QWRGUYRKSA-N 2 1 241.335 -0.486 20 0 BBADMP C[N@H+]1CC[C@H]2CN(C(=O)COCC[NH3+])CC[C@H]21 ZINC000870981238 583932758 /nfs/dbraw/zinc/93/27/58/583932758.db2.gz GPKSZSLZMKQJMT-WDEREUQCSA-N 2 1 241.335 -0.486 20 0 BBADMP C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH3+])CC[C@H]21 ZINC000870982156 583932901 /nfs/dbraw/zinc/93/29/01/583932901.db2.gz LROCZHSDLQQNHK-NXEZZACHSA-N 2 1 211.309 -0.112 20 0 BBADMP C[N@H+]1CC[C@H]2CN(C(=O)CC[NH3+])CC[C@@H]21 ZINC000870982164 583932919 /nfs/dbraw/zinc/93/29/19/583932919.db2.gz LROCZHSDLQQNHK-UWVGGRQHSA-N 2 1 211.309 -0.112 20 0 BBADMP C[N@H+]1CC[C@H]2CN(C(=O)CC[NH3+])CC[C@H]21 ZINC000870982167 583932957 /nfs/dbraw/zinc/93/29/57/583932957.db2.gz LROCZHSDLQQNHK-VHSXEESVSA-N 2 1 211.309 -0.112 20 0 BBADMP C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH3+])CC[C@@H]21 ZINC000870982170 583932923 /nfs/dbraw/zinc/93/29/23/583932923.db2.gz LROCZHSDLQQNHK-ZJUUUORDSA-N 2 1 211.309 -0.112 20 0 BBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC[C@H]21 ZINC000870982296 589705261 /nfs/dbraw/zinc/70/52/61/589705261.db2.gz MIMVNNRORZVGJZ-CHWFTXMASA-N 2 1 223.320 -0.114 20 0 BBADMP C[N@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC[C@@H]21 ZINC000870982298 589705125 /nfs/dbraw/zinc/70/51/25/589705125.db2.gz MIMVNNRORZVGJZ-VLEAKVRGSA-N 2 1 223.320 -0.114 20 0 BBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC[C@@H]21 ZINC000870982299 589705622 /nfs/dbraw/zinc/70/56/22/589705622.db2.gz MIMVNNRORZVGJZ-ZNSHCXBVSA-N 2 1 223.320 -0.114 20 0 BBADMP C[N@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC[C@H]21 ZINC000870982301 589705394 /nfs/dbraw/zinc/70/53/94/589705394.db2.gz MIMVNNRORZVGJZ-ZRUFSTJUSA-N 2 1 223.320 -0.114 20 0 BBADMP C[NH2+]CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000870983243 589705349 /nfs/dbraw/zinc/70/53/49/589705349.db2.gz TZHIKZRZXNZZEG-NXEZZACHSA-N 2 1 211.309 -0.242 20 0 BBADMP C[NH2+]CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870983244 589705515 /nfs/dbraw/zinc/70/55/15/589705515.db2.gz TZHIKZRZXNZZEG-UWVGGRQHSA-N 2 1 211.309 -0.242 20 0 BBADMP C[NH2+]CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870983245 589704141 /nfs/dbraw/zinc/70/41/41/589704141.db2.gz TZHIKZRZXNZZEG-VHSXEESVSA-N 2 1 211.309 -0.242 20 0 BBADMP C[NH2+]CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000870983246 589704167 /nfs/dbraw/zinc/70/41/67/589704167.db2.gz TZHIKZRZXNZZEG-ZJUUUORDSA-N 2 1 211.309 -0.242 20 0 BBADMP C[N@H+]1CC[C@H]2CN(C(=O)[C@H]3CC[NH2+]3)CC[C@@H]21 ZINC000870983598 636398631 /nfs/dbraw/zinc/39/86/31/636398631.db2.gz WWMCJKNJXXJBKK-AXFHLTTASA-N 2 1 223.320 -0.099 20 0 BBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH2+]3)CC[C@H]21 ZINC000870983600 636398781 /nfs/dbraw/zinc/39/87/81/636398781.db2.gz WWMCJKNJXXJBKK-GMTAPVOTSA-N 2 1 223.320 -0.099 20 0 BBADMP C[N@H+]1CC[C@H]2CN(C(=O)[C@H]3CC[NH2+]3)CC[C@H]21 ZINC000870983601 583933433 /nfs/dbraw/zinc/93/34/33/583933433.db2.gz WWMCJKNJXXJBKK-HBNTYKKESA-N 2 1 223.320 -0.099 20 0 BBADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH2+]3)CC[C@@H]21 ZINC000870983603 583933422 /nfs/dbraw/zinc/93/34/22/583933422.db2.gz WWMCJKNJXXJBKK-MXWKQRLJSA-N 2 1 223.320 -0.099 20 0 BBADMP COCCN(C)C(=[NH2+])NC[C@]1(O)CC[N@@H+](C)C1 ZINC000871606873 589769729 /nfs/dbraw/zinc/76/97/29/589769729.db2.gz YEAXJSJGIBCAKW-LLVKDONJSA-N 2 1 244.339 -0.844 20 0 BBADMP COCCN(C)C(=[NH2+])NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000871606874 589769370 /nfs/dbraw/zinc/76/93/70/589769370.db2.gz YEAXJSJGIBCAKW-NSHDSACASA-N 2 1 244.339 -0.844 20 0 BBADMP CC(C)(O)C[C@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000871975634 589850540 /nfs/dbraw/zinc/85/05/40/589850540.db2.gz NMIIIUXVNFGKSA-AXFHLTTASA-N 2 1 228.336 -0.341 20 0 BBADMP CC(C)(O)C[C@@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000871975743 589850845 /nfs/dbraw/zinc/85/08/45/589850845.db2.gz NMIIIUXVNFGKSA-OUAUKWLOSA-N 2 1 228.336 -0.341 20 0 BBADMP CO[C@H]1C[C@@H](C[N@@H+](CC[NH3+])CCO)C1 ZINC000872143483 589883537 /nfs/dbraw/zinc/88/35/37/589883537.db2.gz NSHPLCUIASETLE-AOOOYVTPSA-N 2 1 202.298 -0.336 20 0 BBADMP CO[C@H]1C[C@@H](C[N@H+](CC[NH3+])CCO)C1 ZINC000872143483 589883535 /nfs/dbraw/zinc/88/35/35/589883535.db2.gz NSHPLCUIASETLE-AOOOYVTPSA-N 2 1 202.298 -0.336 20 0 BBADMP C[NH2+]CCC[NH+]1CCC(c2nnnn2C)CC1 ZINC000872146297 589885429 /nfs/dbraw/zinc/88/54/29/589885429.db2.gz KFKHBBOOHAXFPJ-UHFFFAOYSA-N 2 1 238.339 -0.001 20 0 BBADMP C[NH2+]CCC[NH+]1CCC(CO)(CO)CC1 ZINC000872146398 589884871 /nfs/dbraw/zinc/88/48/71/589884871.db2.gz MXNYIOSYCGLQDV-UHFFFAOYSA-N 2 1 216.325 -0.337 20 0 BBADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCOCC[NH3+])C2 ZINC000872153518 589885048 /nfs/dbraw/zinc/88/50/48/589885048.db2.gz BQCNJFLDDBBGDY-WDEREUQCSA-N 3 1 213.325 -0.497 20 0 BBADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCOCC[NH3+])C2 ZINC000872153518 589885046 /nfs/dbraw/zinc/88/50/46/589885046.db2.gz BQCNJFLDDBBGDY-WDEREUQCSA-N 3 1 213.325 -0.497 20 0 BBADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC000872153565 589885034 /nfs/dbraw/zinc/88/50/34/589885034.db2.gz DZAIKWMIZFGTJE-QWHCGFSZSA-N 3 1 238.379 -0.567 20 0 BBADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCN1CC[NH2+]CC1)C2 ZINC000872153565 589885032 /nfs/dbraw/zinc/88/50/32/589885032.db2.gz DZAIKWMIZFGTJE-QWHCGFSZSA-N 3 1 238.379 -0.567 20 0 BBADMP Cn1nnnc1CC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153649 589885245 /nfs/dbraw/zinc/88/52/45/589885245.db2.gz GCMCGHWPISKMOX-GXSJLCMTSA-N 2 1 236.323 -0.706 20 0 BBADMP Cn1nnnc1CC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153649 589885243 /nfs/dbraw/zinc/88/52/43/589885243.db2.gz GCMCGHWPISKMOX-GXSJLCMTSA-N 2 1 236.323 -0.706 20 0 BBADMP [NH3+]CCOCC[N@H+]1CCNC(=O)CC12CCC2 ZINC000872158209 589885960 /nfs/dbraw/zinc/88/59/60/589885960.db2.gz ZWXUWPAXWUOEBH-UHFFFAOYSA-N 2 1 241.335 -0.294 20 0 BBADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCOC[C@H]1O)C1CC1 ZINC000872252511 589900472 /nfs/dbraw/zinc/90/04/72/589900472.db2.gz FOHUJCNLXJWOKK-QJPTWQEYSA-N 2 1 244.335 -0.819 20 0 BBADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCOC[C@H]1O)C1CC1 ZINC000872252511 589900471 /nfs/dbraw/zinc/90/04/71/589900471.db2.gz FOHUJCNLXJWOKK-QJPTWQEYSA-N 2 1 244.335 -0.819 20 0 BBADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2c1nc(N)[nH+]c(N)n1 ZINC000872778296 589968767 /nfs/dbraw/zinc/96/87/67/589968767.db2.gz FTLHGWJPRHUMGJ-HTQZYQBOSA-N 2 1 249.322 -0.291 20 0 BBADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2c1nc(N)[nH+]c(N)n1 ZINC000872778297 589968959 /nfs/dbraw/zinc/96/89/59/589968959.db2.gz FTLHGWJPRHUMGJ-JGVFFNPUSA-N 2 1 249.322 -0.291 20 0 BBADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2c1nc(N)[nH+]c(N)n1 ZINC000872778298 589968709 /nfs/dbraw/zinc/96/87/09/589968709.db2.gz FTLHGWJPRHUMGJ-SFYZADRCSA-N 2 1 249.322 -0.291 20 0 BBADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2c1nc(N)[nH+]c(N)n1 ZINC000872778299 589968870 /nfs/dbraw/zinc/96/88/70/589968870.db2.gz FTLHGWJPRHUMGJ-YUMQZZPRSA-N 2 1 249.322 -0.291 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)Cc1cnc(N)cn1 ZINC000873212401 589996089 /nfs/dbraw/zinc/99/60/89/589996089.db2.gz LKGVPUVFRGKWOH-UHFFFAOYSA-N 2 1 239.323 -0.273 20 0 BBADMP C[NH2+]CCOCC[N@H+](C)Cc1cnc(N)cn1 ZINC000873212401 589996088 /nfs/dbraw/zinc/99/60/88/589996088.db2.gz LKGVPUVFRGKWOH-UHFFFAOYSA-N 2 1 239.323 -0.273 20 0 BBADMP C[N@@H+](CCOCC[NH3+])Cc1cnc(N)cn1 ZINC000873212759 589996935 /nfs/dbraw/zinc/99/69/35/589996935.db2.gz RNFZARNLNBBQQH-UHFFFAOYSA-N 2 1 225.296 -0.534 20 0 BBADMP C[N@H+](CCOCC[NH3+])Cc1cnc(N)cn1 ZINC000873212759 589996932 /nfs/dbraw/zinc/99/69/32/589996932.db2.gz RNFZARNLNBBQQH-UHFFFAOYSA-N 2 1 225.296 -0.534 20 0 BBADMP CN1C(=O)[C@H]2C[N@@H+](CC(C)(C)[NH3+])C[C@H]2C1=O ZINC000873219739 589999046 /nfs/dbraw/zinc/99/90/46/589999046.db2.gz NEWIRLGMZBELAM-OCAPTIKFSA-N 2 1 225.292 -0.730 20 0 BBADMP CN1C(=O)[C@H]2C[N@H+](CC(C)(C)[NH3+])C[C@H]2C1=O ZINC000873219739 589999045 /nfs/dbraw/zinc/99/90/45/589999045.db2.gz NEWIRLGMZBELAM-OCAPTIKFSA-N 2 1 225.292 -0.730 20 0 BBADMP CN1C(=O)[C@H]2C[N@@H+](CC34CC(C3)C[NH2+]4)C[C@H]2C1=O ZINC000873220189 589999010 /nfs/dbraw/zinc/99/90/10/589999010.db2.gz QQWYQEYUBAGCOE-PTNFSGFOSA-N 2 1 249.314 -0.715 20 0 BBADMP CN1C(=O)[C@H]2C[N@H+](CC34CC(C3)C[NH2+]4)C[C@H]2C1=O ZINC000873220189 589999009 /nfs/dbraw/zinc/99/90/09/589999009.db2.gz QQWYQEYUBAGCOE-PTNFSGFOSA-N 2 1 249.314 -0.715 20 0 BBADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](O)[C@@H](O)C2)CC[NH2+]1 ZINC000873221271 589999941 /nfs/dbraw/zinc/99/99/41/589999941.db2.gz IIRIVZZLZHJOFP-KKOKHZNYSA-N 2 1 228.336 -0.198 20 0 BBADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](O)[C@@H](O)C2)CC[NH2+]1 ZINC000873221272 589999897 /nfs/dbraw/zinc/99/98/97/589999897.db2.gz IIRIVZZLZHJOFP-KXNHARMFSA-N 2 1 228.336 -0.198 20 0 BBADMP C[C@H]1C[C@H](C[N@H+]2CC[C@@H](O)[C@@H](O)C2)CC[NH2+]1 ZINC000873221273 589999957 /nfs/dbraw/zinc/99/99/57/589999957.db2.gz IIRIVZZLZHJOFP-QCNOEVLYSA-N 2 1 228.336 -0.198 20 0 BBADMP C[C@H]1C[C@@H](C[N@H+]2CC[C@@H](O)[C@@H](O)C2)CC[NH2+]1 ZINC000873221274 589999838 /nfs/dbraw/zinc/99/98/38/589999838.db2.gz IIRIVZZLZHJOFP-YFKTTZPYSA-N 2 1 228.336 -0.198 20 0 BBADMP C[C@@]1(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)CC[NH2+]C1 ZINC000873221951 589999382 /nfs/dbraw/zinc/99/93/82/589999382.db2.gz UYDZIHOKLMPXAH-OUAUKWLOSA-N 2 1 214.309 -0.587 20 0 BBADMP C[C@@]1(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)CC[NH2+]C1 ZINC000873221951 589999381 /nfs/dbraw/zinc/99/93/81/589999381.db2.gz UYDZIHOKLMPXAH-OUAUKWLOSA-N 2 1 214.309 -0.587 20 0 BBADMP C[C@]1(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)CC[NH2+]C1 ZINC000873221952 589999548 /nfs/dbraw/zinc/99/95/48/589999548.db2.gz UYDZIHOKLMPXAH-VWYCJHECSA-N 2 1 214.309 -0.587 20 0 BBADMP C[C@]1(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)CC[NH2+]C1 ZINC000873221952 589999547 /nfs/dbraw/zinc/99/95/47/589999547.db2.gz UYDZIHOKLMPXAH-VWYCJHECSA-N 2 1 214.309 -0.587 20 0 BBADMP COCC[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC000874299502 590102773 /nfs/dbraw/zinc/10/27/73/590102773.db2.gz WSESVDATFPYYDS-UHFFFAOYSA-N 2 1 243.351 -0.223 20 0 BBADMP CCCC[N@@H+](C)CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000876747147 590237113 /nfs/dbraw/zinc/23/71/13/590237113.db2.gz XDAAZHKFJPJNMJ-NSHDSACASA-N 2 1 244.383 -0.277 20 0 BBADMP CC[N@@H+](CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+])C(C)C ZINC000876749652 590237510 /nfs/dbraw/zinc/23/75/10/590237510.db2.gz PJTGLMPMVSWSKD-WDEREUQCSA-N 2 1 243.351 -0.051 20 0 BBADMP CC[N@@H+](CCNC(=O)[C@@H](N)C[NH+](C)C)C(C)C ZINC000876750843 590237938 /nfs/dbraw/zinc/23/79/38/590237938.db2.gz YLMNZOMBQCJMED-NSHDSACASA-N 2 1 244.383 -0.278 20 0 BBADMP C[C@H]1C[C@H](NC(=O)[C@@H](N)C[NH+](C)C)CC[N@H+]1C ZINC000876765147 590239717 /nfs/dbraw/zinc/23/97/17/590239717.db2.gz TZEVTVXZGFEHGX-AXFHLTTASA-N 2 1 242.367 -0.526 20 0 BBADMP C[C@H]1C[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)CC[N@H+]1C ZINC000876765148 590239429 /nfs/dbraw/zinc/23/94/29/590239429.db2.gz TZEVTVXZGFEHGX-DCAQKATOSA-N 2 1 242.367 -0.526 20 0 BBADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876773730 590239384 /nfs/dbraw/zinc/23/93/84/590239384.db2.gz WKUPPQRSJRTPJN-MNOVXSKESA-N 2 1 242.367 -0.667 20 0 BBADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876773731 590239599 /nfs/dbraw/zinc/23/95/99/590239599.db2.gz WKUPPQRSJRTPJN-QWRGUYRKSA-N 2 1 242.367 -0.667 20 0 BBADMP C[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1C ZINC000876790997 590241298 /nfs/dbraw/zinc/24/12/98/590241298.db2.gz BOWSUAZFKFWZOV-UHFFFAOYSA-N 2 1 210.281 -0.131 20 0 BBADMP C[NH2+]CCN(C)C(=O)Cn1c[nH+]cc1C ZINC000876791273 590241381 /nfs/dbraw/zinc/24/13/81/590241381.db2.gz HXCAVRLUXJZHJS-UHFFFAOYSA-N 2 1 210.281 -0.131 20 0 BBADMP [NH3+]C[C@@H]1[C@H](C(=O)NCC(F)(F)C[NH3+])C1(F)F ZINC000876809038 590244885 /nfs/dbraw/zinc/24/48/85/590244885.db2.gz PYLRNBGNONVCER-RFZPGFLSSA-N 2 1 243.204 -0.463 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876809356 590245382 /nfs/dbraw/zinc/24/53/82/590245382.db2.gz UAGCDIFDRAVZFN-BQBZGAKWSA-N 2 1 239.241 -0.356 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876809571 590245529 /nfs/dbraw/zinc/24/55/29/590245529.db2.gz UAGCDIFDRAVZFN-NKWVEPMBSA-N 2 1 239.241 -0.356 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876809572 590245269 /nfs/dbraw/zinc/24/52/69/590245269.db2.gz UAGCDIFDRAVZFN-RNFRBKRXSA-N 2 1 239.241 -0.356 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876809573 590245392 /nfs/dbraw/zinc/24/53/92/590245392.db2.gz UAGCDIFDRAVZFN-RQJHMYQMSA-N 2 1 239.241 -0.356 20 0 BBADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H](N)C[NH+](C)C ZINC000876899057 590255723 /nfs/dbraw/zinc/25/57/23/590255723.db2.gz ZLDVKJQFUSAJHD-NSHDSACASA-N 2 1 242.367 -0.572 20 0 BBADMP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1CSC[NH2+]1 ZINC000877095769 590281827 /nfs/dbraw/zinc/28/18/27/590281827.db2.gz QLXPGOIIZLYQSU-BQBZGAKWSA-N 2 1 203.311 -0.546 20 0 BBADMP C[C@H]([NH3+])CN(C)C(=O)[C@H]1CSC[NH2+]1 ZINC000877095772 590281943 /nfs/dbraw/zinc/28/19/43/590281943.db2.gz QLXPGOIIZLYQSU-NKWVEPMBSA-N 2 1 203.311 -0.546 20 0 BBADMP C[C@@H]([NH3+])CN(C)C(=O)[C@H]1CSC[NH2+]1 ZINC000877095773 590281701 /nfs/dbraw/zinc/28/17/01/590281701.db2.gz QLXPGOIIZLYQSU-RNFRBKRXSA-N 2 1 203.311 -0.546 20 0 BBADMP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1CSC[NH2+]1 ZINC000877095775 590282025 /nfs/dbraw/zinc/28/20/25/590282025.db2.gz QLXPGOIIZLYQSU-RQJHMYQMSA-N 2 1 203.311 -0.546 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000877102289 590283339 /nfs/dbraw/zinc/28/33/39/590283339.db2.gz DNXYUYYPHHPMIO-NXEZZACHSA-N 2 1 229.324 -0.487 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000877102289 590283337 /nfs/dbraw/zinc/28/33/37/590283337.db2.gz DNXYUYYPHHPMIO-NXEZZACHSA-N 2 1 229.324 -0.487 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000877102290 590283181 /nfs/dbraw/zinc/28/31/81/590283181.db2.gz DNXYUYYPHHPMIO-UWVGGRQHSA-N 2 1 229.324 -0.487 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000877102290 590283179 /nfs/dbraw/zinc/28/31/79/590283179.db2.gz DNXYUYYPHHPMIO-UWVGGRQHSA-N 2 1 229.324 -0.487 20 0 BBADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000877102291 590283397 /nfs/dbraw/zinc/28/33/97/590283397.db2.gz DNXYUYYPHHPMIO-VHSXEESVSA-N 2 1 229.324 -0.487 20 0 BBADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000877102291 590283396 /nfs/dbraw/zinc/28/33/96/590283396.db2.gz DNXYUYYPHHPMIO-VHSXEESVSA-N 2 1 229.324 -0.487 20 0 BBADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000877102292 590283259 /nfs/dbraw/zinc/28/32/59/590283259.db2.gz DNXYUYYPHHPMIO-ZJUUUORDSA-N 2 1 229.324 -0.487 20 0 BBADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000877102292 590283257 /nfs/dbraw/zinc/28/32/57/590283257.db2.gz DNXYUYYPHHPMIO-ZJUUUORDSA-N 2 1 229.324 -0.487 20 0 BBADMP C[C@@H]([NH3+])CN(C)C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000877106205 590285231 /nfs/dbraw/zinc/28/52/31/590285231.db2.gz PLXZPRGEMBIIDU-GHMZBOCLSA-N 2 1 242.367 -0.572 20 0 BBADMP C[C@@H]([NH3+])CN(C)C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000877106206 590285331 /nfs/dbraw/zinc/28/53/31/590285331.db2.gz PLXZPRGEMBIIDU-MNOVXSKESA-N 2 1 242.367 -0.572 20 0 BBADMP C[C@H]([NH3+])CN(C)C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000877106208 590285466 /nfs/dbraw/zinc/28/54/66/590285466.db2.gz PLXZPRGEMBIIDU-QWRGUYRKSA-N 2 1 242.367 -0.572 20 0 BBADMP C[C@H](C(=O)N(C)C[C@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC000877106210 590285205 /nfs/dbraw/zinc/28/52/05/590285205.db2.gz PLXZPRGEMBIIDU-WDEREUQCSA-N 2 1 242.367 -0.572 20 0 BBADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](C)[NH3+] ZINC000877106871 590285404 /nfs/dbraw/zinc/28/54/04/590285404.db2.gz XKAWUHPRNODIEA-MRVPVSSYSA-N 2 1 210.281 -0.003 20 0 BBADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](C)[NH3+] ZINC000877106872 590285213 /nfs/dbraw/zinc/28/52/13/590285213.db2.gz XKAWUHPRNODIEA-QMMMGPOBSA-N 2 1 210.281 -0.003 20 0 BBADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](C)[NH3+] ZINC000877107769 590285959 /nfs/dbraw/zinc/28/59/59/590285959.db2.gz LNCULKPVDXVDAU-MRVPVSSYSA-N 2 1 210.281 -0.003 20 0 BBADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](C)[NH3+] ZINC000877107770 590285887 /nfs/dbraw/zinc/28/58/87/590285887.db2.gz LNCULKPVDXVDAU-QMMMGPOBSA-N 2 1 210.281 -0.003 20 0 BBADMP C[N@H+]1CCN(C(=O)C2(O)C[NH2+]C2)CCC1(C)C ZINC000877206774 590301098 /nfs/dbraw/zinc/30/10/98/590301098.db2.gz PGWKUTDCJYWRCL-UHFFFAOYSA-N 2 1 241.335 -0.737 20 0 BBADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]1CSC[NH2+]1)C2 ZINC000877373770 590319662 /nfs/dbraw/zinc/31/96/62/590319662.db2.gz ILYHIIPOGPGEBS-ATZCPNFKSA-N 2 1 241.360 -0.283 20 0 BBADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@H]1CSC[NH2+]1)C2 ZINC000877373771 590320234 /nfs/dbraw/zinc/32/02/34/590320234.db2.gz ILYHIIPOGPGEBS-IQJOONFLSA-N 2 1 241.360 -0.283 20 0 BBADMP CC[C@@H]1COCC[N@H+]1CCNC(=O)CCC[NH3+] ZINC000877432493 590326544 /nfs/dbraw/zinc/32/65/44/590326544.db2.gz DLQBBXBSECMMGL-LLVKDONJSA-N 2 1 243.351 -0.048 20 0 BBADMP CC[C@@H]1COCC[N@@H+]1CCNC(=O)CCC[NH3+] ZINC000877432493 590326542 /nfs/dbraw/zinc/32/65/42/590326542.db2.gz DLQBBXBSECMMGL-LLVKDONJSA-N 2 1 243.351 -0.048 20 0 BBADMP CC[C@H]1COCC[N@H+]1CCNC(=O)CCC[NH3+] ZINC000877432494 590327214 /nfs/dbraw/zinc/32/72/14/590327214.db2.gz DLQBBXBSECMMGL-NSHDSACASA-N 2 1 243.351 -0.048 20 0 BBADMP CC[C@H]1COCC[N@@H+]1CCNC(=O)CCC[NH3+] ZINC000877432494 590327212 /nfs/dbraw/zinc/32/72/12/590327212.db2.gz DLQBBXBSECMMGL-NSHDSACASA-N 2 1 243.351 -0.048 20 0 BBADMP CC[C@@H]1COCC[N@H+]1CCNC(=O)CC[NH2+]C ZINC000877433693 590327252 /nfs/dbraw/zinc/32/72/52/590327252.db2.gz HLHLPLSJROHEIH-LLVKDONJSA-N 2 1 243.351 -0.177 20 0 BBADMP CC[C@@H]1COCC[N@@H+]1CCNC(=O)CC[NH2+]C ZINC000877433693 590327249 /nfs/dbraw/zinc/32/72/49/590327249.db2.gz HLHLPLSJROHEIH-LLVKDONJSA-N 2 1 243.351 -0.177 20 0 BBADMP CC[C@H]1COCC[N@H+]1CCNC(=O)CC[NH2+]C ZINC000877433694 590327558 /nfs/dbraw/zinc/32/75/58/590327558.db2.gz HLHLPLSJROHEIH-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP CC[C@H]1COCC[N@@H+]1CCNC(=O)CC[NH2+]C ZINC000877433694 590327556 /nfs/dbraw/zinc/32/75/56/590327556.db2.gz HLHLPLSJROHEIH-NSHDSACASA-N 2 1 243.351 -0.177 20 0 BBADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C1(O)C[NH2+]C1 ZINC000877452058 590329642 /nfs/dbraw/zinc/32/96/42/590329642.db2.gz SAUVFGCMAUHKGJ-NXEZZACHSA-N 2 1 239.319 -0.984 20 0 BBADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)C1(O)C[NH2+]C1 ZINC000877452059 590329839 /nfs/dbraw/zinc/32/98/39/590329839.db2.gz SAUVFGCMAUHKGJ-UWVGGRQHSA-N 2 1 239.319 -0.984 20 0 BBADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C1(O)C[NH2+]C1 ZINC000877452060 590329502 /nfs/dbraw/zinc/32/95/02/590329502.db2.gz SAUVFGCMAUHKGJ-VHSXEESVSA-N 2 1 239.319 -0.984 20 0 BBADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C1(O)C[NH2+]C1 ZINC000877452061 590329293 /nfs/dbraw/zinc/32/92/93/590329293.db2.gz SAUVFGCMAUHKGJ-ZJUUUORDSA-N 2 1 239.319 -0.984 20 0 BBADMP COCC[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000877983177 590465765 /nfs/dbraw/zinc/46/57/65/590465765.db2.gz LBXOOPMANZKHHN-UHFFFAOYSA-N 2 1 243.351 -0.225 20 0 BBADMP COCC[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000877983177 590465764 /nfs/dbraw/zinc/46/57/64/590465764.db2.gz LBXOOPMANZKHHN-UHFFFAOYSA-N 2 1 243.351 -0.225 20 0 BBADMP CC[N@@H+](CCO)CC(=O)NC1CC[NH+](C)CC1 ZINC000878050455 590482368 /nfs/dbraw/zinc/48/23/68/590482368.db2.gz WSVMCPVZHQAWNF-UHFFFAOYSA-N 2 1 243.351 -0.489 20 0 BBADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCn2cnnn2)C1 ZINC000878103043 590493925 /nfs/dbraw/zinc/49/39/25/590493925.db2.gz BRKALEOLQVTVTE-JTQLQIEISA-N 2 1 224.312 -0.443 20 0 BBADMP C[NH+](C)C[C@@H]1CC[N@H+](CCn2cnnn2)C1 ZINC000878103043 590493923 /nfs/dbraw/zinc/49/39/23/590493923.db2.gz BRKALEOLQVTVTE-JTQLQIEISA-N 2 1 224.312 -0.443 20 0 BBADMP C[NH+](C)C[C@H]1CC[N@@H+](CCn2cnnn2)C1 ZINC000878103052 590493572 /nfs/dbraw/zinc/49/35/72/590493572.db2.gz BRKALEOLQVTVTE-SNVBAGLBSA-N 2 1 224.312 -0.443 20 0 BBADMP C[NH+](C)C[C@H]1CC[N@H+](CCn2cnnn2)C1 ZINC000878103052 590493571 /nfs/dbraw/zinc/49/35/71/590493571.db2.gz BRKALEOLQVTVTE-SNVBAGLBSA-N 2 1 224.312 -0.443 20 0 BBADMP Cn1nnnc1CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000878104925 590495087 /nfs/dbraw/zinc/49/50/87/590495087.db2.gz RTOZUSBUJPFMBH-JTQLQIEISA-N 2 1 238.339 -0.364 20 0 BBADMP Cn1nnnc1CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000878104925 590495085 /nfs/dbraw/zinc/49/50/85/590495085.db2.gz RTOZUSBUJPFMBH-JTQLQIEISA-N 2 1 238.339 -0.364 20 0 BBADMP Cn1nnnc1CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000878104926 590494954 /nfs/dbraw/zinc/49/49/54/590494954.db2.gz RTOZUSBUJPFMBH-SNVBAGLBSA-N 2 1 238.339 -0.364 20 0 BBADMP Cn1nnnc1CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000878104926 590494951 /nfs/dbraw/zinc/49/49/51/590494951.db2.gz RTOZUSBUJPFMBH-SNVBAGLBSA-N 2 1 238.339 -0.364 20 0 BBADMP C[NH+](CCn1cnnn1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000878126733 590500862 /nfs/dbraw/zinc/50/08/62/590500862.db2.gz XEFKDALGUNXCDA-LLVKDONJSA-N 2 1 238.339 -0.053 20 0 BBADMP C[NH+](CCn1cnnn1)C[C@@H]1CCC[N@H+](C)C1 ZINC000878126733 590500860 /nfs/dbraw/zinc/50/08/60/590500860.db2.gz XEFKDALGUNXCDA-LLVKDONJSA-N 2 1 238.339 -0.053 20 0 BBADMP C[N@@H+](CCn1cnnn1)C[C@@H]1CCC[NH+](C)C1 ZINC000878126733 590500858 /nfs/dbraw/zinc/50/08/58/590500858.db2.gz XEFKDALGUNXCDA-LLVKDONJSA-N 2 1 238.339 -0.053 20 0 BBADMP C[N@H+](CCn1cnnn1)C[C@@H]1CCC[NH+](C)C1 ZINC000878126733 590500857 /nfs/dbraw/zinc/50/08/57/590500857.db2.gz XEFKDALGUNXCDA-LLVKDONJSA-N 2 1 238.339 -0.053 20 0 BBADMP C[NH+](CCn1cnnn1)C[C@H]1CCC[N@@H+](C)C1 ZINC000878126736 590501349 /nfs/dbraw/zinc/50/13/49/590501349.db2.gz XEFKDALGUNXCDA-NSHDSACASA-N 2 1 238.339 -0.053 20 0 BBADMP C[NH+](CCn1cnnn1)C[C@H]1CCC[N@H+](C)C1 ZINC000878126736 590501347 /nfs/dbraw/zinc/50/13/47/590501347.db2.gz XEFKDALGUNXCDA-NSHDSACASA-N 2 1 238.339 -0.053 20 0 BBADMP C[N@@H+](CCn1cnnn1)C[C@H]1CCC[NH+](C)C1 ZINC000878126736 590501345 /nfs/dbraw/zinc/50/13/45/590501345.db2.gz XEFKDALGUNXCDA-NSHDSACASA-N 2 1 238.339 -0.053 20 0 BBADMP C[N@H+](CCn1cnnn1)C[C@H]1CCC[NH+](C)C1 ZINC000878126736 590501343 /nfs/dbraw/zinc/50/13/43/590501343.db2.gz XEFKDALGUNXCDA-NSHDSACASA-N 2 1 238.339 -0.053 20 0 BBADMP C[C@H](O)C[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878130106 590502277 /nfs/dbraw/zinc/50/22/77/590502277.db2.gz QKCBOAIQERYNHY-JTQLQIEISA-N 2 1 243.351 -0.491 20 0 BBADMP C[C@@H](O)C[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878130107 590502640 /nfs/dbraw/zinc/50/26/40/590502640.db2.gz QKCBOAIQERYNHY-SNVBAGLBSA-N 2 1 243.351 -0.491 20 0 BBADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCn2cnnn2)C1 ZINC000878166988 583365075 /nfs/dbraw/zinc/36/50/75/583365075.db2.gz KZEJIHNGSNCWSJ-LLVKDONJSA-N 2 1 238.339 -0.053 20 0 BBADMP CC[NH+](C)C[C@H]1CC[N@H+](CCn2cnnn2)C1 ZINC000878166988 583365074 /nfs/dbraw/zinc/36/50/74/583365074.db2.gz KZEJIHNGSNCWSJ-LLVKDONJSA-N 2 1 238.339 -0.053 20 0 BBADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCn2cnnn2)C1 ZINC000878166988 583365073 /nfs/dbraw/zinc/36/50/73/583365073.db2.gz KZEJIHNGSNCWSJ-LLVKDONJSA-N 2 1 238.339 -0.053 20 0 BBADMP CC[N@H+](C)C[C@H]1CC[NH+](CCn2cnnn2)C1 ZINC000878166988 583365072 /nfs/dbraw/zinc/36/50/72/583365072.db2.gz KZEJIHNGSNCWSJ-LLVKDONJSA-N 2 1 238.339 -0.053 20 0 BBADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCn2cnnn2)C1 ZINC000878166989 583365581 /nfs/dbraw/zinc/36/55/81/583365581.db2.gz KZEJIHNGSNCWSJ-NSHDSACASA-N 2 1 238.339 -0.053 20 0 BBADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCn2cnnn2)C1 ZINC000878166989 583365579 /nfs/dbraw/zinc/36/55/79/583365579.db2.gz KZEJIHNGSNCWSJ-NSHDSACASA-N 2 1 238.339 -0.053 20 0 BBADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCn2cnnn2)C1 ZINC000878166989 583365577 /nfs/dbraw/zinc/36/55/77/583365577.db2.gz KZEJIHNGSNCWSJ-NSHDSACASA-N 2 1 238.339 -0.053 20 0 BBADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCn2cnnn2)C1 ZINC000878166989 583365575 /nfs/dbraw/zinc/36/55/75/583365575.db2.gz KZEJIHNGSNCWSJ-NSHDSACASA-N 2 1 238.339 -0.053 20 0 BBADMP C[C@H](CO)[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878297590 590536294 /nfs/dbraw/zinc/53/62/94/590536294.db2.gz KQWKWPIBZHVYEO-SNVBAGLBSA-N 2 1 243.351 -0.491 20 0 BBADMP C[N@@H+](CCCO)CC(=O)NC1CC[NH+](C)CC1 ZINC000878555676 590591149 /nfs/dbraw/zinc/59/11/49/590591149.db2.gz DGKLHHKAVPECFC-UHFFFAOYSA-N 2 1 243.351 -0.489 20 0 BBADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCn3cnnn3)C2)C1 ZINC000878645509 590601342 /nfs/dbraw/zinc/60/13/42/590601342.db2.gz NLSYFVQZJAKPHW-LLVKDONJSA-N 2 1 236.323 -0.299 20 0 BBADMP C[NH+]1CC[C@@]2(CC[N@H+](CCn3cnnn3)C2)C1 ZINC000878645509 590601340 /nfs/dbraw/zinc/60/13/40/590601340.db2.gz NLSYFVQZJAKPHW-LLVKDONJSA-N 2 1 236.323 -0.299 20 0 BBADMP C[N@H+]1CC[C@@]2(CC[NH+](CCn3cnnn3)C2)C1 ZINC000878645509 590601339 /nfs/dbraw/zinc/60/13/39/590601339.db2.gz NLSYFVQZJAKPHW-LLVKDONJSA-N 2 1 236.323 -0.299 20 0 BBADMP C[N@@H+]1CC[C@@]2(CC[NH+](CCn3cnnn3)C2)C1 ZINC000878645509 590601338 /nfs/dbraw/zinc/60/13/38/590601338.db2.gz NLSYFVQZJAKPHW-LLVKDONJSA-N 2 1 236.323 -0.299 20 0 BBADMP C[NH+]1CC[C@]2(CC[N@@H+](CCn3cnnn3)C2)C1 ZINC000878645510 590600904 /nfs/dbraw/zinc/60/09/04/590600904.db2.gz NLSYFVQZJAKPHW-NSHDSACASA-N 2 1 236.323 -0.299 20 0 BBADMP C[NH+]1CC[C@]2(CC[N@H+](CCn3cnnn3)C2)C1 ZINC000878645510 590600903 /nfs/dbraw/zinc/60/09/03/590600903.db2.gz NLSYFVQZJAKPHW-NSHDSACASA-N 2 1 236.323 -0.299 20 0 BBADMP C[N@H+]1CC[C@]2(CC[NH+](CCn3cnnn3)C2)C1 ZINC000878645510 590600902 /nfs/dbraw/zinc/60/09/02/590600902.db2.gz NLSYFVQZJAKPHW-NSHDSACASA-N 2 1 236.323 -0.299 20 0 BBADMP C[N@@H+]1CC[C@]2(CC[NH+](CCn3cnnn3)C2)C1 ZINC000878645510 590600901 /nfs/dbraw/zinc/60/09/01/590600901.db2.gz NLSYFVQZJAKPHW-NSHDSACASA-N 2 1 236.323 -0.299 20 0 BBADMP CN(C)C[C@]1(O)CCC[N@@H+](CC[S@@](C)=O)C1 ZINC000878866190 590634565 /nfs/dbraw/zinc/63/45/65/590634565.db2.gz RFHSGORTFMPINJ-BDJLRTHQSA-N 2 1 248.392 -0.247 20 0 BBADMP CN(C)C[C@]1(O)CCC[N@@H+](CC[S@](C)=O)C1 ZINC000878866191 590634211 /nfs/dbraw/zinc/63/42/11/590634211.db2.gz RFHSGORTFMPINJ-BZNIZROVSA-N 2 1 248.392 -0.247 20 0 BBADMP CN(C)C[C@@]1(O)CCC[N@@H+](CC[S@@](C)=O)C1 ZINC000878866192 590634292 /nfs/dbraw/zinc/63/42/92/590634292.db2.gz RFHSGORTFMPINJ-MEDUHNTESA-N 2 1 248.392 -0.247 20 0 BBADMP CN(C)C[C@@]1(O)CCC[N@@H+](CC[S@](C)=O)C1 ZINC000878866193 590634099 /nfs/dbraw/zinc/63/40/99/590634099.db2.gz RFHSGORTFMPINJ-ZBEGNZNMSA-N 2 1 248.392 -0.247 20 0 BBADMP COCC[N@H+](CC(N)=O)CC1CC[NH+](C)CC1 ZINC000879123393 590699568 /nfs/dbraw/zinc/69/95/68/590699568.db2.gz GTWJKJJROVLBQZ-UHFFFAOYSA-N 2 1 243.351 -0.238 20 0 BBADMP CCN1CC[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC000882487392 583617831 /nfs/dbraw/zinc/61/78/31/583617831.db2.gz DJFNTQOHSXFCAX-WDEREUQCSA-N 2 1 241.335 -0.473 20 0 BBADMP CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC000882487392 583617830 /nfs/dbraw/zinc/61/78/30/583617830.db2.gz DJFNTQOHSXFCAX-WDEREUQCSA-N 2 1 241.335 -0.473 20 0 BBADMP c1nnnn1CC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000883415612 591653214 /nfs/dbraw/zinc/65/32/14/591653214.db2.gz AHVWWZNGVSMIOZ-UHFFFAOYSA-N 2 1 236.323 -0.111 20 0 BBADMP c1nnnn1CC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000883415612 591653211 /nfs/dbraw/zinc/65/32/11/591653211.db2.gz AHVWWZNGVSMIOZ-UHFFFAOYSA-N 2 1 236.323 -0.111 20 0 BBADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCn1cnnn1 ZINC000883430185 591662055 /nfs/dbraw/zinc/66/20/55/591662055.db2.gz OVDAAFGXIFSOAE-MRVPVSSYSA-N 2 1 212.301 -0.364 20 0 BBADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCn1cnnn1 ZINC000883430186 591661399 /nfs/dbraw/zinc/66/13/99/591661399.db2.gz OVDAAFGXIFSOAE-QMMMGPOBSA-N 2 1 212.301 -0.364 20 0 BBADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCn1cnnn1 ZINC000883430433 591661527 /nfs/dbraw/zinc/66/15/27/591661527.db2.gz VHUSZKGWZXVCRA-BBBLOLIVSA-N 2 1 224.312 -0.351 20 0 BBADMP C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]CCn1cnnn1 ZINC000883430433 591661525 /nfs/dbraw/zinc/66/15/25/591661525.db2.gz VHUSZKGWZXVCRA-BBBLOLIVSA-N 2 1 224.312 -0.351 20 0 BBADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCn1cnnn1 ZINC000883430434 591662176 /nfs/dbraw/zinc/66/21/76/591662176.db2.gz VHUSZKGWZXVCRA-KXUCPTDWSA-N 2 1 224.312 -0.351 20 0 BBADMP C[C@@H]1CCN[C@@H](C)[C@@H]1[NH2+]CCn1cnnn1 ZINC000883430434 591662172 /nfs/dbraw/zinc/66/21/72/591662172.db2.gz VHUSZKGWZXVCRA-KXUCPTDWSA-N 2 1 224.312 -0.351 20 0 BBADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCn1cnnn1 ZINC000883430435 591661933 /nfs/dbraw/zinc/66/19/33/591661933.db2.gz VHUSZKGWZXVCRA-OPRDCNLKSA-N 2 1 224.312 -0.351 20 0 BBADMP C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]CCn1cnnn1 ZINC000883430435 591661929 /nfs/dbraw/zinc/66/19/29/591661929.db2.gz VHUSZKGWZXVCRA-OPRDCNLKSA-N 2 1 224.312 -0.351 20 0 BBADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCn1cnnn1 ZINC000883430436 591661512 /nfs/dbraw/zinc/66/15/12/591661512.db2.gz VHUSZKGWZXVCRA-UTLUCORTSA-N 2 1 224.312 -0.351 20 0 BBADMP C[C@@H]1CCN[C@@H](C)[C@H]1[NH2+]CCn1cnnn1 ZINC000883430436 591661510 /nfs/dbraw/zinc/66/15/10/591661510.db2.gz VHUSZKGWZXVCRA-UTLUCORTSA-N 2 1 224.312 -0.351 20 0 BBADMP c1nnnn1CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000883430674 591662246 /nfs/dbraw/zinc/66/22/46/591662246.db2.gz ZZFUHRHOFKFIEP-LLVKDONJSA-N 2 1 236.323 -0.251 20 0 BBADMP c1nnnn1CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000883430674 591662244 /nfs/dbraw/zinc/66/22/44/591662244.db2.gz ZZFUHRHOFKFIEP-LLVKDONJSA-N 2 1 236.323 -0.251 20 0 BBADMP c1nnnn1CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000883430675 591661592 /nfs/dbraw/zinc/66/15/92/591661592.db2.gz ZZFUHRHOFKFIEP-NSHDSACASA-N 2 1 236.323 -0.251 20 0 BBADMP c1nnnn1CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000883430675 591661589 /nfs/dbraw/zinc/66/15/89/591661589.db2.gz ZZFUHRHOFKFIEP-NSHDSACASA-N 2 1 236.323 -0.251 20 0 BBADMP c1nnnn1CC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000883433712 591664949 /nfs/dbraw/zinc/66/49/49/591664949.db2.gz XHUYEGVCCOXRGA-UHFFFAOYSA-N 2 1 222.296 -0.499 20 0 BBADMP O[C@@H]1C[C@H]2CN(C[C@@H]3C[C@H](F)C[NH2+]3)CC[N@H+]2C1 ZINC000883435683 591665339 /nfs/dbraw/zinc/66/53/39/591665339.db2.gz ZJXVQTLDRCFDBV-FIQHERPVSA-N 2 1 243.326 -0.563 20 0 BBADMP CC(=O)N1C[C@@H]2C[N@H+](CCC[NH3+])C[C@@H]2C1 ZINC000883448535 591671101 /nfs/dbraw/zinc/67/11/01/591671101.db2.gz IEIMABFEESODIY-PHIMTYICSA-N 2 1 211.309 -0.255 20 0 BBADMP CC(C)C[C@@H](C(N)=O)[N@@H+](C)CCOCC[NH3+] ZINC000883461840 591674279 /nfs/dbraw/zinc/67/42/79/591674279.db2.gz DZQLZOHERAUOTM-JTQLQIEISA-N 2 1 231.340 -0.207 20 0 BBADMP [NH3+]CCC[N@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000883461845 591673742 /nfs/dbraw/zinc/67/37/42/591673742.db2.gz FCBFBLXKOMCRKK-NXEZZACHSA-N 2 1 211.309 -0.064 20 0 BBADMP [NH3+]CCC[N@@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000883461845 591673741 /nfs/dbraw/zinc/67/37/41/591673741.db2.gz FCBFBLXKOMCRKK-NXEZZACHSA-N 2 1 211.309 -0.064 20 0 BBADMP [NH3+]CCC[N@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000883461846 591673791 /nfs/dbraw/zinc/67/37/91/591673791.db2.gz FCBFBLXKOMCRKK-UWVGGRQHSA-N 2 1 211.309 -0.064 20 0 BBADMP [NH3+]CCC[N@@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000883461846 591673789 /nfs/dbraw/zinc/67/37/89/591673789.db2.gz FCBFBLXKOMCRKK-UWVGGRQHSA-N 2 1 211.309 -0.064 20 0 BBADMP [NH3+]CCC[N@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000883461847 591674551 /nfs/dbraw/zinc/67/45/51/591674551.db2.gz FCBFBLXKOMCRKK-VHSXEESVSA-N 2 1 211.309 -0.064 20 0 BBADMP [NH3+]CCC[N@@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000883461847 591674550 /nfs/dbraw/zinc/67/45/50/591674550.db2.gz FCBFBLXKOMCRKK-VHSXEESVSA-N 2 1 211.309 -0.064 20 0 BBADMP [NH3+]CCC[N@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000883461848 591673816 /nfs/dbraw/zinc/67/38/16/591673816.db2.gz FCBFBLXKOMCRKK-ZJUUUORDSA-N 2 1 211.309 -0.064 20 0 BBADMP [NH3+]CCC[N@@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000883461848 591673813 /nfs/dbraw/zinc/67/38/13/591673813.db2.gz FCBFBLXKOMCRKK-ZJUUUORDSA-N 2 1 211.309 -0.064 20 0 BBADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000883462138 591674592 /nfs/dbraw/zinc/67/45/92/591674592.db2.gz KSYJXLWHLSPXHG-GHMZBOCLSA-N 2 1 241.335 -0.438 20 0 BBADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000883462139 591674203 /nfs/dbraw/zinc/67/42/03/591674203.db2.gz KSYJXLWHLSPXHG-MNOVXSKESA-N 2 1 241.335 -0.438 20 0 BBADMP [NH3+]CCOCC[N@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000883462140 591674233 /nfs/dbraw/zinc/67/42/33/591674233.db2.gz KSYJXLWHLSPXHG-QWRGUYRKSA-N 2 1 241.335 -0.438 20 0 BBADMP [NH3+]CCOCC[N@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000883462141 591674193 /nfs/dbraw/zinc/67/41/93/591674193.db2.gz KSYJXLWHLSPXHG-WDEREUQCSA-N 2 1 241.335 -0.438 20 0 BBADMP c1ncc2c(n1)CC[N@H+](CCN1CC[NH2+]CC1)C2 ZINC000883462342 591673924 /nfs/dbraw/zinc/67/39/24/591673924.db2.gz OSANJHIVAPBIEZ-UHFFFAOYSA-N 2 1 247.346 -0.260 20 0 BBADMP [NH3+]CCOCC[N@H+]1CCc2ncncc2C1 ZINC000883462448 591673985 /nfs/dbraw/zinc/67/39/85/591673985.db2.gz RDTQERFLRZDXCE-UHFFFAOYSA-N 2 1 222.292 -0.190 20 0 BBADMP [NH3+]CCOCC[N@@H+]1CCc2ncncc2C1 ZINC000883462448 591673983 /nfs/dbraw/zinc/67/39/83/591673983.db2.gz RDTQERFLRZDXCE-UHFFFAOYSA-N 2 1 222.292 -0.190 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000884195647 591872962 /nfs/dbraw/zinc/87/29/62/591872962.db2.gz UYUJAXVOIBLIFX-AXFHLTTASA-N 2 1 241.335 -0.297 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000884195648 591871431 /nfs/dbraw/zinc/87/14/31/591871431.db2.gz UYUJAXVOIBLIFX-MXWKQRLJSA-N 2 1 241.335 -0.297 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000884226062 645870447 /nfs/dbraw/zinc/87/04/47/645870447.db2.gz JKXACIZNUXBRAV-AXFHLTTASA-N 2 1 243.351 -0.099 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000884226063 645870821 /nfs/dbraw/zinc/87/08/21/645870821.db2.gz JKXACIZNUXBRAV-DCAQKATOSA-N 2 1 243.351 -0.099 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000884226064 645870974 /nfs/dbraw/zinc/87/09/74/645870974.db2.gz JKXACIZNUXBRAV-MXWKQRLJSA-N 2 1 243.351 -0.099 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000884226065 645870312 /nfs/dbraw/zinc/87/03/12/645870312.db2.gz JKXACIZNUXBRAV-VWYCJHECSA-N 2 1 243.351 -0.099 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000884233337 591876526 /nfs/dbraw/zinc/87/65/26/591876526.db2.gz OGWHINHIFWAYBQ-KKZNHRDASA-N 2 1 241.335 -0.299 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000884233338 591876732 /nfs/dbraw/zinc/87/67/32/591876732.db2.gz OGWHINHIFWAYBQ-NGZCFLSTSA-N 2 1 241.335 -0.299 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000884233339 591876268 /nfs/dbraw/zinc/87/62/68/591876268.db2.gz OGWHINHIFWAYBQ-QXEWZRGKSA-N 2 1 241.335 -0.299 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000884233340 591876945 /nfs/dbraw/zinc/87/69/45/591876945.db2.gz OGWHINHIFWAYBQ-YWVKMMECSA-N 2 1 241.335 -0.299 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000884233652 591876085 /nfs/dbraw/zinc/87/60/85/591876085.db2.gz UJEFELRCASVQLM-GDPRMGEGSA-N 2 1 241.335 -0.441 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000884233653 591876161 /nfs/dbraw/zinc/87/61/61/591876161.db2.gz UJEFELRCASVQLM-IEBDPFPHSA-N 2 1 241.335 -0.441 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000884233654 591876290 /nfs/dbraw/zinc/87/62/90/591876290.db2.gz UJEFELRCASVQLM-LSJOCFKGSA-N 2 1 241.335 -0.441 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000884233655 591876117 /nfs/dbraw/zinc/87/61/17/591876117.db2.gz UJEFELRCASVQLM-MIMYLULJSA-N 2 1 241.335 -0.441 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)[C@H]([NH3+])CC1CC1 ZINC000884253327 591884849 /nfs/dbraw/zinc/88/48/49/591884849.db2.gz HAUOVPVODSTDFG-SSDOTTSWSA-N 2 1 221.251 -0.176 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884253328 591885287 /nfs/dbraw/zinc/88/52/87/591885287.db2.gz HAUOVPVODSTDFG-ZETCQYMHSA-N 2 1 221.251 -0.176 20 0 BBADMP CC1(C)C[NH2+]C[C@@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000884253690 591885617 /nfs/dbraw/zinc/88/56/17/591885617.db2.gz RJXDMXOZLIAOGM-SSDOTTSWSA-N 2 1 235.278 -0.058 20 0 BBADMP CC1(C)C[NH2+]C[C@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000884253691 591885053 /nfs/dbraw/zinc/88/50/53/591885053.db2.gz RJXDMXOZLIAOGM-ZETCQYMHSA-N 2 1 235.278 -0.058 20 0 BBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ncoc1C[NH3+] ZINC000884254076 591885436 /nfs/dbraw/zinc/88/54/36/591885436.db2.gz DNTQNPKERQXFCS-HTQZYQBOSA-N 2 1 238.291 -0.139 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000884314554 591902089 /nfs/dbraw/zinc/90/20/89/591902089.db2.gz NBTWBRDHQFZAAD-AXFHLTTASA-N 2 1 243.351 -0.241 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000884314555 591902147 /nfs/dbraw/zinc/90/21/47/591902147.db2.gz NBTWBRDHQFZAAD-DCAQKATOSA-N 2 1 243.351 -0.241 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000884314556 591902205 /nfs/dbraw/zinc/90/22/05/591902205.db2.gz NBTWBRDHQFZAAD-MXWKQRLJSA-N 2 1 243.351 -0.241 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000884314557 591901319 /nfs/dbraw/zinc/90/13/19/591901319.db2.gz NBTWBRDHQFZAAD-VWYCJHECSA-N 2 1 243.351 -0.241 20 0 BBADMP COCC[C@@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000884325615 591905187 /nfs/dbraw/zinc/90/51/87/591905187.db2.gz VZCNYQWTJDUHKL-LLVKDONJSA-N 2 1 243.351 -0.097 20 0 BBADMP COCC[C@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000884325616 591903613 /nfs/dbraw/zinc/90/36/13/591903613.db2.gz VZCNYQWTJDUHKL-NSHDSACASA-N 2 1 243.351 -0.097 20 0 BBADMP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@H]1CSC[NH2+]1 ZINC000884347688 591908958 /nfs/dbraw/zinc/90/89/58/591908958.db2.gz BJXVWXFOMKDNSD-BWZBUEFSSA-N 2 1 229.349 -0.109 20 0 BBADMP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)[C@H]1CSC[NH2+]1 ZINC000884347689 591909245 /nfs/dbraw/zinc/90/92/45/591909245.db2.gz BJXVWXFOMKDNSD-CSMHCCOUSA-N 2 1 229.349 -0.109 20 0 BBADMP CC1(C)[C@H](NC(=O)[C@H]2CSC[NH2+]2)C[C@@H]1[NH3+] ZINC000884347690 591908450 /nfs/dbraw/zinc/90/84/50/591908450.db2.gz BJXVWXFOMKDNSD-GJMOJQLCSA-N 2 1 229.349 -0.109 20 0 BBADMP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]1CSC[NH2+]1 ZINC000884347691 591908815 /nfs/dbraw/zinc/90/88/15/591908815.db2.gz BJXVWXFOMKDNSD-PRJMDXOYSA-N 2 1 229.349 -0.109 20 0 BBADMP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1CSC[NH2+]1 ZINC000884347692 591908989 /nfs/dbraw/zinc/90/89/89/591908989.db2.gz BJXVWXFOMKDNSD-RNJXMRFFSA-N 2 1 229.349 -0.109 20 0 BBADMP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H]1CSC[NH2+]1 ZINC000884347693 591908836 /nfs/dbraw/zinc/90/88/36/591908836.db2.gz BJXVWXFOMKDNSD-XLPZGREQSA-N 2 1 229.349 -0.109 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884471225 591945328 /nfs/dbraw/zinc/94/53/28/591945328.db2.gz OYSPBWZMTYVPBW-AXFHLTTASA-N 2 1 241.335 -0.487 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884471226 591945029 /nfs/dbraw/zinc/94/50/29/591945029.db2.gz OYSPBWZMTYVPBW-DCAQKATOSA-N 2 1 241.335 -0.487 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000884471227 591944873 /nfs/dbraw/zinc/94/48/73/591944873.db2.gz OYSPBWZMTYVPBW-MXWKQRLJSA-N 2 1 241.335 -0.487 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000884471228 591945462 /nfs/dbraw/zinc/94/54/62/591945462.db2.gz OYSPBWZMTYVPBW-VWYCJHECSA-N 2 1 241.335 -0.487 20 0 BBADMP CO[C@@H](C[NH3+])C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000884471780 591945487 /nfs/dbraw/zinc/94/54/87/591945487.db2.gz GAJAYVODNUHQFT-MNOVXSKESA-N 2 1 243.351 -0.241 20 0 BBADMP Cc1cc(NCC[N@@H+](C)CCO)nc(N)[nH+]1 ZINC000884823824 592021981 /nfs/dbraw/zinc/02/19/81/592021981.db2.gz GPQIEKNEAOQEHH-UHFFFAOYSA-N 2 1 225.296 -0.297 20 0 BBADMP CN(C)c1nc(NCC[N@@H+](C)CCO)cc[nH+]1 ZINC000884824798 592022401 /nfs/dbraw/zinc/02/24/01/592022401.db2.gz OKAKEXYQABMARW-UHFFFAOYSA-N 2 1 239.323 -0.121 20 0 BBADMP CN(C)c1nc(NCC[N@H+](C)CCO)cc[nH+]1 ZINC000884824798 592022398 /nfs/dbraw/zinc/02/23/98/592022398.db2.gz OKAKEXYQABMARW-UHFFFAOYSA-N 2 1 239.323 -0.121 20 0 BBADMP C[N@@H+](CCO)CCNc1ccncc1F ZINC000884826210 592018328 /nfs/dbraw/zinc/01/83/28/592018328.db2.gz OOSWXRUJZWELDS-UHFFFAOYSA-N 2 1 213.256 -0.021 20 0 BBADMP C[N@@H+](CCO)CCNc1cc[nH+]c(CO)c1 ZINC000884826281 592023945 /nfs/dbraw/zinc/02/39/45/592023945.db2.gz ULEFMQDJTHLWOA-UHFFFAOYSA-N 2 1 225.292 -0.090 20 0 BBADMP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000886524309 592245386 /nfs/dbraw/zinc/24/53/86/592245386.db2.gz IIIGMVCZGYGJIR-GMTAPVOTSA-N 2 1 244.335 -0.160 20 0 BBADMP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1 ZINC000886524310 592246269 /nfs/dbraw/zinc/24/62/69/592246269.db2.gz IIIGMVCZGYGJIR-MXWKQRLJSA-N 2 1 244.335 -0.160 20 0 BBADMP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000886524311 592246453 /nfs/dbraw/zinc/24/64/53/592246453.db2.gz IIIGMVCZGYGJIR-OUAUKWLOSA-N 2 1 244.335 -0.160 20 0 BBADMP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1 ZINC000886524312 592245668 /nfs/dbraw/zinc/24/56/68/592245668.db2.gz IIIGMVCZGYGJIR-VWYCJHECSA-N 2 1 244.335 -0.160 20 0 BBADMP [NH3+]CC[N@@H+](CCO)C[C@H]1C[C@@]12CCOC2 ZINC000886833057 592357230 /nfs/dbraw/zinc/35/72/30/592357230.db2.gz SFQYHXIICIEDSD-GHMZBOCLSA-N 2 1 214.309 -0.334 20 0 BBADMP [NH3+]CC[N@H+](CCO)C[C@H]1C[C@@]12CCOC2 ZINC000886833057 592357224 /nfs/dbraw/zinc/35/72/24/592357224.db2.gz SFQYHXIICIEDSD-GHMZBOCLSA-N 2 1 214.309 -0.334 20 0 BBADMP [NH3+]CC[N@@H+](CCO)C[C@H]1C[C@]12CCOC2 ZINC000886833058 592356187 /nfs/dbraw/zinc/35/61/87/592356187.db2.gz SFQYHXIICIEDSD-MNOVXSKESA-N 2 1 214.309 -0.334 20 0 BBADMP [NH3+]CC[N@H+](CCO)C[C@H]1C[C@]12CCOC2 ZINC000886833058 592356182 /nfs/dbraw/zinc/35/61/82/592356182.db2.gz SFQYHXIICIEDSD-MNOVXSKESA-N 2 1 214.309 -0.334 20 0 BBADMP [NH3+]CC[N@@H+](CCO)C[C@@H]1C[C@]12CCOC2 ZINC000886833059 592356743 /nfs/dbraw/zinc/35/67/43/592356743.db2.gz SFQYHXIICIEDSD-QWRGUYRKSA-N 2 1 214.309 -0.334 20 0 BBADMP [NH3+]CC[N@H+](CCO)C[C@@H]1C[C@]12CCOC2 ZINC000886833059 592356739 /nfs/dbraw/zinc/35/67/39/592356739.db2.gz SFQYHXIICIEDSD-QWRGUYRKSA-N 2 1 214.309 -0.334 20 0 BBADMP [NH3+]CC[N@@H+](CCO)C[C@@H]1C[C@@]12CCOC2 ZINC000886833060 592355702 /nfs/dbraw/zinc/35/57/02/592355702.db2.gz SFQYHXIICIEDSD-WDEREUQCSA-N 2 1 214.309 -0.334 20 0 BBADMP [NH3+]CC[N@H+](CCO)C[C@@H]1C[C@@]12CCOC2 ZINC000886833060 592355699 /nfs/dbraw/zinc/35/56/99/592355699.db2.gz SFQYHXIICIEDSD-WDEREUQCSA-N 2 1 214.309 -0.334 20 0 BBADMP NCC[N@@H+](C[C@H](O)CO)C[C@H]1C[C@@]12CCOC2 ZINC000886841276 592360199 /nfs/dbraw/zinc/36/01/99/592360199.db2.gz GWPCVISEOOHWIJ-GRYCIOLGSA-N 2 1 244.335 -0.973 20 0 BBADMP NCC[N@@H+](C[C@H](O)CO)C[C@@H]1C[C@@]12CCOC2 ZINC000886841277 592360739 /nfs/dbraw/zinc/36/07/39/592360739.db2.gz GWPCVISEOOHWIJ-SDDRHHMPSA-N 2 1 244.335 -0.973 20 0 BBADMP NCC[N@@H+](C[C@H](O)CO)C[C@@H]1C[C@]12CCOC2 ZINC000886841278 592360543 /nfs/dbraw/zinc/36/05/43/592360543.db2.gz GWPCVISEOOHWIJ-SRVKXCTJSA-N 2 1 244.335 -0.973 20 0 BBADMP NCC[N@@H+](C[C@H](O)CO)C[C@H]1C[C@]12CCOC2 ZINC000886841279 592360372 /nfs/dbraw/zinc/36/03/72/592360372.db2.gz GWPCVISEOOHWIJ-WOPDTQHZSA-N 2 1 244.335 -0.973 20 0 BBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=[NH2+])NCC1CC1 ZINC000887355024 592487601 /nfs/dbraw/zinc/48/76/01/592487601.db2.gz AFMNJBCHVGTVRR-LLVKDONJSA-N 2 1 239.367 -0.244 20 0 BBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=[NH2+])NCC1CC1 ZINC000887355025 592488103 /nfs/dbraw/zinc/48/81/03/592488103.db2.gz AFMNJBCHVGTVRR-NSHDSACASA-N 2 1 239.367 -0.244 20 0 BBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=[NH2+])NCC(F)F ZINC000887355410 592487999 /nfs/dbraw/zinc/48/79/99/592487999.db2.gz PBMYDRKBQXETNH-MRVPVSSYSA-N 2 1 249.309 -0.389 20 0 BBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=[NH2+])NCC(F)F ZINC000887355411 592487570 /nfs/dbraw/zinc/48/75/70/592487570.db2.gz PBMYDRKBQXETNH-QMMMGPOBSA-N 2 1 249.309 -0.389 20 0 BBADMP C[N@H+]1CC[C@@](O)(CNC(=[NH2+])NCC(F)F)C1 ZINC000887357941 592489288 /nfs/dbraw/zinc/48/92/88/592489288.db2.gz KXTMKBQDVOMXDW-SECBINFHSA-N 2 1 236.266 -0.568 20 0 BBADMP C[N@H+]1CC[C@](O)(CNC(=[NH2+])NCC(F)F)C1 ZINC000887357942 592489246 /nfs/dbraw/zinc/48/92/46/592489246.db2.gz KXTMKBQDVOMXDW-VIFPVBQESA-N 2 1 236.266 -0.568 20 0 BBADMP C[N@H+]1CC[C@@](O)(CNC(=[NH2+])NCC2CC2)C1 ZINC000887358288 592489142 /nfs/dbraw/zinc/48/91/42/592489142.db2.gz ZOOVMZBDVAYZJK-LLVKDONJSA-N 2 1 226.324 -0.423 20 0 BBADMP C[N@H+]1CC[C@](O)(CNC(=[NH2+])NCC2CC2)C1 ZINC000887358289 592489164 /nfs/dbraw/zinc/48/91/64/592489164.db2.gz ZOOVMZBDVAYZJK-NSHDSACASA-N 2 1 226.324 -0.423 20 0 BBADMP [NH2+]=C(NCC[NH+]1CCC(O)CC1)NCC1CC1 ZINC000887361547 585497822 /nfs/dbraw/zinc/49/78/22/585497822.db2.gz AANHGQDGERXFHF-UHFFFAOYSA-N 2 1 240.351 -0.033 20 0 BBADMP C[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000887933488 592560584 /nfs/dbraw/zinc/56/05/84/592560584.db2.gz UFQRSGKVORQEHM-CMPLNLGQSA-N 2 1 225.336 -0.042 20 0 BBADMP CC[N@H+]1CC[C@H]1CNC(=O)NCC[NH+](C)C ZINC000890065211 592675113 /nfs/dbraw/zinc/67/51/13/592675113.db2.gz COCYXCRJSUSBEG-JTQLQIEISA-N 2 1 228.340 -0.059 20 0 BBADMP CC[N@H+]1CC[C@@H]1CNC(=O)NCC[NH+](C)C ZINC000890065212 592674148 /nfs/dbraw/zinc/67/41/48/592674148.db2.gz COCYXCRJSUSBEG-SNVBAGLBSA-N 2 1 228.340 -0.059 20 0 BBADMP C[N@H+]1CCC[C@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000891403022 642477560 /nfs/dbraw/zinc/47/75/60/642477560.db2.gz FZKOIQBRKKPSGP-DCAQKATOSA-N 2 1 238.335 -0.164 20 0 BBADMP C[N@H+]1CCC[C@@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000891403023 642476855 /nfs/dbraw/zinc/47/68/55/642476855.db2.gz FZKOIQBRKKPSGP-VWYCJHECSA-N 2 1 238.335 -0.164 20 0 BBADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891438266 582685261 /nfs/dbraw/zinc/68/52/61/582685261.db2.gz QJUQGHXUKSSKLU-AXFHLTTASA-N 2 1 238.335 -0.164 20 0 BBADMP Cc1[nH+]ccn1CCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891467618 582691187 /nfs/dbraw/zinc/69/11/87/582691187.db2.gz MCZLMAGPSRCNHF-QWRGUYRKSA-N 2 1 249.318 -0.053 20 0 BBADMP C[N@@H+](CCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CC1 ZINC000891546120 582696028 /nfs/dbraw/zinc/69/60/28/582696028.db2.gz PXXBXGSNEMNMRM-ONGXEEELSA-N 2 1 238.335 -0.164 20 0 BBADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCC[NH3+])CC[C@H]21 ZINC000891975781 582751566 /nfs/dbraw/zinc/75/15/66/582751566.db2.gz FNEMNTHOHMULPW-NXEZZACHSA-N 2 1 226.324 -0.319 20 0 BBADMP C[N@H+]1CC[C@H]2CN(C(=O)NCC[NH3+])CC[C@@H]21 ZINC000891975782 582751576 /nfs/dbraw/zinc/75/15/76/582751576.db2.gz FNEMNTHOHMULPW-UWVGGRQHSA-N 2 1 226.324 -0.319 20 0 BBADMP C[N@H+]1CC[C@H]2CN(C(=O)NCC[NH3+])CC[C@H]21 ZINC000891975783 582751452 /nfs/dbraw/zinc/75/14/52/582751452.db2.gz FNEMNTHOHMULPW-VHSXEESVSA-N 2 1 226.324 -0.319 20 0 BBADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCC[NH3+])CC[C@@H]21 ZINC000891975784 582751659 /nfs/dbraw/zinc/75/16/59/582751659.db2.gz FNEMNTHOHMULPW-ZJUUUORDSA-N 2 1 226.324 -0.319 20 0 BBADMP C[N@H+]1CCN(C(=O)NCC[NH3+])CC1(C)C ZINC000891977385 582750935 /nfs/dbraw/zinc/75/09/35/582750935.db2.gz VPKINHQFVWUQCD-UHFFFAOYSA-N 2 1 214.313 -0.319 20 0 BBADMP C[NH2+]CCNC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000891992200 582755087 /nfs/dbraw/zinc/75/50/87/582755087.db2.gz DQJNXKNTIATDIP-GHMZBOCLSA-N 2 1 240.351 -0.059 20 0 BBADMP C[NH2+]CCNC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000891992201 582755197 /nfs/dbraw/zinc/75/51/97/582755197.db2.gz DQJNXKNTIATDIP-MNOVXSKESA-N 2 1 240.351 -0.059 20 0 BBADMP C[NH2+]CCNC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000891992202 582755051 /nfs/dbraw/zinc/75/50/51/582755051.db2.gz DQJNXKNTIATDIP-QWRGUYRKSA-N 2 1 240.351 -0.059 20 0 BBADMP C[NH2+]CCNC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000891992203 582755029 /nfs/dbraw/zinc/75/50/29/582755029.db2.gz DQJNXKNTIATDIP-WDEREUQCSA-N 2 1 240.351 -0.059 20 0 BBADMP C[NH2+]CCNC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000891994528 582755973 /nfs/dbraw/zinc/75/59/73/582755973.db2.gz WQBKXHPVPRGHFB-UHFFFAOYSA-N 2 1 228.340 -0.059 20 0 BBADMP C[N@H+]1CCN(C(=O)NCC2C[NH2+]C2)CC1(C)C ZINC000892048307 582773360 /nfs/dbraw/zinc/77/33/60/582773360.db2.gz IYUDCQLRPCEOPD-UHFFFAOYSA-N 2 1 240.351 -0.059 20 0 BBADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCC(F)(F)C[NH3+] ZINC000892061391 582780169 /nfs/dbraw/zinc/78/01/69/582780169.db2.gz HGVXAJHJCYZLNP-BQBZGAKWSA-N 2 1 236.266 -0.289 20 0 BBADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCC(F)(F)C[NH3+] ZINC000892061392 582779843 /nfs/dbraw/zinc/77/98/43/582779843.db2.gz HGVXAJHJCYZLNP-NKWVEPMBSA-N 2 1 236.266 -0.289 20 0 BBADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC(F)(F)C[NH3+] ZINC000892061393 582780230 /nfs/dbraw/zinc/78/02/30/582780230.db2.gz HGVXAJHJCYZLNP-RNFRBKRXSA-N 2 1 236.266 -0.289 20 0 BBADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC(F)(F)C[NH3+] ZINC000892061394 582780180 /nfs/dbraw/zinc/78/01/80/582780180.db2.gz HGVXAJHJCYZLNP-RQJHMYQMSA-N 2 1 236.266 -0.289 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892061853 582780031 /nfs/dbraw/zinc/78/00/31/582780031.db2.gz MTGYWSRZLPJOFM-BQBZGAKWSA-N 2 1 234.250 -0.664 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892063130 582780732 /nfs/dbraw/zinc/78/07/32/582780732.db2.gz WRAHRTHLXVLIEB-OCAPTIKFSA-N 2 1 248.277 -0.274 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892065533 582781939 /nfs/dbraw/zinc/78/19/39/582781939.db2.gz SDBQQTFILMKFQP-KNVOCYPGSA-N 2 1 236.266 -0.383 20 0 BBADMP [NH3+]CC(F)(F)CNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892065534 582781918 /nfs/dbraw/zinc/78/19/18/582781918.db2.gz SDBQQTFILMKFQP-LJGSYFOKSA-N 2 1 236.266 -0.383 20 0 BBADMP [NH3+]C[C@H]1CCCN1C(=O)NCC(F)(F)C[NH3+] ZINC000892065968 582782985 /nfs/dbraw/zinc/78/29/85/582782985.db2.gz XIDXNNKQPVWRSL-SSDOTTSWSA-N 2 1 236.266 -0.287 20 0 BBADMP C[NH+]1CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000892564284 632974422 /nfs/dbraw/zinc/97/44/22/632974422.db2.gz CJLPSLSEESXRTJ-AOOOYVTPSA-N 2 1 226.324 -0.319 20 0 BBADMP C[NH+]1CCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000892583825 582921645 /nfs/dbraw/zinc/92/16/45/582921645.db2.gz CJLPSLSEESXRTJ-MGCOHNPYSA-N 2 1 226.324 -0.319 20 0 BBADMP CC(=O)OC[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000892670865 582947442 /nfs/dbraw/zinc/94/74/42/582947442.db2.gz YXACGSOXVHUIAW-CMPLNLGQSA-N 2 1 244.335 -0.016 20 0 BBADMP CC(=O)OC[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000892670867 582947365 /nfs/dbraw/zinc/94/73/65/582947365.db2.gz YXACGSOXVHUIAW-JQWIXIFHSA-N 2 1 244.335 -0.016 20 0 BBADMP CC(=O)OC[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000892670868 582947253 /nfs/dbraw/zinc/94/72/53/582947253.db2.gz YXACGSOXVHUIAW-PWSUYJOCSA-N 2 1 244.335 -0.016 20 0 BBADMP CC(=O)OC[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000892670869 582947388 /nfs/dbraw/zinc/94/73/88/582947388.db2.gz YXACGSOXVHUIAW-ZYHUDNBSSA-N 2 1 244.335 -0.016 20 0 BBADMP CC(=O)OC[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000893605885 583171848 /nfs/dbraw/zinc/17/18/48/583171848.db2.gz KZSNAPSASCYRQU-GXSJLCMTSA-N 2 1 230.308 -0.406 20 0 BBADMP CC(=O)OC[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000893605885 583171846 /nfs/dbraw/zinc/17/18/46/583171846.db2.gz KZSNAPSASCYRQU-GXSJLCMTSA-N 2 1 230.308 -0.406 20 0 BBADMP CC(=O)OC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000893605898 583171699 /nfs/dbraw/zinc/17/16/99/583171699.db2.gz KZSNAPSASCYRQU-KOLCDFICSA-N 2 1 230.308 -0.406 20 0 BBADMP CC(=O)OC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000893605898 583171696 /nfs/dbraw/zinc/17/16/96/583171696.db2.gz KZSNAPSASCYRQU-KOLCDFICSA-N 2 1 230.308 -0.406 20 0 BBADMP CC(=O)OC[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000893605900 583171976 /nfs/dbraw/zinc/17/19/76/583171976.db2.gz KZSNAPSASCYRQU-MWLCHTKSSA-N 2 1 230.308 -0.406 20 0 BBADMP CC(=O)OC[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000893605900 583171975 /nfs/dbraw/zinc/17/19/75/583171975.db2.gz KZSNAPSASCYRQU-MWLCHTKSSA-N 2 1 230.308 -0.406 20 0 BBADMP CC(=O)OC[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000893605901 583171661 /nfs/dbraw/zinc/17/16/61/583171661.db2.gz KZSNAPSASCYRQU-ONGXEEELSA-N 2 1 230.308 -0.406 20 0 BBADMP CC(=O)OC[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000893605901 583171659 /nfs/dbraw/zinc/17/16/59/583171659.db2.gz KZSNAPSASCYRQU-ONGXEEELSA-N 2 1 230.308 -0.406 20 0 BBADMP COCCOC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000893607149 635231881 /nfs/dbraw/zinc/23/18/81/635231881.db2.gz VVWMQHFQKYXEDB-NEPJUHHUSA-N 2 1 246.351 -0.306 20 0 BBADMP COCCOC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000893607149 635231877 /nfs/dbraw/zinc/23/18/77/635231877.db2.gz VVWMQHFQKYXEDB-NEPJUHHUSA-N 2 1 246.351 -0.306 20 0 BBADMP COCCOC[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000893607154 635231630 /nfs/dbraw/zinc/23/16/30/635231630.db2.gz VVWMQHFQKYXEDB-NWDGAFQWSA-N 2 1 246.351 -0.306 20 0 BBADMP COCCOC[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000893607154 635231614 /nfs/dbraw/zinc/23/16/14/635231614.db2.gz VVWMQHFQKYXEDB-NWDGAFQWSA-N 2 1 246.351 -0.306 20 0 BBADMP COCCOC[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000893607156 635230782 /nfs/dbraw/zinc/23/07/82/635230782.db2.gz VVWMQHFQKYXEDB-RYUDHWBXSA-N 2 1 246.351 -0.306 20 0 BBADMP COCCOC[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000893607156 635230778 /nfs/dbraw/zinc/23/07/78/635230778.db2.gz VVWMQHFQKYXEDB-RYUDHWBXSA-N 2 1 246.351 -0.306 20 0 BBADMP COCCOC[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000893607157 635232317 /nfs/dbraw/zinc/23/23/17/635232317.db2.gz VVWMQHFQKYXEDB-VXGBXAGGSA-N 2 1 246.351 -0.306 20 0 BBADMP COCCOC[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000893607157 635232309 /nfs/dbraw/zinc/23/23/09/635232309.db2.gz VVWMQHFQKYXEDB-VXGBXAGGSA-N 2 1 246.351 -0.306 20 0 BBADMP C[N@@H+]1C[C@H]2[C@@H](CCN2c2nc(N)[nH+]c(N)n2)C1 ZINC000893937346 583253644 /nfs/dbraw/zinc/25/36/44/583253644.db2.gz ZZWWMRABLCJMKV-BQBZGAKWSA-N 2 1 235.295 -0.824 20 0 BBADMP C[N@H+]1C[C@@H]2CCN(c3nc(N)[nH+]c(N)n3)[C@@H]2C1 ZINC000893937347 583253999 /nfs/dbraw/zinc/25/39/99/583253999.db2.gz ZZWWMRABLCJMKV-NKWVEPMBSA-N 2 1 235.295 -0.824 20 0 BBADMP C[N@H+]1C[C@H]2CCN(c3nc(N)[nH+]c(N)n3)[C@@H]2C1 ZINC000893937348 583253316 /nfs/dbraw/zinc/25/33/16/583253316.db2.gz ZZWWMRABLCJMKV-RNFRBKRXSA-N 2 1 235.295 -0.824 20 0 BBADMP C[N@H+]1C[C@H]2CCN(c3nc(N)[nH+]c(N)n3)[C@H]2C1 ZINC000893937349 583253629 /nfs/dbraw/zinc/25/36/29/583253629.db2.gz ZZWWMRABLCJMKV-RQJHMYQMSA-N 2 1 235.295 -0.824 20 0 BBADMP Cc1ccnc(N)c1CN1C[C@H](O)C[C@H](O)C1 ZINC000894086654 583297401 /nfs/dbraw/zinc/29/74/01/583297401.db2.gz YQYZOYOJZQOLID-AOOOYVTPSA-N 2 1 237.303 -0.100 20 0 BBADMP Cc1ccnc(N)c1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000894086654 583297399 /nfs/dbraw/zinc/29/73/99/583297399.db2.gz YQYZOYOJZQOLID-AOOOYVTPSA-N 2 1 237.303 -0.100 20 0 BBADMP OCc1c[nH+]ccc1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000894349267 583432717 /nfs/dbraw/zinc/43/27/17/583432717.db2.gz JSNRMGAFEIDRCQ-GFCCVEGCSA-N 2 1 249.314 -0.171 20 0 BBADMP Cc1cc(N)nc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[nH+]1 ZINC000894429717 583457107 /nfs/dbraw/zinc/45/71/07/583457107.db2.gz IKNNMRWNHIQPFB-VHSXEESVSA-N 2 1 249.318 -0.378 20 0 BBADMP Cc1cc(N)nc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[nH+]1 ZINC000894429717 583457106 /nfs/dbraw/zinc/45/71/06/583457106.db2.gz IKNNMRWNHIQPFB-VHSXEESVSA-N 2 1 249.318 -0.378 20 0 BBADMP Cc1cc(N)nc(NCC[N@H+]2CC[C@@H](O)C2)[nH+]1 ZINC000894780787 583520760 /nfs/dbraw/zinc/52/07/60/583520760.db2.gz KJIPGOCSULQZNI-SECBINFHSA-N 2 1 237.307 -0.154 20 0 BBADMP Cc1cc(N)nc(NCC[N@@H+]2CC[C@@H](O)C2)[nH+]1 ZINC000894780787 583520759 /nfs/dbraw/zinc/52/07/59/583520759.db2.gz KJIPGOCSULQZNI-SECBINFHSA-N 2 1 237.307 -0.154 20 0 BBADMP OCc1c[nH+]ccc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000894782656 583521531 /nfs/dbraw/zinc/52/15/31/583521531.db2.gz WPCDTRKYBZYIIN-LLVKDONJSA-N 2 1 237.303 -0.526 20 0 BBADMP Cc1cc(N)nc(NCC[N@H+]2CC[C@H](O)C2)[nH+]1 ZINC000894832736 583528292 /nfs/dbraw/zinc/52/82/92/583528292.db2.gz KJIPGOCSULQZNI-VIFPVBQESA-N 2 1 237.307 -0.154 20 0 BBADMP Cc1cc(N)nc(NCC[N@@H+]2CC[C@H](O)C2)[nH+]1 ZINC000894832736 583528291 /nfs/dbraw/zinc/52/82/91/583528291.db2.gz KJIPGOCSULQZNI-VIFPVBQESA-N 2 1 237.307 -0.154 20 0 BBADMP OCc1c[nH+]ccc1NCC[N@H+]1CC[C@H](O)C1 ZINC000894833644 583528158 /nfs/dbraw/zinc/52/81/58/583528158.db2.gz WPCDTRKYBZYIIN-NSHDSACASA-N 2 1 237.303 -0.526 20 0 BBADMP C[N@H+]1CC[C@@H]2CC[C@H](C1)N2c1nc(N)[nH+]c(N)n1 ZINC000895191264 711779877 /nfs/dbraw/zinc/77/98/77/711779877.db2.gz MFBOEBRIJVKVRD-JGVFFNPUSA-N 2 1 249.322 -0.291 20 0 BBADMP C[N@@H+](CCO)CCNc1cc[nH+]cc1CO ZINC000895240261 583631076 /nfs/dbraw/zinc/63/10/76/583631076.db2.gz GPHONPQQDIRHML-UHFFFAOYSA-N 2 1 225.292 -0.668 20 0 BBADMP Cc1cc(N)nc(NCC[N@@H+](C)CCO)[nH+]1 ZINC000895240491 583630962 /nfs/dbraw/zinc/63/09/62/583630962.db2.gz KSVQLHWOUKZBOZ-UHFFFAOYSA-N 2 1 225.296 -0.297 20 0 BBADMP Cc1cc(N)nc(NCC[N@H+](C)CCO)[nH+]1 ZINC000895240491 583630959 /nfs/dbraw/zinc/63/09/59/583630959.db2.gz KSVQLHWOUKZBOZ-UHFFFAOYSA-N 2 1 225.296 -0.297 20 0 BBADMP CNc1cc(NCC[N@@H+](C)CCO)nc[nH+]1 ZINC000895240951 636126549 /nfs/dbraw/zinc/12/65/49/636126549.db2.gz PRBIXSUVHCAYCP-UHFFFAOYSA-N 2 1 225.296 -0.146 20 0 BBADMP CNc1cc(NCC[N@H+](C)CCO)nc[nH+]1 ZINC000895240951 636126547 /nfs/dbraw/zinc/12/65/47/636126547.db2.gz PRBIXSUVHCAYCP-UHFFFAOYSA-N 2 1 225.296 -0.146 20 0 BBADMP C[NH+]1CCC(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)CC1 ZINC000895491761 583681047 /nfs/dbraw/zinc/68/10/47/583681047.db2.gz LYDFFHBMQFXLSW-MNOVXSKESA-N 2 1 241.335 -0.751 20 0 BBADMP CO[N-]C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000896923843 583858678 /nfs/dbraw/zinc/85/86/78/583858678.db2.gz JFTUWVYYYARJPQ-PBINXNQUSA-N 2 1 227.308 -0.121 20 0 BBADMP Cn1nnnc1CCC[NH2+]C1CC[NH+](C)CC1 ZINC000898039992 584080068 /nfs/dbraw/zinc/08/00/68/584080068.db2.gz MJSFWVHTXAONQN-UHFFFAOYSA-N 2 1 238.339 -0.174 20 0 BBADMP C[NH+](C)CC(=O)N1CC([NH+]2CCCC2)C1 ZINC000898611538 584146165 /nfs/dbraw/zinc/14/61/65/584146165.db2.gz VTLIQGOAKPRUCS-UHFFFAOYSA-N 2 1 211.309 -0.145 20 0 BBADMP C[C@@H](NC(=[NH2+])NC[C@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000899269919 584193545 /nfs/dbraw/zinc/19/35/45/584193545.db2.gz FRDMIAQPEWWNLD-BXKDBHETSA-N 2 1 240.351 -0.035 20 0 BBADMP C[C@H](NC(=[NH2+])NC[C@@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000899269922 584193511 /nfs/dbraw/zinc/19/35/11/584193511.db2.gz FRDMIAQPEWWNLD-CABZTGNLSA-N 2 1 240.351 -0.035 20 0 BBADMP C[C@H](NC(=[NH2+])NC[C@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000899269923 584193798 /nfs/dbraw/zinc/19/37/98/584193798.db2.gz FRDMIAQPEWWNLD-JOYOIKCWSA-N 2 1 240.351 -0.035 20 0 BBADMP C[C@@H](NC(=[NH2+])NC[C@@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000899269925 584193647 /nfs/dbraw/zinc/19/36/47/584193647.db2.gz FRDMIAQPEWWNLD-SKDRFNHKSA-N 2 1 240.351 -0.035 20 0 BBADMP C[NH+](CCO)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000899732041 584234850 /nfs/dbraw/zinc/23/48/50/584234850.db2.gz CWDSEBDMQRTWCF-JTQLQIEISA-N 2 1 229.324 -0.879 20 0 BBADMP C[NH+](CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000899732041 584234847 /nfs/dbraw/zinc/23/48/47/584234847.db2.gz CWDSEBDMQRTWCF-JTQLQIEISA-N 2 1 229.324 -0.879 20 0 BBADMP C[N@@H+](CCO)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC000899732041 584234846 /nfs/dbraw/zinc/23/48/46/584234846.db2.gz CWDSEBDMQRTWCF-JTQLQIEISA-N 2 1 229.324 -0.879 20 0 BBADMP C[NH+](CCO)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC000899732042 584235160 /nfs/dbraw/zinc/23/51/60/584235160.db2.gz CWDSEBDMQRTWCF-SNVBAGLBSA-N 2 1 229.324 -0.879 20 0 BBADMP C[NH+](CCO)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC000899732042 584235157 /nfs/dbraw/zinc/23/51/57/584235157.db2.gz CWDSEBDMQRTWCF-SNVBAGLBSA-N 2 1 229.324 -0.879 20 0 BBADMP C[N@@H+](CCO)CCNC(=O)[C@H]1CCC[NH+]1C ZINC000899732042 584235154 /nfs/dbraw/zinc/23/51/54/584235154.db2.gz CWDSEBDMQRTWCF-SNVBAGLBSA-N 2 1 229.324 -0.879 20 0 BBADMP CC[NH+](CC)CC(=O)NCC[N@@H+](C)CCO ZINC000899732071 584229843 /nfs/dbraw/zinc/22/98/43/584229843.db2.gz UKLRXQLFZSERFN-UHFFFAOYSA-N 2 1 231.340 -0.632 20 0 BBADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)CCO ZINC000899732251 584234353 /nfs/dbraw/zinc/23/43/53/584234353.db2.gz FITCFRYLMCRPCT-UHFFFAOYSA-N 2 1 231.340 -0.633 20 0 BBADMP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)CCO ZINC000899732251 584234352 /nfs/dbraw/zinc/23/43/52/584234352.db2.gz FITCFRYLMCRPCT-UHFFFAOYSA-N 2 1 231.340 -0.633 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)CCO ZINC000899732251 584234351 /nfs/dbraw/zinc/23/43/51/584234351.db2.gz FITCFRYLMCRPCT-UHFFFAOYSA-N 2 1 231.340 -0.633 20 0 BBADMP C[NH+](C)CCCCC(=O)NCC[N@@H+](C)CCO ZINC000899732290 584234814 /nfs/dbraw/zinc/23/48/14/584234814.db2.gz GQQMSAPJJJLJAM-UHFFFAOYSA-N 2 1 245.367 -0.241 20 0 BBADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)CCO ZINC000899733259 584235008 /nfs/dbraw/zinc/23/50/08/584235008.db2.gz AACDIXBDTRRMRI-UHFFFAOYSA-N 2 1 231.340 -0.632 20 0 BBADMP CCC[NH+](C)CC(=O)NCC[N@H+](C)CCO ZINC000899733259 584235007 /nfs/dbraw/zinc/23/50/07/584235007.db2.gz AACDIXBDTRRMRI-UHFFFAOYSA-N 2 1 231.340 -0.632 20 0 BBADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)CCO ZINC000899733259 584235006 /nfs/dbraw/zinc/23/50/06/584235006.db2.gz AACDIXBDTRRMRI-UHFFFAOYSA-N 2 1 231.340 -0.632 20 0 BBADMP C[NH+](CCO)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000899733478 584235119 /nfs/dbraw/zinc/23/51/19/584235119.db2.gz CREKMXUCCLAQDX-LLVKDONJSA-N 2 1 243.351 -0.489 20 0 BBADMP C[NH+](CCO)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000899733478 584235116 /nfs/dbraw/zinc/23/51/16/584235116.db2.gz CREKMXUCCLAQDX-LLVKDONJSA-N 2 1 243.351 -0.489 20 0 BBADMP C[N@@H+](CCO)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC000899733478 584235114 /nfs/dbraw/zinc/23/51/14/584235114.db2.gz CREKMXUCCLAQDX-LLVKDONJSA-N 2 1 243.351 -0.489 20 0 BBADMP C[NH+](CCO)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000899733479 584235208 /nfs/dbraw/zinc/23/52/08/584235208.db2.gz CREKMXUCCLAQDX-NSHDSACASA-N 2 1 243.351 -0.489 20 0 BBADMP C[NH+](CCO)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000899733479 584235205 /nfs/dbraw/zinc/23/52/05/584235205.db2.gz CREKMXUCCLAQDX-NSHDSACASA-N 2 1 243.351 -0.489 20 0 BBADMP C[N@@H+](CCO)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC000899733479 584235202 /nfs/dbraw/zinc/23/52/02/584235202.db2.gz CREKMXUCCLAQDX-NSHDSACASA-N 2 1 243.351 -0.489 20 0 BBADMP CC(C)[C@H](C(=O)NCC[N@@H+](C)CCO)[NH+](C)C ZINC000899734038 584235769 /nfs/dbraw/zinc/23/57/69/584235769.db2.gz RUKURIAWBYFUTE-LLVKDONJSA-N 2 1 245.367 -0.387 20 0 BBADMP CC(C)[C@@H](C(=O)NCC[N@@H+](C)CCO)[NH+](C)C ZINC000899734039 584235476 /nfs/dbraw/zinc/23/54/76/584235476.db2.gz RUKURIAWBYFUTE-NSHDSACASA-N 2 1 245.367 -0.387 20 0 BBADMP CC[C@@H](C(=O)NCC[N@@H+](C)CCO)[NH+](C)C ZINC000899735099 584231790 /nfs/dbraw/zinc/23/17/90/584231790.db2.gz WWBCTARUOCFVTQ-JTQLQIEISA-N 2 1 231.340 -0.633 20 0 BBADMP CC[C@H](C(=O)NCC[N@@H+](C)CCO)[NH+](C)C ZINC000899735100 584231773 /nfs/dbraw/zinc/23/17/73/584231773.db2.gz WWBCTARUOCFVTQ-SNVBAGLBSA-N 2 1 231.340 -0.633 20 0 BBADMP CC[NH+](CC(=O)NCC[N@@H+](C)CCO)C1CC1 ZINC000899736686 584231659 /nfs/dbraw/zinc/23/16/59/584231659.db2.gz PFGUSLQZANKDNI-UHFFFAOYSA-N 2 1 243.351 -0.489 20 0 BBADMP CC[NH+](CC(=O)NCC[N@H+](C)CCO)C1CC1 ZINC000899736686 584231655 /nfs/dbraw/zinc/23/16/55/584231655.db2.gz PFGUSLQZANKDNI-UHFFFAOYSA-N 2 1 243.351 -0.489 20 0 BBADMP CC[N@@H+](CC(=O)NCC[NH+](C)CCO)C1CC1 ZINC000899736686 584231652 /nfs/dbraw/zinc/23/16/52/584231652.db2.gz PFGUSLQZANKDNI-UHFFFAOYSA-N 2 1 243.351 -0.489 20 0 BBADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)CCO)CC[NH+]1C ZINC000899737463 584233064 /nfs/dbraw/zinc/23/30/64/584233064.db2.gz IEZZKOHKOMAGLQ-GHMZBOCLSA-N 2 1 243.351 -0.633 20 0 BBADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)CCO)CC[NH+]1C ZINC000899737463 584233062 /nfs/dbraw/zinc/23/30/62/584233062.db2.gz IEZZKOHKOMAGLQ-GHMZBOCLSA-N 2 1 243.351 -0.633 20 0 BBADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CCO)CC[N@H+]1C ZINC000899737463 584233061 /nfs/dbraw/zinc/23/30/61/584233061.db2.gz IEZZKOHKOMAGLQ-GHMZBOCLSA-N 2 1 243.351 -0.633 20 0 BBADMP C[NH+](C)CC1(C(=O)NCC[N@@H+](C)CCO)CC1 ZINC000899737705 584233209 /nfs/dbraw/zinc/23/32/09/584233209.db2.gz MZLLQBSXGIMSOR-UHFFFAOYSA-N 2 1 243.351 -0.632 20 0 BBADMP C[NH+](C)C1(C(=O)NCC[N@@H+](C)CCO)CC1 ZINC000899739417 584233607 /nfs/dbraw/zinc/23/36/07/584233607.db2.gz XZDPLEPQWGTUPB-UHFFFAOYSA-N 2 1 229.324 -0.879 20 0 BBADMP C[NH+](CCO)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000899740008 584234209 /nfs/dbraw/zinc/23/42/09/584234209.db2.gz BSIDILYOQPYYKK-LLVKDONJSA-N 2 1 243.351 -0.632 20 0 BBADMP C[NH+](CCO)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000899740008 584234208 /nfs/dbraw/zinc/23/42/08/584234208.db2.gz BSIDILYOQPYYKK-LLVKDONJSA-N 2 1 243.351 -0.632 20 0 BBADMP C[N@@H+](CCO)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC000899740008 584234207 /nfs/dbraw/zinc/23/42/07/584234207.db2.gz BSIDILYOQPYYKK-LLVKDONJSA-N 2 1 243.351 -0.632 20 0 BBADMP C[NH+](CCO)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000899740009 584233618 /nfs/dbraw/zinc/23/36/18/584233618.db2.gz BSIDILYOQPYYKK-NSHDSACASA-N 2 1 243.351 -0.632 20 0 BBADMP C[NH+](CCO)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000899740009 584233617 /nfs/dbraw/zinc/23/36/17/584233617.db2.gz BSIDILYOQPYYKK-NSHDSACASA-N 2 1 243.351 -0.632 20 0 BBADMP C[N@@H+](CCO)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000899740009 584233615 /nfs/dbraw/zinc/23/36/15/584233615.db2.gz BSIDILYOQPYYKK-NSHDSACASA-N 2 1 243.351 -0.632 20 0 BBADMP C[NH+](CCO)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC000899740539 584233518 /nfs/dbraw/zinc/23/35/18/584233518.db2.gz LUONZWAIXMKGSL-UHFFFAOYSA-N 2 1 243.351 -0.489 20 0 BBADMP C[NH+](CCO)CCNC(=O)C[N@H+](C)C1CCC1 ZINC000899740539 584233515 /nfs/dbraw/zinc/23/35/15/584233515.db2.gz LUONZWAIXMKGSL-UHFFFAOYSA-N 2 1 243.351 -0.489 20 0 BBADMP C[NH+](CC(=O)NCC[N@@H+](C)CCO)C1CCC1 ZINC000899740539 584233514 /nfs/dbraw/zinc/23/35/14/584233514.db2.gz LUONZWAIXMKGSL-UHFFFAOYSA-N 2 1 243.351 -0.489 20 0 BBADMP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)CCO ZINC000899740610 584234181 /nfs/dbraw/zinc/23/41/81/584234181.db2.gz GAKJLWXFYMHUJW-UHFFFAOYSA-N 2 1 240.307 -0.768 20 0 BBADMP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)CCO ZINC000899740610 584234180 /nfs/dbraw/zinc/23/41/80/584234180.db2.gz GAKJLWXFYMHUJW-UHFFFAOYSA-N 2 1 240.307 -0.768 20 0 BBADMP C[NH+](C)CCCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000899919579 584251744 /nfs/dbraw/zinc/25/17/44/584251744.db2.gz BFQHNLBDEAENMW-CMPLNLGQSA-N 2 1 243.351 -0.491 20 0 BBADMP C[NH+](C)CCCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000899919580 584251795 /nfs/dbraw/zinc/25/17/95/584251795.db2.gz BFQHNLBDEAENMW-JQWIXIFHSA-N 2 1 243.351 -0.491 20 0 BBADMP C[NH+](C)CCCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000899919581 584251818 /nfs/dbraw/zinc/25/18/18/584251818.db2.gz BFQHNLBDEAENMW-PWSUYJOCSA-N 2 1 243.351 -0.491 20 0 BBADMP C[NH+](C)CCCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000899919582 584252298 /nfs/dbraw/zinc/25/22/98/584252298.db2.gz BFQHNLBDEAENMW-ZYHUDNBSSA-N 2 1 243.351 -0.491 20 0 BBADMP C[NH+](C)CCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000899920082 584252316 /nfs/dbraw/zinc/25/23/16/584252316.db2.gz IKIHQVJJKJMIJZ-GXSJLCMTSA-N 2 1 229.324 -0.881 20 0 BBADMP C[NH+](C)CCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000899920083 584252321 /nfs/dbraw/zinc/25/23/21/584252321.db2.gz IKIHQVJJKJMIJZ-KOLCDFICSA-N 2 1 229.324 -0.881 20 0 BBADMP C[NH+](C)CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000899920084 584252350 /nfs/dbraw/zinc/25/23/50/584252350.db2.gz IKIHQVJJKJMIJZ-MWLCHTKSSA-N 2 1 229.324 -0.881 20 0 BBADMP C[NH+](C)CCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000899920085 584252601 /nfs/dbraw/zinc/25/26/01/584252601.db2.gz IKIHQVJJKJMIJZ-ONGXEEELSA-N 2 1 229.324 -0.881 20 0 BBADMP C[NH+](C)CCNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000899920932 584252039 /nfs/dbraw/zinc/25/20/39/584252039.db2.gz VKLOHHPJEBYSQL-GFCCVEGCSA-N 2 1 243.351 -0.489 20 0 BBADMP C[NH+](C)CCNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000899920933 584252056 /nfs/dbraw/zinc/25/20/56/584252056.db2.gz VKLOHHPJEBYSQL-LBPRGKRZSA-N 2 1 243.351 -0.489 20 0 BBADMP C[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)[NH+](C)C ZINC000900163976 584281619 /nfs/dbraw/zinc/28/16/19/584281619.db2.gz WJZXCDUUOGGVAT-CKYFFXLPSA-N 2 1 243.351 -0.492 20 0 BBADMP C[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)[NH+](C)C ZINC000900163977 584281689 /nfs/dbraw/zinc/28/16/89/584281689.db2.gz WJZXCDUUOGGVAT-FOGDFJRCSA-N 2 1 243.351 -0.492 20 0 BBADMP C[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C)[NH+](C)C ZINC000900164105 584281573 /nfs/dbraw/zinc/28/15/73/584281573.db2.gz WJZXCDUUOGGVAT-JFGNBEQYSA-N 2 1 243.351 -0.492 20 0 BBADMP C[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)[NH+](C)C ZINC000900164107 584281551 /nfs/dbraw/zinc/28/15/51/584281551.db2.gz WJZXCDUUOGGVAT-SCVCMEIPSA-N 2 1 243.351 -0.492 20 0 BBADMP CN(CC[NH+](C)C)C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900927818 637211107 /nfs/dbraw/zinc/21/11/07/637211107.db2.gz SSZLSGIZEJNEQO-CMPLNLGQSA-N 2 1 243.351 -0.539 20 0 BBADMP CN(CC[NH+](C)C)C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900927820 637210975 /nfs/dbraw/zinc/21/09/75/637210975.db2.gz SSZLSGIZEJNEQO-JQWIXIFHSA-N 2 1 243.351 -0.539 20 0 BBADMP CN(CC[NH+](C)C)C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900927822 637213369 /nfs/dbraw/zinc/21/33/69/637213369.db2.gz SSZLSGIZEJNEQO-PWSUYJOCSA-N 2 1 243.351 -0.539 20 0 BBADMP CN(CC[NH+](C)C)C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900927824 637212234 /nfs/dbraw/zinc/21/22/34/637212234.db2.gz SSZLSGIZEJNEQO-ZYHUDNBSSA-N 2 1 243.351 -0.539 20 0 BBADMP Cn1nnnc1CCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000902456368 584609907 /nfs/dbraw/zinc/60/99/07/584609907.db2.gz OMDZBVTWIHMOGX-SECBINFHSA-N 2 1 238.339 -0.127 20 0 BBADMP Cn1nnnc1CCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000902456377 584610534 /nfs/dbraw/zinc/61/05/34/584610534.db2.gz OMDZBVTWIHMOGX-VIFPVBQESA-N 2 1 238.339 -0.127 20 0 BBADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCc1nnnn1C ZINC000902457565 584610415 /nfs/dbraw/zinc/61/04/15/584610415.db2.gz UULHZSHASZNKJY-NXEZZACHSA-N 2 1 238.339 -0.127 20 0 BBADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCc1nnnn1C ZINC000902457566 584610161 /nfs/dbraw/zinc/61/01/61/584610161.db2.gz UULHZSHASZNKJY-UWVGGRQHSA-N 2 1 238.339 -0.127 20 0 BBADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCc1nnnn1C ZINC000902457567 584610231 /nfs/dbraw/zinc/61/02/31/584610231.db2.gz UULHZSHASZNKJY-VHSXEESVSA-N 2 1 238.339 -0.127 20 0 BBADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCc1nnnn1C ZINC000902457568 584610288 /nfs/dbraw/zinc/61/02/88/584610288.db2.gz UULHZSHASZNKJY-ZJUUUORDSA-N 2 1 238.339 -0.127 20 0 BBADMP C[C@H]([NH2+]CCCc1nnnn1C)[C@@H]1CCC[NH2+]1 ZINC000902458029 584610262 /nfs/dbraw/zinc/61/02/62/584610262.db2.gz WTIGLYOXZPAVCT-UWVGGRQHSA-N 2 1 238.339 -0.127 20 0 BBADMP C[C@@H]([NH2+]CCCc1nnnn1C)[C@@H]1CCC[NH2+]1 ZINC000902458032 584610055 /nfs/dbraw/zinc/61/00/55/584610055.db2.gz WTIGLYOXZPAVCT-ZJUUUORDSA-N 2 1 238.339 -0.127 20 0 BBADMP C[C@@H]([NH2+]CCCc1nnnn1C)[C@H]1CCC[NH2+]1 ZINC000902462643 584612167 /nfs/dbraw/zinc/61/21/67/584612167.db2.gz WTIGLYOXZPAVCT-NXEZZACHSA-N 2 1 238.339 -0.127 20 0 BBADMP C[C@H]([NH2+]CCCc1nnnn1C)[C@H]1CCC[NH2+]1 ZINC000902462644 584612250 /nfs/dbraw/zinc/61/22/50/584612250.db2.gz WTIGLYOXZPAVCT-VHSXEESVSA-N 2 1 238.339 -0.127 20 0 BBADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCc1nnnn1C ZINC000902463011 584612181 /nfs/dbraw/zinc/61/21/81/584612181.db2.gz YRXCKRXSCVLVAD-NXEZZACHSA-N 2 1 238.339 -0.270 20 0 BBADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCc1nnnn1C ZINC000902463013 584612476 /nfs/dbraw/zinc/61/24/76/584612476.db2.gz YRXCKRXSCVLVAD-UWVGGRQHSA-N 2 1 238.339 -0.270 20 0 BBADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCc1nnnn1C ZINC000902463015 584612563 /nfs/dbraw/zinc/61/25/63/584612563.db2.gz YRXCKRXSCVLVAD-VHSXEESVSA-N 2 1 238.339 -0.270 20 0 BBADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCc1nnnn1C ZINC000902463017 584612482 /nfs/dbraw/zinc/61/24/82/584612482.db2.gz YRXCKRXSCVLVAD-ZJUUUORDSA-N 2 1 238.339 -0.270 20 0 BBADMP COC[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000902515564 584629505 /nfs/dbraw/zinc/62/95/05/584629505.db2.gz WPZUPUFCZYAYTN-GUBZILKMSA-N 2 1 202.298 -0.276 20 0 BBADMP COC[C@@H](O)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000902515565 584629448 /nfs/dbraw/zinc/62/94/48/584629448.db2.gz WPZUPUFCZYAYTN-KXUCPTDWSA-N 2 1 202.298 -0.276 20 0 BBADMP COC[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000902515566 584629507 /nfs/dbraw/zinc/62/95/07/584629507.db2.gz WPZUPUFCZYAYTN-LPEHRKFASA-N 2 1 202.298 -0.276 20 0 BBADMP COC[C@@H](O)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000902515568 584629679 /nfs/dbraw/zinc/62/96/79/584629679.db2.gz WPZUPUFCZYAYTN-UTLUCORTSA-N 2 1 202.298 -0.276 20 0 BBADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)CO)CC1(C)C ZINC000902727517 584661396 /nfs/dbraw/zinc/66/13/96/584661396.db2.gz XAYHAMQWLGCQAQ-NXEZZACHSA-N 2 1 216.325 -0.198 20 0 BBADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CO)CC1(C)C ZINC000902727518 584661352 /nfs/dbraw/zinc/66/13/52/584661352.db2.gz XAYHAMQWLGCQAQ-VHSXEESVSA-N 2 1 216.325 -0.198 20 0 BBADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000902935566 584700207 /nfs/dbraw/zinc/70/02/07/584700207.db2.gz XCFLEDFWNFIRKX-AOOOYVTPSA-N 2 1 226.324 -0.306 20 0 BBADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000902935566 584700206 /nfs/dbraw/zinc/70/02/06/584700206.db2.gz XCFLEDFWNFIRKX-AOOOYVTPSA-N 2 1 226.324 -0.306 20 0 BBADMP C[NH+]1CC[C@H]1CNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000902935566 584700205 /nfs/dbraw/zinc/70/02/05/584700205.db2.gz XCFLEDFWNFIRKX-AOOOYVTPSA-N 2 1 226.324 -0.306 20 0 BBADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000902935567 584700217 /nfs/dbraw/zinc/70/02/17/584700217.db2.gz XCFLEDFWNFIRKX-NXEZZACHSA-N 2 1 226.324 -0.306 20 0 BBADMP C[NH+]1CC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000902935568 584700435 /nfs/dbraw/zinc/70/04/35/584700435.db2.gz XCFLEDFWNFIRKX-UWVGGRQHSA-N 2 1 226.324 -0.306 20 0 BBADMP CON1CC[C@@H]([N@H+]2CCC[C@H](C[NH3+])C2)C1=O ZINC000903422285 584764551 /nfs/dbraw/zinc/76/45/51/584764551.db2.gz XAVZNULIITZPSI-NXEZZACHSA-N 2 1 227.308 -0.181 20 0 BBADMP CON1CC[C@@H]([N@@H+]2CCC[C@H](C[NH3+])C2)C1=O ZINC000903422285 584764550 /nfs/dbraw/zinc/76/45/50/584764550.db2.gz XAVZNULIITZPSI-NXEZZACHSA-N 2 1 227.308 -0.181 20 0 BBADMP CON1CC[C@H]([N@H+]2CCC[C@@H](C[NH3+])C2)C1=O ZINC000903422286 584764548 /nfs/dbraw/zinc/76/45/48/584764548.db2.gz XAVZNULIITZPSI-UWVGGRQHSA-N 2 1 227.308 -0.181 20 0 BBADMP CON1CC[C@H]([N@@H+]2CCC[C@@H](C[NH3+])C2)C1=O ZINC000903422286 584764547 /nfs/dbraw/zinc/76/45/47/584764547.db2.gz XAVZNULIITZPSI-UWVGGRQHSA-N 2 1 227.308 -0.181 20 0 BBADMP CON1CC[C@@H]([N@H+]2CCC[C@@H](C[NH3+])C2)C1=O ZINC000903422287 584764286 /nfs/dbraw/zinc/76/42/86/584764286.db2.gz XAVZNULIITZPSI-VHSXEESVSA-N 2 1 227.308 -0.181 20 0 BBADMP CON1CC[C@@H]([N@@H+]2CCC[C@@H](C[NH3+])C2)C1=O ZINC000903422287 584764284 /nfs/dbraw/zinc/76/42/84/584764284.db2.gz XAVZNULIITZPSI-VHSXEESVSA-N 2 1 227.308 -0.181 20 0 BBADMP CON1CC[C@H]([N@H+]2CCC[C@H](C[NH3+])C2)C1=O ZINC000903422288 584764620 /nfs/dbraw/zinc/76/46/20/584764620.db2.gz XAVZNULIITZPSI-ZJUUUORDSA-N 2 1 227.308 -0.181 20 0 BBADMP CON1CC[C@H]([N@@H+]2CCC[C@H](C[NH3+])C2)C1=O ZINC000903422288 584764619 /nfs/dbraw/zinc/76/46/19/584764619.db2.gz XAVZNULIITZPSI-ZJUUUORDSA-N 2 1 227.308 -0.181 20 0 BBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903422878 584764196 /nfs/dbraw/zinc/76/41/96/584764196.db2.gz LCAZOLOLCSMBQZ-OLZOCXBDSA-N 3 1 240.395 -0.049 20 0 BBADMP C[C@@H]1C[NH2+]C[C@H]1CN(C)CCN1CC[NH2+]CC1 ZINC000903423376 584764581 /nfs/dbraw/zinc/76/45/81/584764581.db2.gz TTYHSGRXDVCLGI-OLZOCXBDSA-N 2 1 240.395 -0.321 20 0 BBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000903423376 584764580 /nfs/dbraw/zinc/76/45/80/584764580.db2.gz TTYHSGRXDVCLGI-OLZOCXBDSA-N 3 1 240.395 -0.321 20 0 BBADMP CON1CC[C@H]([N@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000903423485 584764587 /nfs/dbraw/zinc/76/45/87/584764587.db2.gz VTMPFVYVBOKVQO-BDAKNGLRSA-N 2 1 213.281 -0.571 20 0 BBADMP CON1CC[C@H]([N@@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000903423485 584764586 /nfs/dbraw/zinc/76/45/86/584764586.db2.gz VTMPFVYVBOKVQO-BDAKNGLRSA-N 2 1 213.281 -0.571 20 0 BBADMP CON1CC[C@@H]([N@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000903423499 584764634 /nfs/dbraw/zinc/76/46/34/584764634.db2.gz VTMPFVYVBOKVQO-DTWKUNHWSA-N 2 1 213.281 -0.571 20 0 BBADMP CON1CC[C@@H]([N@@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000903423499 584764633 /nfs/dbraw/zinc/76/46/33/584764633.db2.gz VTMPFVYVBOKVQO-DTWKUNHWSA-N 2 1 213.281 -0.571 20 0 BBADMP CON1CC[C@H]([N@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000903423502 584764806 /nfs/dbraw/zinc/76/48/06/584764806.db2.gz VTMPFVYVBOKVQO-IUCAKERBSA-N 2 1 213.281 -0.571 20 0 BBADMP CON1CC[C@H]([N@@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000903423502 584764805 /nfs/dbraw/zinc/76/48/05/584764805.db2.gz VTMPFVYVBOKVQO-IUCAKERBSA-N 2 1 213.281 -0.571 20 0 BBADMP CON1CC[C@@H]([N@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000903423505 584764571 /nfs/dbraw/zinc/76/45/71/584764571.db2.gz VTMPFVYVBOKVQO-RKDXNWHRSA-N 2 1 213.281 -0.571 20 0 BBADMP CON1CC[C@@H]([N@@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000903423505 584764570 /nfs/dbraw/zinc/76/45/70/584764570.db2.gz VTMPFVYVBOKVQO-RKDXNWHRSA-N 2 1 213.281 -0.571 20 0 BBADMP NC(=O)[C@@H]1C[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC000903435164 584762397 /nfs/dbraw/zinc/76/23/97/584762397.db2.gz PVQLCIMFSNHAFS-AEJSXWLSSA-N 2 1 227.308 -0.700 20 0 BBADMP NC(=O)[C@H]1C[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC000903435166 584762249 /nfs/dbraw/zinc/76/22/49/584762249.db2.gz PVQLCIMFSNHAFS-IVZWLZJFSA-N 2 1 227.308 -0.700 20 0 BBADMP CON1CC[C@H]([N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)C1=O ZINC000903447244 584770791 /nfs/dbraw/zinc/77/07/91/584770791.db2.gz KXECHVZWSPNFRF-AEJSXWLSSA-N 2 1 227.308 -0.182 20 0 BBADMP CON1CC[C@H]([N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)C1=O ZINC000903447244 584770790 /nfs/dbraw/zinc/77/07/90/584770790.db2.gz KXECHVZWSPNFRF-AEJSXWLSSA-N 2 1 227.308 -0.182 20 0 BBADMP CON1CC[C@H]([N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)C1=O ZINC000903447245 584770751 /nfs/dbraw/zinc/77/07/51/584770751.db2.gz KXECHVZWSPNFRF-BBBLOLIVSA-N 2 1 227.308 -0.182 20 0 BBADMP CON1CC[C@H]([N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)C1=O ZINC000903447245 584770750 /nfs/dbraw/zinc/77/07/50/584770750.db2.gz KXECHVZWSPNFRF-BBBLOLIVSA-N 2 1 227.308 -0.182 20 0 BBADMP CON1CC[C@H]([N@H+]2CC[C@H]([C@H](C)[NH3+])C2)C1=O ZINC000903447246 584770859 /nfs/dbraw/zinc/77/08/59/584770859.db2.gz KXECHVZWSPNFRF-GUBZILKMSA-N 2 1 227.308 -0.182 20 0 BBADMP CON1CC[C@H]([N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)C1=O ZINC000903447246 584770858 /nfs/dbraw/zinc/77/08/58/584770858.db2.gz KXECHVZWSPNFRF-GUBZILKMSA-N 2 1 227.308 -0.182 20 0 BBADMP CON1CC[C@H]([N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)C1=O ZINC000903447247 584770836 /nfs/dbraw/zinc/77/08/36/584770836.db2.gz KXECHVZWSPNFRF-UTLUCORTSA-N 2 1 227.308 -0.182 20 0 BBADMP CON1CC[C@H]([N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)C1=O ZINC000903447247 584770835 /nfs/dbraw/zinc/77/08/35/584770835.db2.gz KXECHVZWSPNFRF-UTLUCORTSA-N 2 1 227.308 -0.182 20 0 BBADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903448651 584771266 /nfs/dbraw/zinc/77/12/66/584771266.db2.gz HXCPBBRRGZHILC-VWYCJHECSA-N 3 1 213.325 -0.227 20 0 BBADMP [NH3+]C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903448651 584771265 /nfs/dbraw/zinc/77/12/65/584771265.db2.gz HXCPBBRRGZHILC-VWYCJHECSA-N 3 1 213.325 -0.227 20 0 BBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903449827 584771058 /nfs/dbraw/zinc/77/10/58/584771058.db2.gz HVSCGYPLMMLDPG-KXNHARMFSA-N 3 1 209.337 -0.007 20 0 BBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903449827 584771056 /nfs/dbraw/zinc/77/10/56/584771056.db2.gz HVSCGYPLMMLDPG-KXNHARMFSA-N 3 1 209.337 -0.007 20 0 BBADMP CON1CC[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000903450619 584771770 /nfs/dbraw/zinc/77/17/70/584771770.db2.gz YGAFOSARAWZWBF-AEJSXWLSSA-N 2 1 225.292 -0.700 20 0 BBADMP CON1CC[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000903450619 584771768 /nfs/dbraw/zinc/77/17/68/584771768.db2.gz YGAFOSARAWZWBF-AEJSXWLSSA-N 2 1 225.292 -0.700 20 0 BBADMP CON1CC[C@@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000903450620 584772351 /nfs/dbraw/zinc/77/23/51/584772351.db2.gz YGAFOSARAWZWBF-KXUCPTDWSA-N 2 1 225.292 -0.700 20 0 BBADMP CON1CC[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000903450620 584772350 /nfs/dbraw/zinc/77/23/50/584772350.db2.gz YGAFOSARAWZWBF-KXUCPTDWSA-N 2 1 225.292 -0.700 20 0 BBADMP CON1CC[C@H]([N@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000903452298 584771832 /nfs/dbraw/zinc/77/18/32/584771832.db2.gz KYSDGBZRRVJYER-GXSJLCMTSA-N 2 1 227.308 -0.181 20 0 BBADMP CON1CC[C@H]([N@@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000903452298 584771831 /nfs/dbraw/zinc/77/18/31/584771831.db2.gz KYSDGBZRRVJYER-GXSJLCMTSA-N 2 1 227.308 -0.181 20 0 BBADMP CON1CC[C@@H]([N@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000903452299 584772200 /nfs/dbraw/zinc/77/22/00/584772200.db2.gz KYSDGBZRRVJYER-KOLCDFICSA-N 2 1 227.308 -0.181 20 0 BBADMP CON1CC[C@@H]([N@@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000903452299 584772199 /nfs/dbraw/zinc/77/21/99/584772199.db2.gz KYSDGBZRRVJYER-KOLCDFICSA-N 2 1 227.308 -0.181 20 0 BBADMP CON1CC[C@@H]([N@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000903452300 584772305 /nfs/dbraw/zinc/77/23/05/584772305.db2.gz KYSDGBZRRVJYER-MWLCHTKSSA-N 2 1 227.308 -0.181 20 0 BBADMP CON1CC[C@@H]([N@@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000903452300 584772304 /nfs/dbraw/zinc/77/23/04/584772304.db2.gz KYSDGBZRRVJYER-MWLCHTKSSA-N 2 1 227.308 -0.181 20 0 BBADMP CON1CC[C@H]([N@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000903452301 584771732 /nfs/dbraw/zinc/77/17/32/584771732.db2.gz KYSDGBZRRVJYER-ONGXEEELSA-N 2 1 227.308 -0.181 20 0 BBADMP CON1CC[C@H]([N@@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000903452301 584771730 /nfs/dbraw/zinc/77/17/30/584771730.db2.gz KYSDGBZRRVJYER-ONGXEEELSA-N 2 1 227.308 -0.181 20 0 BBADMP OC[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903453949 584772567 /nfs/dbraw/zinc/77/25/67/584772567.db2.gz QCLGNMUIIMBVKT-QWRGUYRKSA-N 2 1 226.320 -0.036 20 0 BBADMP OC[C@@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903453950 584772917 /nfs/dbraw/zinc/77/29/17/584772917.db2.gz QCLGNMUIIMBVKT-WDEREUQCSA-N 2 1 226.320 -0.036 20 0 BBADMP O=C(CC[N@@H+]1CCC[C@H]1CO)N1CC[NH2+]CC1 ZINC000903454336 584773320 /nfs/dbraw/zinc/77/33/20/584773320.db2.gz YGODAAXADRDBLE-NSHDSACASA-N 2 1 241.335 -0.735 20 0 BBADMP NS(=O)(=O)[C@H]1CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000903454884 584773704 /nfs/dbraw/zinc/77/37/04/584773704.db2.gz MIRXRLUPXTZQQV-AEJSXWLSSA-N 2 1 247.364 -0.523 20 0 BBADMP NS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000903454885 584773499 /nfs/dbraw/zinc/77/34/99/584773499.db2.gz MIRXRLUPXTZQQV-IVZWLZJFSA-N 2 1 247.364 -0.523 20 0 BBADMP COC(=O)[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903454939 584773467 /nfs/dbraw/zinc/77/34/67/584773467.db2.gz OHQPULLMXBRLOQ-OUAUKWLOSA-N 2 1 242.319 -0.012 20 0 BBADMP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903454940 584773220 /nfs/dbraw/zinc/77/32/20/584773220.db2.gz OHQPULLMXBRLOQ-VWYCJHECSA-N 2 1 242.319 -0.012 20 0 BBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000903455161 584774105 /nfs/dbraw/zinc/77/41/05/584774105.db2.gz RYWAWXIPWPONTM-KXUCPTDWSA-N 2 1 247.364 -0.795 20 0 BBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000903455161 584774103 /nfs/dbraw/zinc/77/41/03/584774103.db2.gz RYWAWXIPWPONTM-KXUCPTDWSA-N 2 1 247.364 -0.795 20 0 BBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000903455162 584774152 /nfs/dbraw/zinc/77/41/52/584774152.db2.gz RYWAWXIPWPONTM-UTLUCORTSA-N 2 1 247.364 -0.795 20 0 BBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000903455162 584774150 /nfs/dbraw/zinc/77/41/50/584774150.db2.gz RYWAWXIPWPONTM-UTLUCORTSA-N 2 1 247.364 -0.795 20 0 BBADMP CNC(=O)[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903456278 584774231 /nfs/dbraw/zinc/77/42/31/584774231.db2.gz FJAVUCMKKJBTDE-OUAUKWLOSA-N 2 1 241.335 -0.439 20 0 BBADMP CNC(=O)[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903456279 584774374 /nfs/dbraw/zinc/77/43/74/584774374.db2.gz FJAVUCMKKJBTDE-VWYCJHECSA-N 2 1 241.335 -0.439 20 0 BBADMP C[C@@H]1C[NH2+]C[C@H]1CN1CCC(O)(C[NH3+])CC1 ZINC000903459847 584766949 /nfs/dbraw/zinc/76/69/49/584766949.db2.gz OSEIZIPYENRVMB-MNOVXSKESA-N 2 1 227.352 -0.373 20 0 BBADMP [NH3+][C@@H]1CC[C@H](CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000903463443 637364223 /nfs/dbraw/zinc/36/42/23/637364223.db2.gz BDIWAFOVVHISQW-QNWHQSFQSA-N 2 1 239.363 -0.135 20 0 BBADMP [NH3+][C@@H]1CC[C@H](CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000903463443 637364214 /nfs/dbraw/zinc/36/42/14/637364214.db2.gz BDIWAFOVVHISQW-QNWHQSFQSA-N 2 1 239.363 -0.135 20 0 BBADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000903463443 637364206 /nfs/dbraw/zinc/36/42/06/637364206.db2.gz BDIWAFOVVHISQW-QNWHQSFQSA-N 2 1 239.363 -0.135 20 0 BBADMP C[C@@H]1C[NH2+]C[C@H]1CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000903463856 637364114 /nfs/dbraw/zinc/36/41/14/637364114.db2.gz PRBVSASLFSZYRK-MROQNXINSA-N 2 1 239.363 -0.407 20 0 BBADMP NS(=O)(=O)CCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903471002 584775595 /nfs/dbraw/zinc/77/55/95/584775595.db2.gz GFWROJQJHFYREP-SECBINFHSA-N 2 1 247.364 -0.461 20 0 BBADMP NS(=O)(=O)CCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903471003 584775637 /nfs/dbraw/zinc/77/56/37/584775637.db2.gz GFWROJQJHFYREP-VIFPVBQESA-N 2 1 247.364 -0.461 20 0 BBADMP C[C@@H]1C[NH2+]C[C@H]1CN(C)CCOCC[NH3+] ZINC000903474003 584776744 /nfs/dbraw/zinc/77/67/44/584776744.db2.gz DPCDNZPLSQAHFY-MNOVXSKESA-N 2 1 215.341 -0.251 20 0 BBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CCOCC[NH3+] ZINC000903474003 584776743 /nfs/dbraw/zinc/77/67/43/584776743.db2.gz DPCDNZPLSQAHFY-MNOVXSKESA-N 3 1 215.341 -0.251 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)[C@H]1CCN(OC)C1=O ZINC000903474453 584776898 /nfs/dbraw/zinc/77/68/98/584776898.db2.gz MYWGIKBIOSOTHR-JTQLQIEISA-N 2 1 245.323 -0.684 20 0 BBADMP C[NH2+]CCOCC[N@H+](C)[C@H]1CCN(OC)C1=O ZINC000903474453 584776896 /nfs/dbraw/zinc/77/68/96/584776896.db2.gz MYWGIKBIOSOTHR-JTQLQIEISA-N 2 1 245.323 -0.684 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)[C@@H]1CCN(OC)C1=O ZINC000903474454 584776859 /nfs/dbraw/zinc/77/68/59/584776859.db2.gz MYWGIKBIOSOTHR-SNVBAGLBSA-N 2 1 245.323 -0.684 20 0 BBADMP C[NH2+]CCOCC[N@H+](C)[C@@H]1CCN(OC)C1=O ZINC000903474454 584776857 /nfs/dbraw/zinc/77/68/57/584776857.db2.gz MYWGIKBIOSOTHR-SNVBAGLBSA-N 2 1 245.323 -0.684 20 0 BBADMP CON1CC[C@@H]([N@@H+](C)CCOCC[NH3+])C1=O ZINC000903474527 584776877 /nfs/dbraw/zinc/77/68/77/584776877.db2.gz NQPUHOVITUHUEG-SECBINFHSA-N 2 1 231.296 -0.944 20 0 BBADMP CON1CC[C@@H]([N@H+](C)CCOCC[NH3+])C1=O ZINC000903474527 584776875 /nfs/dbraw/zinc/77/68/75/584776875.db2.gz NQPUHOVITUHUEG-SECBINFHSA-N 2 1 231.296 -0.944 20 0 BBADMP CON1CC[C@H]([N@@H+](C)CCOCC[NH3+])C1=O ZINC000903474529 584777058 /nfs/dbraw/zinc/77/70/58/584777058.db2.gz NQPUHOVITUHUEG-VIFPVBQESA-N 2 1 231.296 -0.944 20 0 BBADMP CON1CC[C@H]([N@H+](C)CCOCC[NH3+])C1=O ZINC000903474529 584777057 /nfs/dbraw/zinc/77/70/57/584777057.db2.gz NQPUHOVITUHUEG-VIFPVBQESA-N 2 1 231.296 -0.944 20 0 BBADMP NC(=O)C[C@H]1C[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC000903474554 584777015 /nfs/dbraw/zinc/77/70/15/584777015.db2.gz OPIAYWZQNXTBPH-AXFHLTTASA-N 2 1 241.335 -0.310 20 0 BBADMP NC(=O)C[C@@H]1C[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC000903474555 584776902 /nfs/dbraw/zinc/77/69/02/584776902.db2.gz OPIAYWZQNXTBPH-HBNTYKKESA-N 2 1 241.335 -0.310 20 0 BBADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H](O)[C@@H](O)C2)C1 ZINC000903476008 584776637 /nfs/dbraw/zinc/77/66/37/584776637.db2.gz KTOPSQBTMFFVJZ-ZDCRXTMVSA-N 2 1 214.309 -0.459 20 0 BBADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000903476185 584777413 /nfs/dbraw/zinc/77/74/13/584777413.db2.gz PHSROBIIKZJBGM-YTWAJWBKSA-N 2 1 214.309 -0.731 20 0 BBADMP CON1CC[C@H]([N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)C1=O ZINC000903476865 584777467 /nfs/dbraw/zinc/77/74/67/584777467.db2.gz MOCBLARHONLTFB-BBBLOLIVSA-N 2 1 227.308 -0.325 20 0 BBADMP CON1CC[C@H]([N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)C1=O ZINC000903476865 584777466 /nfs/dbraw/zinc/77/74/66/584777466.db2.gz MOCBLARHONLTFB-BBBLOLIVSA-N 2 1 227.308 -0.325 20 0 BBADMP CON1CC[C@@H]([N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1=O ZINC000903478965 584777757 /nfs/dbraw/zinc/77/77/57/584777757.db2.gz NYTOOKJMLJWOQB-HOSYDEDBSA-N 2 1 239.319 -0.310 20 0 BBADMP CON1CC[C@@H]([N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1=O ZINC000903478965 584777756 /nfs/dbraw/zinc/77/77/56/584777756.db2.gz NYTOOKJMLJWOQB-HOSYDEDBSA-N 2 1 239.319 -0.310 20 0 BBADMP CON1CC[C@H]([N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1=O ZINC000903478966 584778130 /nfs/dbraw/zinc/77/81/30/584778130.db2.gz NYTOOKJMLJWOQB-JBLDHEPKSA-N 2 1 239.319 -0.310 20 0 BBADMP CON1CC[C@H]([N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1=O ZINC000903478966 584778129 /nfs/dbraw/zinc/77/81/29/584778129.db2.gz NYTOOKJMLJWOQB-JBLDHEPKSA-N 2 1 239.319 -0.310 20 0 BBADMP CON1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C2(C)C)C1=O ZINC000903482650 584778861 /nfs/dbraw/zinc/77/88/61/584778861.db2.gz OFFQEGDEOJXBNU-CIUDSAMLSA-N 2 1 227.308 -0.136 20 0 BBADMP CON1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)C1=O ZINC000903482651 584778689 /nfs/dbraw/zinc/77/86/89/584778689.db2.gz OFFQEGDEOJXBNU-DJLDLDEBSA-N 2 1 227.308 -0.136 20 0 BBADMP CON1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)C1=O ZINC000903482652 584778872 /nfs/dbraw/zinc/77/88/72/584778872.db2.gz OFFQEGDEOJXBNU-XHNCKOQMSA-N 2 1 227.308 -0.136 20 0 BBADMP CON1CC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)C1=O ZINC000903482653 584778895 /nfs/dbraw/zinc/77/88/95/584778895.db2.gz OFFQEGDEOJXBNU-YIZRAAEISA-N 2 1 227.308 -0.136 20 0 BBADMP COC[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903482925 584778806 /nfs/dbraw/zinc/77/88/06/584778806.db2.gz YSCMSMIZFZLWLI-UTLUCORTSA-N 2 1 229.324 -0.454 20 0 BBADMP OC[C@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903490994 584781104 /nfs/dbraw/zinc/78/11/04/584781104.db2.gz QCLGNMUIIMBVKT-GHMZBOCLSA-N 2 1 226.320 -0.036 20 0 BBADMP OC[C@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903490995 584780989 /nfs/dbraw/zinc/78/09/89/584780989.db2.gz QCLGNMUIIMBVKT-MNOVXSKESA-N 2 1 226.320 -0.036 20 0 BBADMP O=C(CC[N@@H+]1CCC[C@@H]1CO)N1CC[NH2+]CC1 ZINC000903491167 584780969 /nfs/dbraw/zinc/78/09/69/584780969.db2.gz YGODAAXADRDBLE-LLVKDONJSA-N 2 1 241.335 -0.735 20 0 BBADMP COCC[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492285 584781004 /nfs/dbraw/zinc/78/10/04/584781004.db2.gz LNIARGNGEPAVAM-UMNHJUIQSA-N 2 1 242.319 -0.155 20 0 BBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCC[NH3+])C2 ZINC000903493243 584780831 /nfs/dbraw/zinc/78/08/31/584780831.db2.gz QKAIEUNDDUSJHB-UMNHJUIQSA-N 3 1 241.335 -0.453 20 0 BBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCN)C2 ZINC000903493252 584781119 /nfs/dbraw/zinc/78/11/19/584781119.db2.gz QVKGQAKGNAQQDR-NGZCFLSTSA-N 2 1 227.308 -0.843 20 0 BBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCN)C2 ZINC000903493252 584781118 /nfs/dbraw/zinc/78/11/18/584781118.db2.gz QVKGQAKGNAQQDR-NGZCFLSTSA-N 2 1 227.308 -0.843 20 0 BBADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CC[NH3+] ZINC000903496895 584781052 /nfs/dbraw/zinc/78/10/52/584781052.db2.gz IZMVWKSJEIMPJR-NXEZZACHSA-N 2 1 249.380 -0.548 20 0 BBADMP C[C@@H]1C[N@@H+](CCCS(N)(=O)=O)C[C@H]1CC[NH3+] ZINC000903498499 584779935 /nfs/dbraw/zinc/77/99/35/584779935.db2.gz INVJEZAKXFBUEB-NXEZZACHSA-N 2 1 249.380 -0.418 20 0 BBADMP C[C@@H]1C[N@@H+](CCc2nnnn2C)C[C@H]1CC[NH3+] ZINC000903498884 584779979 /nfs/dbraw/zinc/77/99/79/584779979.db2.gz MOLRQQAJTNWDQT-NXEZZACHSA-N 2 1 238.339 -0.331 20 0 BBADMP C[C@@H]1C[N@@H+](CCOCC[NH3+])C[C@H]1CC[NH3+] ZINC000903499154 584780013 /nfs/dbraw/zinc/78/00/13/584780013.db2.gz HWHRRYYJBRFSNY-GHMZBOCLSA-N 3 1 215.341 -0.122 20 0 BBADMP C[C@@H]1C[N@@H+](C[C@H]2CNCCO2)C[C@H]1CC[NH3+] ZINC000903499361 584780286 /nfs/dbraw/zinc/78/02/86/584780286.db2.gz RUBCLCKEMXDHKO-IJLUTSLNSA-N 3 1 227.352 -0.109 20 0 BBADMP C[C@@H]1C[N@@H+](C[C@@H]2CNCCO2)C[C@H]1CC[NH3+] ZINC000903499363 584779809 /nfs/dbraw/zinc/77/98/09/584779809.db2.gz RUBCLCKEMXDHKO-UTUOFQBUSA-N 3 1 227.352 -0.109 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499436 584780105 /nfs/dbraw/zinc/78/01/05/584780105.db2.gz VDSNCIUIPMOTEC-IJLUTSLNSA-N 2 1 229.368 -0.127 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499437 584779775 /nfs/dbraw/zinc/77/97/75/584779775.db2.gz VDSNCIUIPMOTEC-UTUOFQBUSA-N 2 1 229.368 -0.127 20 0 BBADMP C[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)C[C@H]1CC[NH3+] ZINC000903500368 584780009 /nfs/dbraw/zinc/78/00/09/584780009.db2.gz YWISCCQHBINSQB-CHWSQXEVSA-N 3 1 240.395 -0.192 20 0 BBADMP [NH3+]CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903507332 584781662 /nfs/dbraw/zinc/78/16/62/584781662.db2.gz WOOKABVBYCLBQH-BETUJISGSA-N 2 1 238.379 -0.154 20 0 BBADMP C[NH+](C)C1(CS(=O)(=O)NCC2([NH3+])CC2)CC1 ZINC000903523110 584781496 /nfs/dbraw/zinc/78/14/96/584781496.db2.gz CFPVHTPSEXLXDG-UHFFFAOYSA-N 2 1 247.364 -0.509 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCOC[C@H](C)C1 ZINC000903569687 584783323 /nfs/dbraw/zinc/78/33/23/584783323.db2.gz HXEAULGLOWMUOB-GHMZBOCLSA-N 2 1 216.325 -0.075 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCOC[C@H](C)C1 ZINC000903569688 584783388 /nfs/dbraw/zinc/78/33/88/584783388.db2.gz HXEAULGLOWMUOB-MNOVXSKESA-N 2 1 216.325 -0.075 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCOC[C@@H](C)C1 ZINC000903569689 584783506 /nfs/dbraw/zinc/78/35/06/584783506.db2.gz HXEAULGLOWMUOB-QWRGUYRKSA-N 2 1 216.325 -0.075 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCOC[C@@H](C)C1 ZINC000903569690 584783635 /nfs/dbraw/zinc/78/36/35/584783635.db2.gz HXEAULGLOWMUOB-WDEREUQCSA-N 2 1 216.325 -0.075 20 0 BBADMP CC[N@H+](CCC(N)=O)CCN1CC[NH2+]CC1 ZINC000903577035 637374452 /nfs/dbraw/zinc/37/44/52/637374452.db2.gz DBIJHHCVBDAKPC-UHFFFAOYSA-N 2 1 228.340 -0.911 20 0 BBADMP CC[N@@H+](CCC(N)=O)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903577498 637374915 /nfs/dbraw/zinc/37/49/15/637374915.db2.gz NNMOOAKERUQKBT-JTQLQIEISA-N 2 1 241.335 -0.295 20 0 BBADMP CC[N@@H+](CCC(N)=O)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903577499 637373979 /nfs/dbraw/zinc/37/39/79/637373979.db2.gz NNMOOAKERUQKBT-SNVBAGLBSA-N 2 1 241.335 -0.295 20 0 BBADMP [NH3+]C1(C[NH2+]CCN2CCCS2(=O)=O)CCC1 ZINC000903744687 584796919 /nfs/dbraw/zinc/79/69/19/584796919.db2.gz WIVVBNNVZHZFAP-UHFFFAOYSA-N 2 1 247.364 -0.507 20 0 BBADMP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000903752050 584795721 /nfs/dbraw/zinc/79/57/21/584795721.db2.gz PTFNWOGHAYVSLY-IVZWLZJFSA-N 2 1 230.308 -0.563 20 0 BBADMP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000903752051 584795755 /nfs/dbraw/zinc/79/57/55/584795755.db2.gz PTFNWOGHAYVSLY-LPEHRKFASA-N 2 1 230.308 -0.563 20 0 BBADMP O[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C[C@@H]1O ZINC000903778508 584799642 /nfs/dbraw/zinc/79/96/42/584799642.db2.gz NRUJTGSHYAYKEI-TUAOUCFPSA-N 2 1 228.336 -0.196 20 0 BBADMP O[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C[C@@H]1O ZINC000903778510 584799446 /nfs/dbraw/zinc/79/94/46/584799446.db2.gz NRUJTGSHYAYKEI-UTUOFQBUSA-N 2 1 228.336 -0.196 20 0 BBADMP C([C@@H]1CCCC[NH2+]C1)N1CCNCC[NH2+]CC1 ZINC000903786534 584800319 /nfs/dbraw/zinc/80/03/19/584800319.db2.gz LJOBWJDAWYCDCU-CYBMUJFWSA-N 2 1 240.395 -0.129 20 0 BBADMP C([C@H]1CCCC[NH2+]C1)N1CCNCC[NH2+]CC1 ZINC000903786535 584800321 /nfs/dbraw/zinc/80/03/21/584800321.db2.gz LJOBWJDAWYCDCU-ZDUSSCGKSA-N 2 1 240.395 -0.129 20 0 BBADMP C[N@@H+](CCOCC[NH3+])C1(CN)CCOCC1 ZINC000903808433 584803576 /nfs/dbraw/zinc/80/35/76/584803576.db2.gz KQVBZWHEVOJACI-UHFFFAOYSA-N 2 1 231.340 -0.599 20 0 BBADMP C[N@H+](CCOCC[NH3+])C1(CN)CCOCC1 ZINC000903808433 584803575 /nfs/dbraw/zinc/80/35/75/584803575.db2.gz KQVBZWHEVOJACI-UHFFFAOYSA-N 2 1 231.340 -0.599 20 0 BBADMP C[N@@H+](CCOCC[NH3+])C1(C[NH3+])CCOCC1 ZINC000903808433 584803574 /nfs/dbraw/zinc/80/35/74/584803574.db2.gz KQVBZWHEVOJACI-UHFFFAOYSA-N 3 1 231.340 -0.599 20 0 BBADMP C[N@H+](CCOCC[NH3+])C1(C[NH3+])CCOCC1 ZINC000903808433 584803573 /nfs/dbraw/zinc/80/35/73/584803573.db2.gz KQVBZWHEVOJACI-UHFFFAOYSA-N 3 1 231.340 -0.599 20 0 BBADMP NC(=O)[C@]12CCC[C@H]1C[N@@H+](CCOCC[NH3+])C2 ZINC000903825643 584804689 /nfs/dbraw/zinc/80/46/89/584804689.db2.gz BVRHZWNZAUCVNM-JQWIXIFHSA-N 2 1 241.335 -0.451 20 0 BBADMP CC[N@H+](CCC(=O)NC)CCN1CC[NH2+]CC1 ZINC000903825883 584804364 /nfs/dbraw/zinc/80/43/64/584804364.db2.gz DBCCTUDJTYVJIY-UHFFFAOYSA-N 2 1 242.367 -0.650 20 0 BBADMP NC(=O)[C@]12CCC[C@H]1C[N@@H+](CCC[NH3+])C2 ZINC000903826361 584805079 /nfs/dbraw/zinc/80/50/79/584805079.db2.gz JLLBHMKHPAWKDY-ONGXEEELSA-N 2 1 211.309 -0.077 20 0 BBADMP C[C@@H]1C[N@@H+](CCC[NH3+])C[C@H]1CS(N)(=O)=O ZINC000903826912 584805123 /nfs/dbraw/zinc/80/51/23/584805123.db2.gz NPUVZNDNGOBSGP-BDAKNGLRSA-N 2 1 235.353 -0.808 20 0 BBADMP C[NH2+]C[C@](C)(O)CN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000903826915 584804978 /nfs/dbraw/zinc/80/49/78/584804978.db2.gz NROQRKAZGJDCME-XQQFMLRXSA-N 2 1 241.379 -0.160 20 0 BBADMP C[NH2+]C[C@@](C)(O)CN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000903826916 584804997 /nfs/dbraw/zinc/80/49/97/584804997.db2.gz NROQRKAZGJDCME-YNEHKIRRSA-N 2 1 241.379 -0.160 20 0 BBADMP CC[N@@H+](CCC(=O)NC)C[C@](C)(O)C[NH2+]C ZINC000903827206 584805005 /nfs/dbraw/zinc/80/50/05/584805005.db2.gz QMPWWWAZYSEVNM-LLVKDONJSA-N 2 1 231.340 -0.585 20 0 BBADMP CC[N@@H+](CCC(=O)NC)C[C@@](C)(O)C[NH2+]C ZINC000903827207 584804802 /nfs/dbraw/zinc/80/48/02/584804802.db2.gz QMPWWWAZYSEVNM-NSHDSACASA-N 2 1 231.340 -0.585 20 0 BBADMP CC[N@@H+](CCC(=O)NC)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000903827425 584804984 /nfs/dbraw/zinc/80/49/84/584804984.db2.gz SGUBXYBLWSYTKS-GUBZILKMSA-N 2 1 229.324 -0.705 20 0 BBADMP C[NH2+]CCC[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000903827465 584804779 /nfs/dbraw/zinc/80/47/79/584804779.db2.gz TZLYEQPOTDGVLF-ZJUUUORDSA-N 2 1 249.380 -0.548 20 0 BBADMP [NH3+]CCOCC[N@H+]1CCCCCNC(=O)CC1 ZINC000903829215 584805833 /nfs/dbraw/zinc/80/58/33/584805833.db2.gz BXTKEZUAFRBXSH-UHFFFAOYSA-N 2 1 243.351 -0.046 20 0 BBADMP [NH3+]CCOCC[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000903830019 584805394 /nfs/dbraw/zinc/80/53/94/584805394.db2.gz QNYJEEUMFMAEOS-WDEREUQCSA-N 2 1 230.308 -0.549 20 0 BBADMP CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000903830120 584805577 /nfs/dbraw/zinc/80/55/77/584805577.db2.gz SZVAWGNQOPAVCS-AJBSGBCOSA-N 2 1 214.309 -0.054 20 0 BBADMP CO[C@@H]1CC[C@H]1[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000903830121 584805544 /nfs/dbraw/zinc/80/55/44/584805544.db2.gz SZVAWGNQOPAVCS-HPENLJRUSA-N 2 1 214.309 -0.054 20 0 BBADMP CO[C@H]1CC[C@@H]1[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000903830122 584805811 /nfs/dbraw/zinc/80/58/11/584805811.db2.gz SZVAWGNQOPAVCS-QHZLYTNSSA-N 2 1 214.309 -0.054 20 0 BBADMP CO[C@H]1CC[C@H]1[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000903830123 584805783 /nfs/dbraw/zinc/80/57/83/584805783.db2.gz SZVAWGNQOPAVCS-SSRBZLIGSA-N 2 1 214.309 -0.054 20 0 BBADMP [NH3+]CCOCC[N@H+]1CCOC[C@@H]1CCO ZINC000903830207 584805505 /nfs/dbraw/zinc/80/55/05/584805505.db2.gz WEMGCXKPWOGMFU-JTQLQIEISA-N 2 1 218.297 -0.955 20 0 BBADMP [NH3+]CCOCC[N@@H+]1CCOC[C@@H]1CCO ZINC000903830207 584805504 /nfs/dbraw/zinc/80/55/04/584805504.db2.gz WEMGCXKPWOGMFU-JTQLQIEISA-N 2 1 218.297 -0.955 20 0 BBADMP [NH3+]CCOCC[N@H+]1CCOC[C@H]1CCO ZINC000903830208 584805536 /nfs/dbraw/zinc/80/55/36/584805536.db2.gz WEMGCXKPWOGMFU-SNVBAGLBSA-N 2 1 218.297 -0.955 20 0 BBADMP [NH3+]CCOCC[N@@H+]1CCOC[C@H]1CCO ZINC000903830208 584805535 /nfs/dbraw/zinc/80/55/35/584805535.db2.gz WEMGCXKPWOGMFU-SNVBAGLBSA-N 2 1 218.297 -0.955 20 0 BBADMP O[C@@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1F ZINC000903838780 584807393 /nfs/dbraw/zinc/80/73/93/584807393.db2.gz FCPCBPANCLJOEV-GARJFASQSA-N 2 1 244.310 -0.230 20 0 BBADMP O[C@@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1F ZINC000903838780 584807391 /nfs/dbraw/zinc/80/73/91/584807391.db2.gz FCPCBPANCLJOEV-GARJFASQSA-N 2 1 244.310 -0.230 20 0 BBADMP O[C@@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H]1F ZINC000903838781 584807140 /nfs/dbraw/zinc/80/71/40/584807140.db2.gz FCPCBPANCLJOEV-GMTAPVOTSA-N 2 1 244.310 -0.230 20 0 BBADMP O[C@@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H]1F ZINC000903838781 584807139 /nfs/dbraw/zinc/80/71/39/584807139.db2.gz FCPCBPANCLJOEV-GMTAPVOTSA-N 2 1 244.310 -0.230 20 0 BBADMP O[C@@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H]1F ZINC000903838782 584806960 /nfs/dbraw/zinc/80/69/60/584806960.db2.gz FCPCBPANCLJOEV-HBNTYKKESA-N 2 1 244.310 -0.230 20 0 BBADMP O[C@@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H]1F ZINC000903838782 584806958 /nfs/dbraw/zinc/80/69/58/584806958.db2.gz FCPCBPANCLJOEV-HBNTYKKESA-N 2 1 244.310 -0.230 20 0 BBADMP O[C@@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1F ZINC000903838783 584807407 /nfs/dbraw/zinc/80/74/07/584807407.db2.gz FCPCBPANCLJOEV-OUAUKWLOSA-N 2 1 244.310 -0.230 20 0 BBADMP O[C@@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1F ZINC000903838783 584807406 /nfs/dbraw/zinc/80/74/06/584807406.db2.gz FCPCBPANCLJOEV-OUAUKWLOSA-N 2 1 244.310 -0.230 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000903840117 584807270 /nfs/dbraw/zinc/80/72/70/584807270.db2.gz NYIMREICBTZPPH-BDAKNGLRSA-N 2 1 206.261 -0.634 20 0 BBADMP [NH3+]CCOCC[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000903840117 584807269 /nfs/dbraw/zinc/80/72/69/584807269.db2.gz NYIMREICBTZPPH-BDAKNGLRSA-N 2 1 206.261 -0.634 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000903840119 584807100 /nfs/dbraw/zinc/80/71/00/584807100.db2.gz NYIMREICBTZPPH-DTWKUNHWSA-N 2 1 206.261 -0.634 20 0 BBADMP [NH3+]CCOCC[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000903840119 584807098 /nfs/dbraw/zinc/80/70/98/584807098.db2.gz NYIMREICBTZPPH-DTWKUNHWSA-N 2 1 206.261 -0.634 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000903840120 584807235 /nfs/dbraw/zinc/80/72/35/584807235.db2.gz NYIMREICBTZPPH-IUCAKERBSA-N 2 1 206.261 -0.634 20 0 BBADMP [NH3+]CCOCC[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000903840120 584807234 /nfs/dbraw/zinc/80/72/34/584807234.db2.gz NYIMREICBTZPPH-IUCAKERBSA-N 2 1 206.261 -0.634 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000903840121 584807239 /nfs/dbraw/zinc/80/72/39/584807239.db2.gz NYIMREICBTZPPH-RKDXNWHRSA-N 2 1 206.261 -0.634 20 0 BBADMP [NH3+]CCOCC[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000903840121 584807238 /nfs/dbraw/zinc/80/72/38/584807238.db2.gz NYIMREICBTZPPH-RKDXNWHRSA-N 2 1 206.261 -0.634 20 0 BBADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C[C@@H]1C[NH2+]CCO1)C2 ZINC000903842695 584804595 /nfs/dbraw/zinc/80/45/95/584804595.db2.gz SEQGYRKPLIJMSC-BJDJZHNGSA-N 2 1 225.336 -0.214 20 0 BBADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1CNCCO1)C2 ZINC000903842695 584804593 /nfs/dbraw/zinc/80/45/93/584804593.db2.gz SEQGYRKPLIJMSC-BJDJZHNGSA-N 2 1 225.336 -0.214 20 0 BBADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C[C@H]1C[NH2+]CCO1)C2 ZINC000903842696 584804428 /nfs/dbraw/zinc/80/44/28/584804428.db2.gz SEQGYRKPLIJMSC-FIQHERPVSA-N 2 1 225.336 -0.214 20 0 BBADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CNCCO1)C2 ZINC000903842696 584804427 /nfs/dbraw/zinc/80/44/27/584804427.db2.gz SEQGYRKPLIJMSC-FIQHERPVSA-N 2 1 225.336 -0.214 20 0 BBADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C[C@@H]1C[NH2+]CCO1)C2 ZINC000903842697 584804380 /nfs/dbraw/zinc/80/43/80/584804380.db2.gz SEQGYRKPLIJMSC-USZNOCQGSA-N 2 1 225.336 -0.214 20 0 BBADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1CNCCO1)C2 ZINC000903842697 584804379 /nfs/dbraw/zinc/80/43/79/584804379.db2.gz SEQGYRKPLIJMSC-USZNOCQGSA-N 2 1 225.336 -0.214 20 0 BBADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C[C@H]1C[NH2+]CCO1)C2 ZINC000903842698 584804550 /nfs/dbraw/zinc/80/45/50/584804550.db2.gz SEQGYRKPLIJMSC-WHOHXGKFSA-N 2 1 225.336 -0.214 20 0 BBADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CNCCO1)C2 ZINC000903842698 584804549 /nfs/dbraw/zinc/80/45/49/584804549.db2.gz SEQGYRKPLIJMSC-WHOHXGKFSA-N 2 1 225.336 -0.214 20 0 BBADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC000903843500 584807610 /nfs/dbraw/zinc/80/76/10/584807610.db2.gz MCJUBWICNHZILY-AVGNSLFASA-N 3 1 238.379 -0.297 20 0 BBADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC000903843501 584807695 /nfs/dbraw/zinc/80/76/95/584807695.db2.gz MCJUBWICNHZILY-XQQFMLRXSA-N 3 1 238.379 -0.297 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903856565 584808530 /nfs/dbraw/zinc/80/85/30/584808530.db2.gz ADDUSCOZLBUMDS-GHMZBOCLSA-N 3 1 213.325 -0.225 20 0 BBADMP [NH3+]CCOCC[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903856565 584808529 /nfs/dbraw/zinc/80/85/29/584808529.db2.gz ADDUSCOZLBUMDS-GHMZBOCLSA-N 3 1 213.325 -0.225 20 0 BBADMP NC[C@]12CC[C@@H]1CC[N@H+]2CCOCC[NH3+] ZINC000903856565 584808528 /nfs/dbraw/zinc/80/85/28/584808528.db2.gz ADDUSCOZLBUMDS-GHMZBOCLSA-N 3 1 213.325 -0.225 20 0 BBADMP NC[C@]12CC[C@@H]1CC[N@@H+]2CCOCC[NH3+] ZINC000903856565 584808527 /nfs/dbraw/zinc/80/85/27/584808527.db2.gz ADDUSCOZLBUMDS-GHMZBOCLSA-N 3 1 213.325 -0.225 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903856567 584808783 /nfs/dbraw/zinc/80/87/83/584808783.db2.gz ADDUSCOZLBUMDS-MNOVXSKESA-N 3 1 213.325 -0.225 20 0 BBADMP [NH3+]CCOCC[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903856567 584808782 /nfs/dbraw/zinc/80/87/82/584808782.db2.gz ADDUSCOZLBUMDS-MNOVXSKESA-N 3 1 213.325 -0.225 20 0 BBADMP NC[C@@]12CC[C@@H]1CC[N@H+]2CCOCC[NH3+] ZINC000903856567 584808781 /nfs/dbraw/zinc/80/87/81/584808781.db2.gz ADDUSCOZLBUMDS-MNOVXSKESA-N 3 1 213.325 -0.225 20 0 BBADMP NC[C@@]12CC[C@@H]1CC[N@@H+]2CCOCC[NH3+] ZINC000903856567 584808780 /nfs/dbraw/zinc/80/87/80/584808780.db2.gz ADDUSCOZLBUMDS-MNOVXSKESA-N 3 1 213.325 -0.225 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903856569 584809632 /nfs/dbraw/zinc/80/96/32/584809632.db2.gz ADDUSCOZLBUMDS-QWRGUYRKSA-N 3 1 213.325 -0.225 20 0 BBADMP [NH3+]CCOCC[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903856569 584809631 /nfs/dbraw/zinc/80/96/31/584809631.db2.gz ADDUSCOZLBUMDS-QWRGUYRKSA-N 3 1 213.325 -0.225 20 0 BBADMP NC[C@@]12CC[C@H]1CC[N@H+]2CCOCC[NH3+] ZINC000903856569 584809630 /nfs/dbraw/zinc/80/96/30/584809630.db2.gz ADDUSCOZLBUMDS-QWRGUYRKSA-N 3 1 213.325 -0.225 20 0 BBADMP NC[C@@]12CC[C@H]1CC[N@@H+]2CCOCC[NH3+] ZINC000903856569 584809629 /nfs/dbraw/zinc/80/96/29/584809629.db2.gz ADDUSCOZLBUMDS-QWRGUYRKSA-N 3 1 213.325 -0.225 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903856571 584808796 /nfs/dbraw/zinc/80/87/96/584808796.db2.gz ADDUSCOZLBUMDS-WDEREUQCSA-N 3 1 213.325 -0.225 20 0 BBADMP [NH3+]CCOCC[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903856571 584808795 /nfs/dbraw/zinc/80/87/95/584808795.db2.gz ADDUSCOZLBUMDS-WDEREUQCSA-N 3 1 213.325 -0.225 20 0 BBADMP NC[C@]12CC[C@H]1CC[N@H+]2CCOCC[NH3+] ZINC000903856571 584808794 /nfs/dbraw/zinc/80/87/94/584808794.db2.gz ADDUSCOZLBUMDS-WDEREUQCSA-N 3 1 213.325 -0.225 20 0 BBADMP NC[C@]12CC[C@H]1CC[N@@H+]2CCOCC[NH3+] ZINC000903856571 584808793 /nfs/dbraw/zinc/80/87/93/584808793.db2.gz ADDUSCOZLBUMDS-WDEREUQCSA-N 3 1 213.325 -0.225 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903861504 584811817 /nfs/dbraw/zinc/81/18/17/584811817.db2.gz YCXINDUYUVPPBO-AXFHLTTASA-N 2 1 214.309 -0.193 20 0 BBADMP COC[C@H](O)C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903861504 584811815 /nfs/dbraw/zinc/81/18/15/584811815.db2.gz YCXINDUYUVPPBO-AXFHLTTASA-N 2 1 214.309 -0.193 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903861505 584811501 /nfs/dbraw/zinc/81/15/01/584811501.db2.gz YCXINDUYUVPPBO-GMTAPVOTSA-N 2 1 214.309 -0.193 20 0 BBADMP COC[C@H](O)C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903861505 584811499 /nfs/dbraw/zinc/81/14/99/584811499.db2.gz YCXINDUYUVPPBO-GMTAPVOTSA-N 2 1 214.309 -0.193 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903861506 584812492 /nfs/dbraw/zinc/81/24/92/584812492.db2.gz YCXINDUYUVPPBO-HBNTYKKESA-N 2 1 214.309 -0.193 20 0 BBADMP COC[C@H](O)C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903861506 584812491 /nfs/dbraw/zinc/81/24/91/584812491.db2.gz YCXINDUYUVPPBO-HBNTYKKESA-N 2 1 214.309 -0.193 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903861507 584812633 /nfs/dbraw/zinc/81/26/33/584812633.db2.gz YCXINDUYUVPPBO-MXWKQRLJSA-N 2 1 214.309 -0.193 20 0 BBADMP COC[C@H](O)C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903861507 584812631 /nfs/dbraw/zinc/81/26/31/584812631.db2.gz YCXINDUYUVPPBO-MXWKQRLJSA-N 2 1 214.309 -0.193 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903865115 584813325 /nfs/dbraw/zinc/81/33/25/584813325.db2.gz YCXINDUYUVPPBO-DCAQKATOSA-N 2 1 214.309 -0.193 20 0 BBADMP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903865115 584813324 /nfs/dbraw/zinc/81/33/24/584813324.db2.gz YCXINDUYUVPPBO-DCAQKATOSA-N 2 1 214.309 -0.193 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903865120 584812849 /nfs/dbraw/zinc/81/28/49/584812849.db2.gz YCXINDUYUVPPBO-GARJFASQSA-N 2 1 214.309 -0.193 20 0 BBADMP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903865120 584812846 /nfs/dbraw/zinc/81/28/46/584812846.db2.gz YCXINDUYUVPPBO-GARJFASQSA-N 2 1 214.309 -0.193 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903865123 584813474 /nfs/dbraw/zinc/81/34/74/584813474.db2.gz YCXINDUYUVPPBO-OUAUKWLOSA-N 2 1 214.309 -0.193 20 0 BBADMP COC[C@@H](O)C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903865123 584813473 /nfs/dbraw/zinc/81/34/73/584813473.db2.gz YCXINDUYUVPPBO-OUAUKWLOSA-N 2 1 214.309 -0.193 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903865127 584813360 /nfs/dbraw/zinc/81/33/60/584813360.db2.gz YCXINDUYUVPPBO-VWYCJHECSA-N 2 1 214.309 -0.193 20 0 BBADMP COC[C@@H](O)C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903865127 584813359 /nfs/dbraw/zinc/81/33/59/584813359.db2.gz YCXINDUYUVPPBO-VWYCJHECSA-N 2 1 214.309 -0.193 20 0 BBADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)CCO)cnn1C ZINC000903872501 584815503 /nfs/dbraw/zinc/81/55/03/584815503.db2.gz FWVGLMWSVRYDBH-LLVKDONJSA-N 2 1 240.351 -0.230 20 0 BBADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)CCO)cnn1C ZINC000903872504 584815509 /nfs/dbraw/zinc/81/55/09/584815509.db2.gz FWVGLMWSVRYDBH-NSHDSACASA-N 2 1 240.351 -0.230 20 0 BBADMP COC[C@H]1C[NH2+]CCN1CC1CC[NH2+]CC1 ZINC000903876324 584816337 /nfs/dbraw/zinc/81/63/37/584816337.db2.gz WOCLLVPGZUDTAB-GFCCVEGCSA-N 2 1 227.352 -0.094 20 0 BBADMP COC[C@H]1CNCC[N@H+]1CC1CC[NH2+]CC1 ZINC000903876324 584816335 /nfs/dbraw/zinc/81/63/35/584816335.db2.gz WOCLLVPGZUDTAB-GFCCVEGCSA-N 2 1 227.352 -0.094 20 0 BBADMP COC[C@@H]1C[NH2+]CCN1CC1CC[NH2+]CC1 ZINC000903876325 584816342 /nfs/dbraw/zinc/81/63/42/584816342.db2.gz WOCLLVPGZUDTAB-LBPRGKRZSA-N 2 1 227.352 -0.094 20 0 BBADMP COC[C@@H]1CNCC[N@H+]1CC1CC[NH2+]CC1 ZINC000903876325 584816341 /nfs/dbraw/zinc/81/63/41/584816341.db2.gz WOCLLVPGZUDTAB-LBPRGKRZSA-N 2 1 227.352 -0.094 20 0 BBADMP COC[C@@H]1CNCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903880596 584816959 /nfs/dbraw/zinc/81/69/59/584816959.db2.gz JQHSJXHLNOUGMT-NEPJUHHUSA-N 2 1 227.352 -0.094 20 0 BBADMP COC[C@@H]1CNCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903880596 584816957 /nfs/dbraw/zinc/81/69/57/584816957.db2.gz JQHSJXHLNOUGMT-NEPJUHHUSA-N 2 1 227.352 -0.094 20 0 BBADMP COC[C@H]1CNCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903880597 584817105 /nfs/dbraw/zinc/81/71/05/584817105.db2.gz JQHSJXHLNOUGMT-NWDGAFQWSA-N 2 1 227.352 -0.094 20 0 BBADMP COC[C@H]1CNCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903880597 584817104 /nfs/dbraw/zinc/81/71/04/584817104.db2.gz JQHSJXHLNOUGMT-NWDGAFQWSA-N 2 1 227.352 -0.094 20 0 BBADMP COC[C@@H]1CNCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903880598 584817181 /nfs/dbraw/zinc/81/71/81/584817181.db2.gz JQHSJXHLNOUGMT-RYUDHWBXSA-N 2 1 227.352 -0.094 20 0 BBADMP COC[C@@H]1CNCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903880598 584817179 /nfs/dbraw/zinc/81/71/79/584817179.db2.gz JQHSJXHLNOUGMT-RYUDHWBXSA-N 2 1 227.352 -0.094 20 0 BBADMP COC[C@H]1CNCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903880599 584816977 /nfs/dbraw/zinc/81/69/77/584816977.db2.gz JQHSJXHLNOUGMT-VXGBXAGGSA-N 2 1 227.352 -0.094 20 0 BBADMP COC[C@H]1CNCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903880599 584816975 /nfs/dbraw/zinc/81/69/75/584816975.db2.gz JQHSJXHLNOUGMT-VXGBXAGGSA-N 2 1 227.352 -0.094 20 0 BBADMP COC[C@H]1C[NH2+]CCN1CCc1c[nH+]cn1C ZINC000903882386 584818075 /nfs/dbraw/zinc/81/80/75/584818075.db2.gz NHYFKMGOQMWDDH-GFCCVEGCSA-N 2 1 238.335 -0.117 20 0 BBADMP COC[C@@H]1C[NH2+]CCN1CCc1c[nH+]cn1C ZINC000903882387 584817980 /nfs/dbraw/zinc/81/79/80/584817980.db2.gz NHYFKMGOQMWDDH-LBPRGKRZSA-N 2 1 238.335 -0.117 20 0 BBADMP CC[C@H]1C(=O)NCCC[N@@H+]1CCOCC[NH3+] ZINC000903883170 584818588 /nfs/dbraw/zinc/81/85/88/584818588.db2.gz UMQWBMOLYRUXLS-JTQLQIEISA-N 2 1 229.324 -0.438 20 0 BBADMP CC[C@@H]1C(=O)NCCC[N@@H+]1CCOCC[NH3+] ZINC000903883171 584818478 /nfs/dbraw/zinc/81/84/78/584818478.db2.gz UMQWBMOLYRUXLS-SNVBAGLBSA-N 2 1 229.324 -0.438 20 0 BBADMP C[N@@H+](C[C@H](O)CN)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918474 584822257 /nfs/dbraw/zinc/82/22/57/584822257.db2.gz AAZYTECCEPUVBM-FGNRJIRKSA-N 2 1 227.352 -0.232 20 0 BBADMP C[N@H+](C[C@H](O)CN)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918474 584822256 /nfs/dbraw/zinc/82/22/56/584822256.db2.gz AAZYTECCEPUVBM-FGNRJIRKSA-N 2 1 227.352 -0.232 20 0 BBADMP C[N@@H+](C[C@H](O)C[NH3+])CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918474 584822255 /nfs/dbraw/zinc/82/22/55/584822255.db2.gz AAZYTECCEPUVBM-FGNRJIRKSA-N 3 1 227.352 -0.232 20 0 BBADMP C[N@@H+](C[C@@H](O)CN)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918475 584822643 /nfs/dbraw/zinc/82/26/43/584822643.db2.gz AAZYTECCEPUVBM-YATPEIPISA-N 2 1 227.352 -0.232 20 0 BBADMP C[N@H+](C[C@@H](O)CN)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918475 584822641 /nfs/dbraw/zinc/82/26/41/584822641.db2.gz AAZYTECCEPUVBM-YATPEIPISA-N 2 1 227.352 -0.232 20 0 BBADMP C[N@@H+](C[C@@H](O)C[NH3+])CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918475 584822640 /nfs/dbraw/zinc/82/26/40/584822640.db2.gz AAZYTECCEPUVBM-YATPEIPISA-N 3 1 227.352 -0.232 20 0 BBADMP [NH3+]CC[N@@H+](CCO)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903919362 584822974 /nfs/dbraw/zinc/82/29/74/584822974.db2.gz NMRLRLNZJLYFPN-YOGCLGLASA-N 3 1 227.352 -0.230 20 0 BBADMP [NH3+]CC[N@H+](CCO)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903919362 584822973 /nfs/dbraw/zinc/82/29/73/584822973.db2.gz NMRLRLNZJLYFPN-YOGCLGLASA-N 3 1 227.352 -0.230 20 0 BBADMP NCC[N@@H+](CCO)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903919362 584822971 /nfs/dbraw/zinc/82/29/71/584822971.db2.gz NMRLRLNZJLYFPN-YOGCLGLASA-N 2 1 227.352 -0.230 20 0 BBADMP NCC[N@H+](CCO)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903919362 584822969 /nfs/dbraw/zinc/82/29/69/584822969.db2.gz NMRLRLNZJLYFPN-YOGCLGLASA-N 2 1 227.352 -0.230 20 0 BBADMP OC[C@@H]1C[C@H](O)C[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903927106 584824323 /nfs/dbraw/zinc/82/43/23/584824323.db2.gz QCMURYUPGMNFOC-DMGDTADUSA-N 2 1 240.347 -0.056 20 0 BBADMP [NH3+][C@H](CC(F)F)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000903931401 584824870 /nfs/dbraw/zinc/82/48/70/584824870.db2.gz CPNWLWIZWGUQLT-KXUCPTDWSA-N 2 1 249.305 -0.280 20 0 BBADMP [NH3+][C@@H](CC(F)F)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000903931402 584825311 /nfs/dbraw/zinc/82/53/11/584825311.db2.gz CPNWLWIZWGUQLT-LPEHRKFASA-N 2 1 249.305 -0.280 20 0 BBADMP O[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1O ZINC000903937033 584826309 /nfs/dbraw/zinc/82/63/09/584826309.db2.gz ABUJRSRSIOCIGK-LLUNPGSJSA-N 2 1 240.347 -0.056 20 0 BBADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnnn1C ZINC000903965146 584834522 /nfs/dbraw/zinc/83/45/22/584834522.db2.gz XQBYAJOTFXPKSI-BDAKNGLRSA-N 2 1 209.297 -0.240 20 0 BBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904299909 584860529 /nfs/dbraw/zinc/86/05/29/584860529.db2.gz REVRSMAVICAYCY-TXEJJXNPSA-N 3 1 226.368 -0.439 20 0 BBADMP C[C@@]1(CN2CC[NH+](CCO)CC2)CCC[NH2+]C1 ZINC000904300841 584861434 /nfs/dbraw/zinc/86/14/34/584861434.db2.gz BZIVDEDNPSICGA-CYBMUJFWSA-N 2 1 241.379 -0.014 20 0 BBADMP C[C@]1(CN2CC[NH+](CCO)CC2)CCC[NH2+]C1 ZINC000904300842 584861362 /nfs/dbraw/zinc/86/13/62/584861362.db2.gz BZIVDEDNPSICGA-ZDUSSCGKSA-N 2 1 241.379 -0.014 20 0 BBADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904301245 584861077 /nfs/dbraw/zinc/86/10/77/584861077.db2.gz JGBKDJSCTOQZSK-CHWFTXMASA-N 3 1 213.325 -0.228 20 0 BBADMP C[C@@H]([NH3+])[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904301245 584861076 /nfs/dbraw/zinc/86/10/76/584861076.db2.gz JGBKDJSCTOQZSK-CHWFTXMASA-N 3 1 213.325 -0.228 20 0 BBADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904301267 584861298 /nfs/dbraw/zinc/86/12/98/584861298.db2.gz JGBKDJSCTOQZSK-MMWGEVLESA-N 3 1 213.325 -0.228 20 0 BBADMP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904301267 584861297 /nfs/dbraw/zinc/86/12/97/584861297.db2.gz JGBKDJSCTOQZSK-MMWGEVLESA-N 3 1 213.325 -0.228 20 0 BBADMP C[C@H]([NH3+])[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904301269 584861377 /nfs/dbraw/zinc/86/13/77/584861377.db2.gz JGBKDJSCTOQZSK-UKKRHICBSA-N 3 1 213.325 -0.228 20 0 BBADMP C[C@H]([NH3+])[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904301269 584861376 /nfs/dbraw/zinc/86/13/76/584861376.db2.gz JGBKDJSCTOQZSK-UKKRHICBSA-N 3 1 213.325 -0.228 20 0 BBADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904301270 584861092 /nfs/dbraw/zinc/86/10/92/584861092.db2.gz JGBKDJSCTOQZSK-ZNSHCXBVSA-N 3 1 213.325 -0.228 20 0 BBADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904301270 584861091 /nfs/dbraw/zinc/86/10/91/584861091.db2.gz JGBKDJSCTOQZSK-ZNSHCXBVSA-N 3 1 213.325 -0.228 20 0 BBADMP NC(=O)[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904302456 584862002 /nfs/dbraw/zinc/86/20/02/584862002.db2.gz WSVYCHYXGJTIEE-BBBLOLIVSA-N 2 1 211.309 -0.079 20 0 BBADMP NC(=O)[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904302457 584861810 /nfs/dbraw/zinc/86/18/10/584861810.db2.gz WSVYCHYXGJTIEE-LPEHRKFASA-N 2 1 211.309 -0.079 20 0 BBADMP C[N@H+](CC(=O)N1CCOCC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904304019 584861747 /nfs/dbraw/zinc/86/17/47/584861747.db2.gz PDHVSFWFVARANA-PHIMTYICSA-N 2 1 241.335 -0.486 20 0 BBADMP C[N@H+](CC(=O)NC1CC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904304061 584861790 /nfs/dbraw/zinc/86/17/90/584861790.db2.gz QDMKCXMTLLFGJL-DTORHVGOSA-N 2 1 211.309 -0.066 20 0 BBADMP COCCCNC(=O)C[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904305679 584862351 /nfs/dbraw/zinc/86/23/51/584862351.db2.gz SVUACDBZASTHIV-PHIMTYICSA-N 2 1 243.351 -0.192 20 0 BBADMP COCC[N@H+](CC(=O)N(C)C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904309707 584862793 /nfs/dbraw/zinc/86/27/93/584862793.db2.gz PTYCSYFSTRICOU-PHIMTYICSA-N 2 1 243.351 -0.240 20 0 BBADMP CNC(=O)[C@@H]1CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904312457 584863479 /nfs/dbraw/zinc/86/34/79/584863479.db2.gz PZTZYRKCCVSERC-AEJSXWLSSA-N 2 1 211.309 -0.066 20 0 BBADMP CNC(=O)[C@H]1CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904312458 584863680 /nfs/dbraw/zinc/86/36/80/584863680.db2.gz PZTZYRKCCVSERC-KXUCPTDWSA-N 2 1 211.309 -0.066 20 0 BBADMP CC[C@H]1C(=O)NCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904315583 584863230 /nfs/dbraw/zinc/86/32/30/584863230.db2.gz DRFYXSAPZAKOHQ-AEJSXWLSSA-N 2 1 211.309 -0.066 20 0 BBADMP CC[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904315584 584863451 /nfs/dbraw/zinc/86/34/51/584863451.db2.gz DRFYXSAPZAKOHQ-KXUCPTDWSA-N 2 1 211.309 -0.066 20 0 BBADMP COC(=O)[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904315816 584863715 /nfs/dbraw/zinc/86/37/15/584863715.db2.gz HRDPFZOBJLSGIQ-AEJSXWLSSA-N 2 1 228.292 -0.403 20 0 BBADMP COC(=O)[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904315818 584863192 /nfs/dbraw/zinc/86/31/92/584863192.db2.gz HRDPFZOBJLSGIQ-KXUCPTDWSA-N 2 1 228.292 -0.403 20 0 BBADMP C[N@@H+](CCN1CCOCC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904316111 584863447 /nfs/dbraw/zinc/86/34/47/584863447.db2.gz KJIIVUQFODVOFP-TXEJJXNPSA-N 2 1 227.352 -0.012 20 0 BBADMP COCC[N@@H+](CCO)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904316389 584863164 /nfs/dbraw/zinc/86/31/64/584863164.db2.gz NOEWGCJEAOLGRN-AOOOYVTPSA-N 2 1 202.298 -0.336 20 0 BBADMP CC1(C)C(=O)NCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904316438 584863213 /nfs/dbraw/zinc/86/32/13/584863213.db2.gz PGYAZFRYDHTJFQ-DTORHVGOSA-N 2 1 211.309 -0.066 20 0 BBADMP [NH3+][C@H]1C[C@@H](C[N@@H+](CCO)CCCO)C1 ZINC000904320033 584864253 /nfs/dbraw/zinc/86/42/53/584864253.db2.gz BLYIGAHLBUYLOD-AOOOYVTPSA-N 2 1 202.298 -0.600 20 0 BBADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)CC(C)(CO)CO ZINC000904321645 584863887 /nfs/dbraw/zinc/86/38/87/584863887.db2.gz APFYTOQYIHOGFM-AOOOYVTPSA-N 2 1 216.325 -0.354 20 0 BBADMP COC(=O)C[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904322035 584864624 /nfs/dbraw/zinc/86/46/24/584864624.db2.gz NCNUNSAVWDYEAW-AXFHLTTASA-N 2 1 242.319 -0.012 20 0 BBADMP COC(=O)C[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904322035 584864622 /nfs/dbraw/zinc/86/46/22/584864622.db2.gz NCNUNSAVWDYEAW-AXFHLTTASA-N 2 1 242.319 -0.012 20 0 BBADMP COC(=O)C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904322036 584864904 /nfs/dbraw/zinc/86/49/04/584864904.db2.gz NCNUNSAVWDYEAW-OUAUKWLOSA-N 2 1 242.319 -0.012 20 0 BBADMP COC(=O)C[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904322036 584864903 /nfs/dbraw/zinc/86/49/03/584864903.db2.gz NCNUNSAVWDYEAW-OUAUKWLOSA-N 2 1 242.319 -0.012 20 0 BBADMP COCC[N@H+](CC(=O)OC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904322443 584864882 /nfs/dbraw/zinc/86/48/82/584864882.db2.gz YHGRBTFZLRDKRR-AOOOYVTPSA-N 2 1 230.308 -0.155 20 0 BBADMP COCC[N@@H+](CC(=O)OC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904322443 584864880 /nfs/dbraw/zinc/86/48/80/584864880.db2.gz YHGRBTFZLRDKRR-AOOOYVTPSA-N 2 1 230.308 -0.155 20 0 BBADMP CCOC(=O)[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904322947 584864918 /nfs/dbraw/zinc/86/49/18/584864918.db2.gz KTCBNQRRSQVLLT-AXFHLTTASA-N 2 1 242.319 -0.012 20 0 BBADMP CCOC(=O)[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904322947 584864916 /nfs/dbraw/zinc/86/49/16/584864916.db2.gz KTCBNQRRSQVLLT-AXFHLTTASA-N 2 1 242.319 -0.012 20 0 BBADMP CCOC(=O)[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904322948 584864597 /nfs/dbraw/zinc/86/45/97/584864597.db2.gz KTCBNQRRSQVLLT-OUAUKWLOSA-N 2 1 242.319 -0.012 20 0 BBADMP CCOC(=O)[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904322948 584864596 /nfs/dbraw/zinc/86/45/96/584864596.db2.gz KTCBNQRRSQVLLT-OUAUKWLOSA-N 2 1 242.319 -0.012 20 0 BBADMP C[C@@H]1CO[C@@H](CO)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904327745 584865041 /nfs/dbraw/zinc/86/50/41/584865041.db2.gz IHKRNUUNYODXQO-CHWFTXMASA-N 2 1 214.309 -0.195 20 0 BBADMP C[C@H]1CO[C@H](CO)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904327747 584865444 /nfs/dbraw/zinc/86/54/44/584865444.db2.gz IHKRNUUNYODXQO-MMWGEVLESA-N 2 1 214.309 -0.195 20 0 BBADMP C[C@H]1CO[C@@H](CO)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904327748 584865581 /nfs/dbraw/zinc/86/55/81/584865581.db2.gz IHKRNUUNYODXQO-UKKRHICBSA-N 2 1 214.309 -0.195 20 0 BBADMP C[C@@H]1CO[C@H](CO)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904327749 584865036 /nfs/dbraw/zinc/86/50/36/584865036.db2.gz IHKRNUUNYODXQO-ZNSHCXBVSA-N 2 1 214.309 -0.195 20 0 BBADMP CNS(=O)(=O)[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904328379 584865406 /nfs/dbraw/zinc/86/54/06/584865406.db2.gz OGEODECMKSOMGT-AEJSXWLSSA-N 2 1 247.364 -0.653 20 0 BBADMP CNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904328387 584865489 /nfs/dbraw/zinc/86/54/89/584865489.db2.gz OGEODECMKSOMGT-KXUCPTDWSA-N 2 1 247.364 -0.653 20 0 BBADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCN3C(=O)NC[C@H]3C2)C1 ZINC000904328388 584865664 /nfs/dbraw/zinc/86/56/64/584865664.db2.gz OHAGNORPTUAYNM-AEJSXWLSSA-N 2 1 224.308 -0.567 20 0 BBADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCN3C(=O)NC[C@@H]3C2)C1 ZINC000904328394 584865317 /nfs/dbraw/zinc/86/53/17/584865317.db2.gz OHAGNORPTUAYNM-KXUCPTDWSA-N 2 1 224.308 -0.567 20 0 BBADMP CN(C)C(=O)NCC[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904328880 584866234 /nfs/dbraw/zinc/86/62/34/584866234.db2.gz IQPTUFJKYNPFQE-AOOOYVTPSA-N 2 1 228.340 -0.073 20 0 BBADMP COCCN1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1=O ZINC000904329485 584865804 /nfs/dbraw/zinc/86/58/04/584865804.db2.gz OFVZWIWNQKRLAE-PHIMTYICSA-N 2 1 241.335 -0.486 20 0 BBADMP COCCN1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1=O ZINC000904329485 584865802 /nfs/dbraw/zinc/86/58/02/584865802.db2.gz OFVZWIWNQKRLAE-PHIMTYICSA-N 2 1 241.335 -0.486 20 0 BBADMP NS(=O)(=O)[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904336862 584863622 /nfs/dbraw/zinc/86/36/22/584863622.db2.gz WNYXTAJHZFTRCL-AEJSXWLSSA-N 2 1 247.364 -0.523 20 0 BBADMP NS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904336863 584863597 /nfs/dbraw/zinc/86/35/97/584863597.db2.gz WNYXTAJHZFTRCL-KXUCPTDWSA-N 2 1 247.364 -0.523 20 0 BBADMP C[C@@H]1C(=O)N(C)CC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904338055 584863667 /nfs/dbraw/zinc/86/36/67/584863667.db2.gz LTNJJFRUWWIMGI-BBBLOLIVSA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@H]1C(=O)N(C)CC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904338068 584863646 /nfs/dbraw/zinc/86/36/46/584863646.db2.gz LTNJJFRUWWIMGI-LPEHRKFASA-N 2 1 211.309 -0.114 20 0 BBADMP CC1(C)CNC(=O)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904339910 584866881 /nfs/dbraw/zinc/86/68/81/584866881.db2.gz ARQDLCVRDRYWJV-DTORHVGOSA-N 2 1 211.309 -0.066 20 0 BBADMP [NH3+][C@H]1C[C@@H](CN2CCn3c(=O)[nH]nc3C2)C1 ZINC000904340315 584866795 /nfs/dbraw/zinc/86/67/95/584866795.db2.gz HBLLWQKGKQQZDE-OCAPTIKFSA-N 2 1 223.280 -0.463 20 0 BBADMP C[C@@H]1CN(C)C(=O)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904340770 584866792 /nfs/dbraw/zinc/86/67/92/584866792.db2.gz CSJFXZMLAABJEZ-BBBLOLIVSA-N 2 1 211.309 -0.114 20 0 BBADMP C[C@H]1CN(C)C(=O)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904340771 584866859 /nfs/dbraw/zinc/86/68/59/584866859.db2.gz CSJFXZMLAABJEZ-LPEHRKFASA-N 2 1 211.309 -0.114 20 0 BBADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCN3C(=O)OC[C@@H]3C2)C1 ZINC000904341304 584867428 /nfs/dbraw/zinc/86/74/28/584867428.db2.gz NCGBFYNZWIXFNW-AEJSXWLSSA-N 2 1 225.292 -0.140 20 0 BBADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCN3C(=O)OC[C@H]3C2)C1 ZINC000904341305 584867296 /nfs/dbraw/zinc/86/72/96/584867296.db2.gz NCGBFYNZWIXFNW-KXUCPTDWSA-N 2 1 225.292 -0.140 20 0 BBADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCN3CCOC[C@H]3C2)C1 ZINC000904341491 584867525 /nfs/dbraw/zinc/86/75/25/584867525.db2.gz SCZRWUOWIQOWRR-GRYCIOLGSA-N 2 1 225.336 -0.260 20 0 BBADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCN3CCOC[C@@H]3C2)C1 ZINC000904341492 584867061 /nfs/dbraw/zinc/86/70/61/584867061.db2.gz SCZRWUOWIQOWRR-TUAOUCFPSA-N 2 1 225.336 -0.260 20 0 BBADMP C[C@]1(C(N)=O)CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904342991 584867167 /nfs/dbraw/zinc/86/71/67/584867167.db2.gz QEGJQZUUYZAGOI-NGZCFLSTSA-N 2 1 211.309 -0.079 20 0 BBADMP C[C@@]1(C(N)=O)CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904342992 584867908 /nfs/dbraw/zinc/86/79/08/584867908.db2.gz QEGJQZUUYZAGOI-WCABBAIRSA-N 2 1 211.309 -0.079 20 0 BBADMP C[N@@H+](CCOCCO)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343830 584867754 /nfs/dbraw/zinc/86/77/54/584867754.db2.gz XWUUVGSSKFATBH-AOOOYVTPSA-N 2 1 202.298 -0.336 20 0 BBADMP COC(=O)[C@H]1[C@H](O)CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345231 584868109 /nfs/dbraw/zinc/86/81/09/584868109.db2.gz AXLHICJWVTZEEC-LMLFDSFASA-N 2 1 242.319 -0.278 20 0 BBADMP COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345232 584868241 /nfs/dbraw/zinc/86/82/41/584868241.db2.gz AXLHICJWVTZEEC-VLEAKVRGSA-N 2 1 242.319 -0.278 20 0 BBADMP COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345233 584868298 /nfs/dbraw/zinc/86/82/98/584868298.db2.gz AXLHICJWVTZEEC-YTWAJWBKSA-N 2 1 242.319 -0.278 20 0 BBADMP COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345234 584868199 /nfs/dbraw/zinc/86/81/99/584868199.db2.gz AXLHICJWVTZEEC-ZRUFSTJUSA-N 2 1 242.319 -0.278 20 0 BBADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H](CO)O1 ZINC000904345285 584868492 /nfs/dbraw/zinc/86/84/92/584868492.db2.gz CGTIXFMREICFFH-CHWFTXMASA-N 2 1 214.309 -0.195 20 0 BBADMP C[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H](CO)O1 ZINC000904345286 584868509 /nfs/dbraw/zinc/86/85/09/584868509.db2.gz CGTIXFMREICFFH-MMWGEVLESA-N 2 1 214.309 -0.195 20 0 BBADMP C[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H](CO)O1 ZINC000904345287 584868174 /nfs/dbraw/zinc/86/81/74/584868174.db2.gz CGTIXFMREICFFH-UKKRHICBSA-N 2 1 214.309 -0.195 20 0 BBADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H](CO)O1 ZINC000904345288 584868254 /nfs/dbraw/zinc/86/82/54/584868254.db2.gz CGTIXFMREICFFH-ZNSHCXBVSA-N 2 1 214.309 -0.195 20 0 BBADMP CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCNC1=O ZINC000904349999 584869179 /nfs/dbraw/zinc/86/91/79/584869179.db2.gz GCYINMYNNANHPW-AEJSXWLSSA-N 2 1 211.309 -0.066 20 0 BBADMP CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCNC1=O ZINC000904350000 584869124 /nfs/dbraw/zinc/86/91/24/584869124.db2.gz GCYINMYNNANHPW-KXUCPTDWSA-N 2 1 211.309 -0.066 20 0 BBADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@@H]3COC[C@H](C2)O3)C1 ZINC000904351531 584869538 /nfs/dbraw/zinc/86/95/38/584869538.db2.gz XOKMSCJZNHEOSC-DTIDVZRVSA-N 2 1 212.293 -0.177 20 0 BBADMP CCNCC[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904352976 584870056 /nfs/dbraw/zinc/87/00/56/584870056.db2.gz FBUBNWHJHGBGHZ-UHFFFAOYSA-N 3 1 214.357 -0.391 20 0 BBADMP [NH3+]CCN1CCC(N[C@@H]2CCC[NH2+]C2)CC1 ZINC000904353419 584870024 /nfs/dbraw/zinc/87/00/24/584870024.db2.gz MBMLHLIZRWPYBQ-GFCCVEGCSA-N 2 1 226.368 -0.249 20 0 BBADMP [NH3+]CCN1CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC000904353419 584870022 /nfs/dbraw/zinc/87/00/22/584870022.db2.gz MBMLHLIZRWPYBQ-GFCCVEGCSA-N 2 1 226.368 -0.249 20 0 BBADMP [NH3+]CCN1CCC(N[C@H]2CCC[NH2+]C2)CC1 ZINC000904353420 584869938 /nfs/dbraw/zinc/86/99/38/584869938.db2.gz MBMLHLIZRWPYBQ-LBPRGKRZSA-N 2 1 226.368 -0.249 20 0 BBADMP [NH3+]CCN1CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC000904353420 584869937 /nfs/dbraw/zinc/86/99/37/584869937.db2.gz MBMLHLIZRWPYBQ-LBPRGKRZSA-N 2 1 226.368 -0.249 20 0 BBADMP [NH3+]CCN1CCC(NC[C@H]2CCC[NH2+]2)CC1 ZINC000904353572 584869978 /nfs/dbraw/zinc/86/99/78/584869978.db2.gz NNOFQHZSRWZKPB-GFCCVEGCSA-N 2 1 226.368 -0.249 20 0 BBADMP [NH3+]CCN1CCC(NC[C@@H]2CCC[NH2+]2)CC1 ZINC000904353573 584869889 /nfs/dbraw/zinc/86/98/89/584869889.db2.gz NNOFQHZSRWZKPB-LBPRGKRZSA-N 2 1 226.368 -0.249 20 0 BBADMP C[C@@]1(CNCCN2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000904354428 584870379 /nfs/dbraw/zinc/87/03/79/584870379.db2.gz YAGHGHMTQFTLRH-CYBMUJFWSA-N 2 1 240.395 -0.129 20 0 BBADMP C[C@]1(CNCCN2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000904354429 584870350 /nfs/dbraw/zinc/87/03/50/584870350.db2.gz YAGHGHMTQFTLRH-ZDUSSCGKSA-N 2 1 240.395 -0.129 20 0 BBADMP NC1(C[NH2+]C2CCN(CC[NH3+])CC2)CCC1 ZINC000904356301 584871303 /nfs/dbraw/zinc/87/13/03/584871303.db2.gz VLLUZCWYDLSXBG-UHFFFAOYSA-N 2 1 226.368 -0.120 20 0 BBADMP [NH3+]CCN1CCC(NCC(F)(F)C[NH3+])CC1 ZINC000904356331 584871225 /nfs/dbraw/zinc/87/12/25/584871225.db2.gz VZWADVJPRBUAJY-UHFFFAOYSA-N 2 1 236.310 -0.407 20 0 BBADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904356754 584871126 /nfs/dbraw/zinc/87/11/26/584871126.db2.gz ZTURNCQCMJXNHN-AAEUAGOBSA-N 3 1 240.395 -0.003 20 0 BBADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904356755 584871087 /nfs/dbraw/zinc/87/10/87/584871087.db2.gz ZTURNCQCMJXNHN-DGCLKSJQSA-N 3 1 240.395 -0.003 20 0 BBADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904356756 584871259 /nfs/dbraw/zinc/87/12/59/584871259.db2.gz ZTURNCQCMJXNHN-WCQYABFASA-N 3 1 240.395 -0.003 20 0 BBADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904356757 584871413 /nfs/dbraw/zinc/87/14/13/584871413.db2.gz ZTURNCQCMJXNHN-YPMHNXCESA-N 3 1 240.395 -0.003 20 0 BBADMP C[N@H+](Cc1ccc(C[NH3+])cc1)C[C@H](O)C[NH3+] ZINC000904357888 584871938 /nfs/dbraw/zinc/87/19/38/584871938.db2.gz DHPVBZKHULWFCC-GFCCVEGCSA-N 3 1 223.320 -0.103 20 0 BBADMP C[N@@H+](Cc1ccc(C[NH3+])cc1)C[C@H](O)C[NH3+] ZINC000904357888 584871936 /nfs/dbraw/zinc/87/19/36/584871936.db2.gz DHPVBZKHULWFCC-GFCCVEGCSA-N 3 1 223.320 -0.103 20 0 BBADMP C[N@H+](Cc1ccc(C[NH3+])cc1)C[C@@H](O)C[NH3+] ZINC000904357889 584872459 /nfs/dbraw/zinc/87/24/59/584872459.db2.gz DHPVBZKHULWFCC-LBPRGKRZSA-N 3 1 223.320 -0.103 20 0 BBADMP C[N@@H+](Cc1ccc(C[NH3+])cc1)C[C@@H](O)C[NH3+] ZINC000904357889 584872457 /nfs/dbraw/zinc/87/24/57/584872457.db2.gz DHPVBZKHULWFCC-LBPRGKRZSA-N 3 1 223.320 -0.103 20 0 BBADMP C[C@]1(C[NH2+]C[C@H]2CNCCO2)CCC[NH2+]C1 ZINC000904370532 584873448 /nfs/dbraw/zinc/87/34/48/584873448.db2.gz AAPNURWELFKEOW-NEPJUHHUSA-N 2 1 227.352 -0.046 20 0 BBADMP C[C@@]1(C[NH2+]C[C@@H]2CNCCO2)CCC[NH2+]C1 ZINC000904370533 584873391 /nfs/dbraw/zinc/87/33/91/584873391.db2.gz AAPNURWELFKEOW-NWDGAFQWSA-N 2 1 227.352 -0.046 20 0 BBADMP C[C@]1(C[NH2+]C[C@@H]2CNCCO2)CCC[NH2+]C1 ZINC000904370534 584873066 /nfs/dbraw/zinc/87/30/66/584873066.db2.gz AAPNURWELFKEOW-RYUDHWBXSA-N 2 1 227.352 -0.046 20 0 BBADMP C[C@@]1(C[NH2+]C[C@H]2CNCCO2)CCC[NH2+]C1 ZINC000904370535 584873234 /nfs/dbraw/zinc/87/32/34/584873234.db2.gz AAPNURWELFKEOW-VXGBXAGGSA-N 2 1 227.352 -0.046 20 0 BBADMP C[C@@H](O)[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904373545 584873722 /nfs/dbraw/zinc/87/37/22/584873722.db2.gz SYANCRAFJSVRQB-CHWFTXMASA-N 2 1 214.309 -0.195 20 0 BBADMP C[C@H](O)[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904373546 584874032 /nfs/dbraw/zinc/87/40/32/584874032.db2.gz SYANCRAFJSVRQB-MMWGEVLESA-N 2 1 214.309 -0.195 20 0 BBADMP C[C@H](O)[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904373547 584873746 /nfs/dbraw/zinc/87/37/46/584873746.db2.gz SYANCRAFJSVRQB-UKKRHICBSA-N 2 1 214.309 -0.195 20 0 BBADMP C[C@@H](O)[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904373548 584873945 /nfs/dbraw/zinc/87/39/45/584873945.db2.gz SYANCRAFJSVRQB-ZNSHCXBVSA-N 2 1 214.309 -0.195 20 0 BBADMP [NH3+][C@H]1C[C@@H](CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000904376215 584876423 /nfs/dbraw/zinc/87/64/23/584876423.db2.gz MTUCEQYBHHPUOD-WHOHXGKFSA-N 2 1 225.336 -0.526 20 0 BBADMP [NH3+][C@H]1C[C@@H](CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000904376215 584876422 /nfs/dbraw/zinc/87/64/22/584876422.db2.gz MTUCEQYBHHPUOD-WHOHXGKFSA-N 2 1 225.336 -0.526 20 0 BBADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000904376215 584876421 /nfs/dbraw/zinc/87/64/21/584876421.db2.gz MTUCEQYBHHPUOD-WHOHXGKFSA-N 2 1 225.336 -0.526 20 0 BBADMP COC(=O)[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000904376444 584876134 /nfs/dbraw/zinc/87/61/34/584876134.db2.gz SINVLGNZYUBTJY-MMWGEVLESA-N 2 1 242.319 -0.014 20 0 BBADMP CNC[C@H](C)[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904378679 584875827 /nfs/dbraw/zinc/87/58/27/584875827.db2.gz IBOTZIVGACUDNB-JTQLQIEISA-N 2 1 214.357 -0.393 20 0 BBADMP CNC[C@@H](C)[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904378680 584876009 /nfs/dbraw/zinc/87/60/09/584876009.db2.gz IBOTZIVGACUDNB-SNVBAGLBSA-N 2 1 214.357 -0.393 20 0 BBADMP [NH3+]CCN1CCC(NCC23CC(C2)C[NH2+]3)CC1 ZINC000904379019 584876614 /nfs/dbraw/zinc/87/66/14/584876614.db2.gz PLHNFRYXVGHFAE-UHFFFAOYSA-N 2 1 238.379 -0.249 20 0 BBADMP CN1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCC1=O ZINC000904379726 584876663 /nfs/dbraw/zinc/87/66/63/584876663.db2.gz VOPLMCQXWJARFV-AOOOYVTPSA-N 2 1 211.309 -0.112 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(N)nn1 ZINC000904380092 584876690 /nfs/dbraw/zinc/87/66/90/584876690.db2.gz HFPRHXFILKMVCG-UHFFFAOYSA-N 2 1 239.323 -0.273 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904380924 584876606 /nfs/dbraw/zinc/87/66/06/584876606.db2.gz QGOLFSQRJVRSEI-PHIMTYICSA-N 3 1 215.341 -0.109 20 0 BBADMP C[C@]1(CNC[C@@H]2COCC[NH2+]2)CCC[NH2+]C1 ZINC000904381244 584876562 /nfs/dbraw/zinc/87/65/62/584876562.db2.gz LZELVWLAHSCJCW-NEPJUHHUSA-N 2 1 227.352 -0.046 20 0 BBADMP C[C@@]1(CNC[C@H]2COCC[NH2+]2)CCC[NH2+]C1 ZINC000904381246 584876765 /nfs/dbraw/zinc/87/67/65/584876765.db2.gz LZELVWLAHSCJCW-NWDGAFQWSA-N 2 1 227.352 -0.046 20 0 BBADMP C[C@]1(CNC[C@H]2COCC[NH2+]2)CCC[NH2+]C1 ZINC000904381248 584876742 /nfs/dbraw/zinc/87/67/42/584876742.db2.gz LZELVWLAHSCJCW-RYUDHWBXSA-N 2 1 227.352 -0.046 20 0 BBADMP C[C@@]1(CNC[C@@H]2COCC[NH2+]2)CCC[NH2+]C1 ZINC000904381249 584876917 /nfs/dbraw/zinc/87/69/17/584876917.db2.gz LZELVWLAHSCJCW-VXGBXAGGSA-N 2 1 227.352 -0.046 20 0 BBADMP COC(=O)[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000904381284 584876747 /nfs/dbraw/zinc/87/67/47/584876747.db2.gz SINVLGNZYUBTJY-ZNSHCXBVSA-N 2 1 242.319 -0.014 20 0 BBADMP C[N@@H+](CCOCC[NH3+])C[C@H]1C[C@@H]([NH3+])C1 ZINC000904381380 584876725 /nfs/dbraw/zinc/87/67/25/584876725.db2.gz MQKTUZATSMOXFE-AOOOYVTPSA-N 3 1 201.314 -0.369 20 0 BBADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904381990 584877062 /nfs/dbraw/zinc/87/70/62/584877062.db2.gz ZUZYDJZRSNUCRT-CMPLNLGQSA-N 3 1 226.368 -0.251 20 0 BBADMP CN1C(=O)[C@H]2C[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C[C@H]2C1=O ZINC000904383945 584877238 /nfs/dbraw/zinc/87/72/38/584877238.db2.gz DRPIWFUAWNEJKD-YNFQOJQRSA-N 2 1 237.303 -0.730 20 0 BBADMP C[S@@](=N)(=O)N1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904385109 584877135 /nfs/dbraw/zinc/87/71/35/584877135.db2.gz SLISUHDFDHQYAO-IEVXNVSRSA-N 2 1 246.380 -0.067 20 0 BBADMP C[S@](=N)(=O)N1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904385110 584877362 /nfs/dbraw/zinc/87/73/62/584877362.db2.gz SLISUHDFDHQYAO-KCWFYHRYSA-N 2 1 246.380 -0.067 20 0 BBADMP C[C@@]1(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)CCC[NH2+]C1 ZINC000904385367 584877871 /nfs/dbraw/zinc/87/78/71/584877871.db2.gz WSFGUGWDAFILQZ-GRYCIOLGSA-N 2 1 228.336 -0.196 20 0 BBADMP C[C@@]1(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)CCC[NH2+]C1 ZINC000904385367 584877870 /nfs/dbraw/zinc/87/78/70/584877870.db2.gz WSFGUGWDAFILQZ-GRYCIOLGSA-N 2 1 228.336 -0.196 20 0 BBADMP C[C@]1(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)CCC[NH2+]C1 ZINC000904385368 584878158 /nfs/dbraw/zinc/87/81/58/584878158.db2.gz WSFGUGWDAFILQZ-WOPDTQHZSA-N 2 1 228.336 -0.196 20 0 BBADMP C[C@]1(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)CCC[NH2+]C1 ZINC000904385368 584878156 /nfs/dbraw/zinc/87/81/56/584878156.db2.gz WSFGUGWDAFILQZ-WOPDTQHZSA-N 2 1 228.336 -0.196 20 0 BBADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904389050 584874991 /nfs/dbraw/zinc/87/49/91/584874991.db2.gz ROIPDUIFHBFWGA-ZYHUDNBSSA-N 3 1 226.368 -0.393 20 0 BBADMP CC(C)(C)[NH2+]CCN1CCNCC[NH2+]CC1 ZINC000904395783 584875409 /nfs/dbraw/zinc/87/54/09/584875409.db2.gz DCDSGJNSMCMQMP-UHFFFAOYSA-N 2 1 228.384 -0.131 20 0 BBADMP C[C@@]1(CN2CCNCC[NH2+]CC2)CC[NH2+]C1 ZINC000904395830 584875480 /nfs/dbraw/zinc/87/54/80/584875480.db2.gz GZFVVUFJJBPVSZ-GFCCVEGCSA-N 2 1 226.368 -0.519 20 0 BBADMP C[C@]1(CN2CCNCC[NH2+]CC2)CC[NH2+]C1 ZINC000904395831 584875640 /nfs/dbraw/zinc/87/56/40/584875640.db2.gz GZFVVUFJJBPVSZ-LBPRGKRZSA-N 2 1 226.368 -0.519 20 0 BBADMP CC(C)[C@H](C[NH3+])CN1CCNCC[NH2+]CC1 ZINC000904395997 584875690 /nfs/dbraw/zinc/87/56/90/584875690.db2.gz IWIVZBANEDVKLB-GFCCVEGCSA-N 2 1 228.384 -0.288 20 0 BBADMP CC(C)[C@@H](C[NH3+])CN1CCNCC[NH2+]CC1 ZINC000904396005 584875258 /nfs/dbraw/zinc/87/52/58/584875258.db2.gz IWIVZBANEDVKLB-LBPRGKRZSA-N 2 1 228.384 -0.288 20 0 BBADMP CC(C)([NH3+])CN1CCNCC[NH2+]CC1 ZINC000904396059 584875760 /nfs/dbraw/zinc/87/57/60/584875760.db2.gz CRIMBOJIPPNGJN-UHFFFAOYSA-N 2 1 200.330 -0.782 20 0 BBADMP CC(C)C[C@@H]([NH3+])CN1CCNCC[NH2+]CC1 ZINC000904396801 584875626 /nfs/dbraw/zinc/87/56/26/584875626.db2.gz VZHDOFHGFVTGSD-GFCCVEGCSA-N 2 1 228.384 -0.145 20 0 BBADMP CC(C)C[C@H]([NH3+])CN1CCNCC[NH2+]CC1 ZINC000904396802 584875285 /nfs/dbraw/zinc/87/52/85/584875285.db2.gz VZHDOFHGFVTGSD-LBPRGKRZSA-N 2 1 228.384 -0.145 20 0 BBADMP C[C@@]1(CN2CCNCC[NH2+]CC2)CCC[NH2+]C1 ZINC000904396809 584875705 /nfs/dbraw/zinc/87/57/05/584875705.db2.gz WGOCNOIHQXHUHD-CYBMUJFWSA-N 2 1 240.395 -0.129 20 0 BBADMP C[C@]1(CN2CCNCC[NH2+]CC2)CCC[NH2+]C1 ZINC000904396810 584875422 /nfs/dbraw/zinc/87/54/22/584875422.db2.gz WGOCNOIHQXHUHD-ZDUSSCGKSA-N 2 1 240.395 -0.129 20 0 BBADMP [NH3+]CC1(CN2CCNCC[NH2+]CC2)CC1 ZINC000904396866 584875526 /nfs/dbraw/zinc/87/55/26/584875526.db2.gz XSFYWCXFRMKURH-UHFFFAOYSA-N 2 1 212.341 -0.780 20 0 BBADMP [NH3+][C@H]1C[C@@H](CN2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000904407316 584879364 /nfs/dbraw/zinc/87/93/64/584879364.db2.gz TWORDWBMWAVMFG-AXFHLTTASA-N 2 1 213.325 -0.491 20 0 BBADMP N[C@@]1(CO)CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904407316 584879363 /nfs/dbraw/zinc/87/93/63/584879363.db2.gz TWORDWBMWAVMFG-AXFHLTTASA-N 2 1 213.325 -0.491 20 0 BBADMP [NH3+][C@H]1C[C@@H](CN2CCC[C@]([NH3+])(CO)C2)C1 ZINC000904407317 584879135 /nfs/dbraw/zinc/87/91/35/584879135.db2.gz TWORDWBMWAVMFG-OUAUKWLOSA-N 2 1 213.325 -0.491 20 0 BBADMP N[C@]1(CO)CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904407317 584879133 /nfs/dbraw/zinc/87/91/33/584879133.db2.gz TWORDWBMWAVMFG-OUAUKWLOSA-N 2 1 213.325 -0.491 20 0 BBADMP CC1(C)C[NH2+]C[C@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904461657 637407095 /nfs/dbraw/zinc/40/70/95/637407095.db2.gz LPWVUFYRHAXBTN-GFCCVEGCSA-N 3 1 240.395 -0.003 20 0 BBADMP CC1(C)C[NH2+]C[C@@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904461658 637406812 /nfs/dbraw/zinc/40/68/12/637406812.db2.gz LPWVUFYRHAXBTN-LBPRGKRZSA-N 3 1 240.395 -0.003 20 0 BBADMP C[C@@H]1C[N@@H+](CC(C)(C)[NH3+])C[C@H]1CS(N)(=O)=O ZINC000904463290 637406992 /nfs/dbraw/zinc/40/69/92/637406992.db2.gz OZLFBHCJNWMPDV-BDAKNGLRSA-N 2 1 249.380 -0.420 20 0 BBADMP C[C@@H]1C[N@H+](CC(C)(C)[NH3+])C[C@H]1CS(N)(=O)=O ZINC000904463290 637406988 /nfs/dbraw/zinc/40/69/88/637406988.db2.gz OZLFBHCJNWMPDV-BDAKNGLRSA-N 2 1 249.380 -0.420 20 0 BBADMP C[NH+]1CCC([NH2+]C[C@@H](O)C2(O)CCC2)CC1 ZINC000905025857 637575271 /nfs/dbraw/zinc/57/52/71/637575271.db2.gz NCJYFLMUDVWZKN-LLVKDONJSA-N 2 1 228.336 -0.054 20 0 BBADMP C[NH+]1CCC([NH2+]C[C@H](O)C2(O)CCC2)CC1 ZINC000905025865 637575229 /nfs/dbraw/zinc/57/52/29/637575229.db2.gz NCJYFLMUDVWZKN-NSHDSACASA-N 2 1 228.336 -0.054 20 0 BBADMP CN1CC[N@@H+](C)CC(C(=O)NCC[NH+](C)C)C1 ZINC000905049452 637567209 /nfs/dbraw/zinc/56/72/09/637567209.db2.gz AUJUMYZMSCKOSU-UHFFFAOYSA-N 2 1 242.367 -0.842 20 0 BBADMP CN1CC[C@H]1CNC(=O)NCCn1ccnc1 ZINC000905146650 637655737 /nfs/dbraw/zinc/65/57/37/637655737.db2.gz AUFDITHZDABTDI-JTQLQIEISA-N 2 1 237.307 -0.114 20 0 BBADMP C[N@H+]1CC[C@H]1CNC(=O)NCCn1ccnc1 ZINC000905146650 637655730 /nfs/dbraw/zinc/65/57/30/637655730.db2.gz AUFDITHZDABTDI-JTQLQIEISA-N 2 1 237.307 -0.114 20 0 BBADMP CN1CC[C@@H]1CNC(=O)NCCn1ccnc1 ZINC000905146656 637657200 /nfs/dbraw/zinc/65/72/00/637657200.db2.gz AUFDITHZDABTDI-SNVBAGLBSA-N 2 1 237.307 -0.114 20 0 BBADMP C[N@H+]1CC[C@@H]1CNC(=O)NCCn1ccnc1 ZINC000905146656 637657194 /nfs/dbraw/zinc/65/71/94/637657194.db2.gz AUFDITHZDABTDI-SNVBAGLBSA-N 2 1 237.307 -0.114 20 0 BBADMP C[NH+](C)C[C@H](O)CNC[C@@H](O)C1(O)CCCC1 ZINC000905347273 637769033 /nfs/dbraw/zinc/76/90/33/637769033.db2.gz XXOCKKJSEBCEIN-GHMZBOCLSA-N 2 1 246.351 -0.836 20 0 BBADMP C[NH+](C)C[C@H](O)CNC[C@H](O)C1(O)CCCC1 ZINC000905347274 637768836 /nfs/dbraw/zinc/76/88/36/637768836.db2.gz XXOCKKJSEBCEIN-MNOVXSKESA-N 2 1 246.351 -0.836 20 0 BBADMP C[NH+](C)C[C@@H](O)CNC[C@H](O)C1(O)CCCC1 ZINC000905347275 637769609 /nfs/dbraw/zinc/76/96/09/637769609.db2.gz XXOCKKJSEBCEIN-QWRGUYRKSA-N 2 1 246.351 -0.836 20 0 BBADMP C[NH+](C)C[C@@H](O)CNC[C@@H](O)C1(O)CCCC1 ZINC000905347276 637769919 /nfs/dbraw/zinc/76/99/19/637769919.db2.gz XXOCKKJSEBCEIN-WDEREUQCSA-N 2 1 246.351 -0.836 20 0 BBADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905355206 637773504 /nfs/dbraw/zinc/77/35/04/637773504.db2.gz UVRFNUJBUSHXFQ-GHMZBOCLSA-N 2 1 246.351 -0.788 20 0 BBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905355207 637772909 /nfs/dbraw/zinc/77/29/09/637772909.db2.gz UVRFNUJBUSHXFQ-MNOVXSKESA-N 2 1 246.351 -0.788 20 0 BBADMP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000905355208 637775125 /nfs/dbraw/zinc/77/51/25/637775125.db2.gz UVRFNUJBUSHXFQ-QWRGUYRKSA-N 2 1 246.351 -0.788 20 0 BBADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000905355209 637775920 /nfs/dbraw/zinc/77/59/20/637775920.db2.gz UVRFNUJBUSHXFQ-WDEREUQCSA-N 2 1 246.351 -0.788 20 0 BBADMP CCO[C@H](C[NH2+]C[C@@H](C)O)C[NH+](C)C ZINC000905574601 637850068 /nfs/dbraw/zinc/85/00/68/637850068.db2.gz BRIMVRCFXPWDMG-NXEZZACHSA-N 2 1 204.314 -0.077 20 0 BBADMP CCO[C@@H](C[NH2+]C[C@H](C)O)C[NH+](C)C ZINC000905574619 637850718 /nfs/dbraw/zinc/85/07/18/637850718.db2.gz BRIMVRCFXPWDMG-UWVGGRQHSA-N 2 1 204.314 -0.077 20 0 BBADMP CCO[C@H](C[NH2+]C[C@H](C)O)C[NH+](C)C ZINC000905574620 637850133 /nfs/dbraw/zinc/85/01/33/637850133.db2.gz BRIMVRCFXPWDMG-VHSXEESVSA-N 2 1 204.314 -0.077 20 0 BBADMP CCO[C@@H](C[NH2+]C[C@@H](C)O)C[NH+](C)C ZINC000905574622 637850991 /nfs/dbraw/zinc/85/09/91/637850991.db2.gz BRIMVRCFXPWDMG-ZJUUUORDSA-N 2 1 204.314 -0.077 20 0 BBADMP CCO[C@H](C[NH2+]CCC(N)=O)C[NH+](C)C ZINC000905581892 637853294 /nfs/dbraw/zinc/85/32/94/637853294.db2.gz ZLLFMNDNRZQESG-SECBINFHSA-N 2 1 217.313 -0.582 20 0 BBADMP CCO[C@@H](C[NH2+]CCC(N)=O)C[NH+](C)C ZINC000905581893 637853841 /nfs/dbraw/zinc/85/38/41/637853841.db2.gz ZLLFMNDNRZQESG-VIFPVBQESA-N 2 1 217.313 -0.582 20 0 BBADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1C[C@H](CO)C1)C1CC1 ZINC000905639692 637878657 /nfs/dbraw/zinc/87/86/57/637878657.db2.gz MFJZFDRXZOXKSQ-CKYFFXLPSA-N 2 1 228.336 -0.198 20 0 BBADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1C[C@H](CO)C1)C1CC1 ZINC000905639692 637878652 /nfs/dbraw/zinc/87/86/52/637878652.db2.gz MFJZFDRXZOXKSQ-CKYFFXLPSA-N 2 1 228.336 -0.198 20 0 BBADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1C[C@H](CO)C1)C1CC1 ZINC000905639693 637879219 /nfs/dbraw/zinc/87/92/19/637879219.db2.gz MFJZFDRXZOXKSQ-NHCYSSNCSA-N 2 1 228.336 -0.198 20 0 BBADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1C[C@H](CO)C1)C1CC1 ZINC000905639693 637879214 /nfs/dbraw/zinc/87/92/14/637879214.db2.gz MFJZFDRXZOXKSQ-NHCYSSNCSA-N 2 1 228.336 -0.198 20 0 BBADMP C[NH+](C)CCNC(=S)NC[C@H]1CC[N@H+]1C ZINC000905649492 637870900 /nfs/dbraw/zinc/87/09/00/637870900.db2.gz XPTHIZKZCMMWJJ-SECBINFHSA-N 2 1 230.381 -0.284 20 0 BBADMP C[NH+](C)CCNC(=S)NC[C@@H]1CC[N@H+]1C ZINC000905649502 637870808 /nfs/dbraw/zinc/87/08/08/637870808.db2.gz XPTHIZKZCMMWJJ-VIFPVBQESA-N 2 1 230.381 -0.284 20 0 BBADMP O[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1(O)CCCC1 ZINC000905914336 637973406 /nfs/dbraw/zinc/97/34/06/637973406.db2.gz FCCQADKMPSKOAS-GRYCIOLGSA-N 2 1 240.347 -0.196 20 0 BBADMP O[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1(O)CCCC1 ZINC000905914342 637973100 /nfs/dbraw/zinc/97/31/00/637973100.db2.gz FCCQADKMPSKOAS-TUAOUCFPSA-N 2 1 240.347 -0.196 20 0 BBADMP CC[N@@H+](C)C[C@@H](O)CN1CC(COC)C1 ZINC000905970814 637986231 /nfs/dbraw/zinc/98/62/31/637986231.db2.gz KDLVWNJFPAADMO-LLVKDONJSA-N 2 1 216.325 -0.123 20 0 BBADMP CC[N@@H+](C)C[C@H](O)CN1CC(COC)C1 ZINC000905970815 637986753 /nfs/dbraw/zinc/98/67/53/637986753.db2.gz KDLVWNJFPAADMO-NSHDSACASA-N 2 1 216.325 -0.123 20 0 BBADMP C[C@@H](C[NH+](C)C)NC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000908195694 638600698 /nfs/dbraw/zinc/60/06/98/638600698.db2.gz QGOUPMIXEPZPKV-HOSYDEDBSA-N 2 1 243.351 -0.492 20 0 BBADMP C[C@@H](C[NH+](C)C)NC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000908195695 638600225 /nfs/dbraw/zinc/60/02/25/638600225.db2.gz QGOUPMIXEPZPKV-JBLDHEPKSA-N 2 1 243.351 -0.492 20 0 BBADMP C[C@@H](C[NH+](C)C)NC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000908195696 638599805 /nfs/dbraw/zinc/59/98/05/638599805.db2.gz QGOUPMIXEPZPKV-NHCYSSNCSA-N 2 1 243.351 -0.492 20 0 BBADMP C[C@@H](C[NH+](C)C)NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000908195697 638600458 /nfs/dbraw/zinc/60/04/58/638600458.db2.gz QGOUPMIXEPZPKV-UMNHJUIQSA-N 2 1 243.351 -0.492 20 0 BBADMP C[NH+](C)C[C@@H](CO)NC(=O)C[N@@H+](C)C1CCC1 ZINC000908201447 638610234 /nfs/dbraw/zinc/61/02/34/638610234.db2.gz PCVXUFUYXKGVDF-JTQLQIEISA-N 2 1 243.351 -0.491 20 0 BBADMP C[NH+](C)C[C@H](CO)NC(=O)C[N@@H+](C)C1CCC1 ZINC000908201449 638610470 /nfs/dbraw/zinc/61/04/70/638610470.db2.gz PCVXUFUYXKGVDF-SNVBAGLBSA-N 2 1 243.351 -0.491 20 0 BBADMP C[NH+](C)CCONC(=O)C12CC[NH+](CC1)C2 ZINC000908528448 638999008 /nfs/dbraw/zinc/99/90/08/638999008.db2.gz QZHFKHGVNMLKHA-UHFFFAOYSA-N 2 1 227.308 -0.308 20 0 BBADMP C[C@@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)[NH+](C)C ZINC000911560231 639666153 /nfs/dbraw/zinc/66/61/53/639666153.db2.gz WJZXCDUUOGGVAT-HOSYDEDBSA-N 2 1 243.351 -0.492 20 0 BBADMP C[C@@H](CNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C)[NH+](C)C ZINC000911560232 639666669 /nfs/dbraw/zinc/66/66/69/639666669.db2.gz WJZXCDUUOGGVAT-JBLDHEPKSA-N 2 1 243.351 -0.492 20 0 BBADMP C[C@@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)[NH+](C)C ZINC000911560233 639668165 /nfs/dbraw/zinc/66/81/65/639668165.db2.gz WJZXCDUUOGGVAT-NHCYSSNCSA-N 2 1 243.351 -0.492 20 0 BBADMP C[C@@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)[NH+](C)C ZINC000911560234 639667725 /nfs/dbraw/zinc/66/77/25/639667725.db2.gz WJZXCDUUOGGVAT-UMNHJUIQSA-N 2 1 243.351 -0.492 20 0 BBADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCC[NH3+])CC2 ZINC000911622319 639683146 /nfs/dbraw/zinc/68/31/46/639683146.db2.gz FJIXSJSFVUDHLA-SECBINFHSA-N 2 1 222.292 -0.171 20 0 BBADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC[NH3+])CC2 ZINC000911622321 639683126 /nfs/dbraw/zinc/68/31/26/639683126.db2.gz FJIXSJSFVUDHLA-VIFPVBQESA-N 2 1 222.292 -0.171 20 0 BBADMP [NH3+]CCNC(=O)[C@@H]1[NH2+]CCOc2ccccc21 ZINC000911630289 639689530 /nfs/dbraw/zinc/68/95/30/639689530.db2.gz UHCRWEBLOTWKJT-LLVKDONJSA-N 2 1 235.287 -0.215 20 0 BBADMP [NH3+]CCNC(=O)[C@H]1[NH2+]CCOc2ccccc21 ZINC000911630290 639689462 /nfs/dbraw/zinc/68/94/62/639689462.db2.gz UHCRWEBLOTWKJT-NSHDSACASA-N 2 1 235.287 -0.215 20 0 BBADMP Cc1sc(C[NH3+])nc1C(=O)NCCC[NH3+] ZINC000911647922 639702199 /nfs/dbraw/zinc/70/21/99/639702199.db2.gz KCIHFQRFLDYBJG-UHFFFAOYSA-N 2 1 228.321 -0.011 20 0 BBADMP C[NH2+]CCCNC(=O)c1cnc(C[NH3+])s1 ZINC000911675342 639716329 /nfs/dbraw/zinc/71/63/29/639716329.db2.gz CPJYWPMKYNZVGJ-UHFFFAOYSA-N 2 1 228.321 -0.059 20 0 BBADMP C[NH2+]CCNC(=O)c1nc(C[NH3+])sc1C ZINC000911748035 639772952 /nfs/dbraw/zinc/77/29/52/639772952.db2.gz IFJFFBBFDUGJNU-UHFFFAOYSA-N 2 1 228.321 -0.141 20 0 BBADMP CC[NH2+]CCNC(=O)c1cnc(C[NH3+])s1 ZINC000911751475 639777749 /nfs/dbraw/zinc/77/77/49/639777749.db2.gz KAZYEQAHFRNINJ-UHFFFAOYSA-N 2 1 228.321 -0.059 20 0 BBADMP [NH3+]CCNCC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000911762497 639789357 /nfs/dbraw/zinc/78/93/57/639789357.db2.gz AFWSIXWDCMERFQ-UHFFFAOYSA-N 2 1 248.330 -0.329 20 0 BBADMP [NH3+]C[C@H](O)CC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000911762750 639787962 /nfs/dbraw/zinc/78/79/62/639787962.db2.gz DEPZGRBXNQVUOR-LLVKDONJSA-N 2 1 249.314 -0.168 20 0 BBADMP [NH3+]C[C@@H](O)CC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000911762765 639788409 /nfs/dbraw/zinc/78/84/09/639788409.db2.gz DEPZGRBXNQVUOR-NSHDSACASA-N 2 1 249.314 -0.168 20 0 BBADMP [NH3+][C@H](CO)C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000911764274 639790681 /nfs/dbraw/zinc/79/06/81/639790681.db2.gz SARGLNZHRBFTFX-SNVBAGLBSA-N 2 1 235.287 -0.558 20 0 BBADMP C[C@@H](C(=O)N(C)CC[N@@H+](C)CCO)[NH+](C)C ZINC000912598200 640122068 /nfs/dbraw/zinc/12/20/68/640122068.db2.gz FBKHSLHIWFZFDQ-JTQLQIEISA-N 2 1 231.340 -0.681 20 0 BBADMP C[C@H](C(=O)N(C)CC[N@@H+](C)CCO)[NH+](C)C ZINC000912598719 640121031 /nfs/dbraw/zinc/12/10/31/640121031.db2.gz FBKHSLHIWFZFDQ-SNVBAGLBSA-N 2 1 231.340 -0.681 20 0 BBADMP CN(CC[N@@H+](C)CCO)C(=O)C1([NH+](C)C)CC1 ZINC000912598986 640120555 /nfs/dbraw/zinc/12/05/55/640120555.db2.gz MQROECWQSTYEQJ-UHFFFAOYSA-N 2 1 243.351 -0.537 20 0 BBADMP CN(CC[NH+](C)CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC000912599811 640126009 /nfs/dbraw/zinc/12/60/09/640126009.db2.gz MRGGODFMNBIEQP-LLVKDONJSA-N 2 1 243.351 -0.537 20 0 BBADMP CN(CC[NH+](C)CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC000912599811 640125999 /nfs/dbraw/zinc/12/59/99/640125999.db2.gz MRGGODFMNBIEQP-LLVKDONJSA-N 2 1 243.351 -0.537 20 0 BBADMP CN(CC[N@@H+](C)CCO)C(=O)[C@H]1CCC[NH+]1C ZINC000912599811 640125985 /nfs/dbraw/zinc/12/59/85/640125985.db2.gz MRGGODFMNBIEQP-LLVKDONJSA-N 2 1 243.351 -0.537 20 0 BBADMP CN(CC[NH+](C)CCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC000912599812 640126972 /nfs/dbraw/zinc/12/69/72/640126972.db2.gz MRGGODFMNBIEQP-NSHDSACASA-N 2 1 243.351 -0.537 20 0 BBADMP CN(CC[NH+](C)CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000912599812 640126971 /nfs/dbraw/zinc/12/69/71/640126971.db2.gz MRGGODFMNBIEQP-NSHDSACASA-N 2 1 243.351 -0.537 20 0 BBADMP CN(CC[N@@H+](C)CCO)C(=O)[C@@H]1CCC[NH+]1C ZINC000912599812 640126969 /nfs/dbraw/zinc/12/69/69/640126969.db2.gz MRGGODFMNBIEQP-NSHDSACASA-N 2 1 243.351 -0.537 20 0 BBADMP CN(CC[N@@H+](C)CCO)C(=O)Cc1ncc[nH]1 ZINC000912603067 640134399 /nfs/dbraw/zinc/13/43/99/640134399.db2.gz BIFWXLYHYJXQEX-UHFFFAOYSA-N 2 1 240.307 -0.665 20 0 BBADMP CCC[NH+](C)CC(=O)N(C)CC[N@@H+](C)CCO ZINC000912607114 640137236 /nfs/dbraw/zinc/13/72/36/640137236.db2.gz QWSKTBTWDNVJDR-UHFFFAOYSA-N 2 1 245.367 -0.289 20 0 BBADMP CCC[NH+](C)CC(=O)N(C)CC[N@H+](C)CCO ZINC000912607114 640137230 /nfs/dbraw/zinc/13/72/30/640137230.db2.gz QWSKTBTWDNVJDR-UHFFFAOYSA-N 2 1 245.367 -0.289 20 0 BBADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH+](C)CCO ZINC000912607114 640137218 /nfs/dbraw/zinc/13/72/18/640137218.db2.gz QWSKTBTWDNVJDR-UHFFFAOYSA-N 2 1 245.367 -0.289 20 0 BBADMP CN(CC[N@@H+](C)CCO)C(=O)C[NH+]1CCCC1 ZINC000912607527 640138194 /nfs/dbraw/zinc/13/81/94/640138194.db2.gz HGILMDWHVPEALN-UHFFFAOYSA-N 2 1 243.351 -0.535 20 0 BBADMP CC[C@H](C(=O)N(C)CC[N@@H+](C)CCO)[NH+](C)C ZINC000912608437 640135381 /nfs/dbraw/zinc/13/53/81/640135381.db2.gz VNPHWFGSHQUVLW-LLVKDONJSA-N 2 1 245.367 -0.291 20 0 BBADMP CC[C@@H](C(=O)N(C)CC[N@@H+](C)CCO)[NH+](C)C ZINC000912608438 640138664 /nfs/dbraw/zinc/13/86/64/640138664.db2.gz VNPHWFGSHQUVLW-NSHDSACASA-N 2 1 245.367 -0.291 20 0 BBADMP CC(C)[NH+](C)CC(=O)N(C)CC[N@@H+](C)CCO ZINC000912609097 640136340 /nfs/dbraw/zinc/13/63/40/640136340.db2.gz XSISRSTVEJLEAS-UHFFFAOYSA-N 2 1 245.367 -0.291 20 0 BBADMP CC(C)[NH+](C)CC(=O)N(C)CC[N@H+](C)CCO ZINC000912609097 640136333 /nfs/dbraw/zinc/13/63/33/640136333.db2.gz XSISRSTVEJLEAS-UHFFFAOYSA-N 2 1 245.367 -0.291 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH+](C)CCO ZINC000912609097 640136328 /nfs/dbraw/zinc/13/63/28/640136328.db2.gz XSISRSTVEJLEAS-UHFFFAOYSA-N 2 1 245.367 -0.291 20 0 BBADMP CN(CC[N@@H+](C)CCO)C(=O)Cc1cnc[nH]1 ZINC000912611527 640138388 /nfs/dbraw/zinc/13/83/88/640138388.db2.gz DLXONVOCMJQKPM-UHFFFAOYSA-N 2 1 240.307 -0.665 20 0 BBADMP C[NH+](C)CC(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912918122 640242677 /nfs/dbraw/zinc/24/26/77/640242677.db2.gz VSLIVSDVFIDJCL-JTQLQIEISA-N 2 1 211.309 -0.145 20 0 BBADMP C[NH+](C)CC(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912918123 640244117 /nfs/dbraw/zinc/24/41/17/640244117.db2.gz VSLIVSDVFIDJCL-SNVBAGLBSA-N 2 1 211.309 -0.145 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)N1CCN(C)[C@@H](CO)C1 ZINC000913551358 640395968 /nfs/dbraw/zinc/39/59/68/640395968.db2.gz ONJYVDGXJIENNE-LLVKDONJSA-N 2 1 243.351 -0.539 20 0 BBADMP CC(C)[N@@H+](C)CC(=O)N1CCN(C)[C@H](CO)C1 ZINC000913551359 640397717 /nfs/dbraw/zinc/39/77/17/640397717.db2.gz ONJYVDGXJIENNE-NSHDSACASA-N 2 1 243.351 -0.539 20 0 BBADMP C[N@H+]1CC[C@H](C(=O)NC23CC[NH+](CC2)C3)C1 ZINC000913629775 641432853 /nfs/dbraw/zinc/43/28/53/641432853.db2.gz MGNSWBAOFSQHTR-JTQLQIEISA-N 2 1 223.320 -0.098 20 0 BBADMP C[N@H+]1CC[C@@H](C(=O)NC23CC[NH+](CC2)C3)C1 ZINC000913629776 641432413 /nfs/dbraw/zinc/43/24/13/641432413.db2.gz MGNSWBAOFSQHTR-SNVBAGLBSA-N 2 1 223.320 -0.098 20 0 BBADMP C[NH+](C)CCNC(=S)N[C@@H]1CC[N@@H+](C)C1 ZINC000919717617 642381235 /nfs/dbraw/zinc/38/12/35/642381235.db2.gz VGRILGPSIAOTBH-SECBINFHSA-N 2 1 230.381 -0.284 20 0 BBADMP C[NH+](C)CCNC(=S)N[C@H]1CC[N@@H+](C)C1 ZINC000919717635 642380457 /nfs/dbraw/zinc/38/04/57/642380457.db2.gz VGRILGPSIAOTBH-VIFPVBQESA-N 2 1 230.381 -0.284 20 0 BBADMP C[NH+](C)CCCS(=O)(=O)NC[C@@H]1CC[N@H+]1C ZINC000921412979 642613346 /nfs/dbraw/zinc/61/33/46/642613346.db2.gz ZWJRXVLOPFCODD-JTQLQIEISA-N 2 1 249.380 -0.438 20 0 BBADMP C[NH+](C)CCCS(=O)(=O)NC[C@@H]1CC[N@@H+]1C ZINC000921412979 642613342 /nfs/dbraw/zinc/61/33/42/642613342.db2.gz ZWJRXVLOPFCODD-JTQLQIEISA-N 2 1 249.380 -0.438 20 0 BBADMP C[NH+](C)CCCS(=O)(=O)NC[C@H]1CC[N@H+]1C ZINC000921412980 642614391 /nfs/dbraw/zinc/61/43/91/642614391.db2.gz ZWJRXVLOPFCODD-SNVBAGLBSA-N 2 1 249.380 -0.438 20 0 BBADMP C[NH+](C)CCCS(=O)(=O)NC[C@H]1CC[N@@H+]1C ZINC000921412980 642614390 /nfs/dbraw/zinc/61/43/90/642614390.db2.gz ZWJRXVLOPFCODD-SNVBAGLBSA-N 2 1 249.380 -0.438 20 0 BBADMP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CC[N@H+]1C ZINC000922479092 644000461 /nfs/dbraw/zinc/00/04/61/644000461.db2.gz QHOVTMXTRYLODY-UWVGGRQHSA-N 2 1 228.340 -0.060 20 0 BBADMP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CC[N@H+]1C ZINC000922479094 644000963 /nfs/dbraw/zinc/00/09/63/644000963.db2.gz QHOVTMXTRYLODY-VHSXEESVSA-N 2 1 228.340 -0.060 20 0 BBADMP C[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C)[NH+](C)C ZINC000922742688 644086442 /nfs/dbraw/zinc/08/64/42/644086442.db2.gz JWIFJLCVWJVVET-UWVGGRQHSA-N 2 1 228.340 -0.060 20 0 BBADMP C[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C)[NH+](C)C ZINC000922742691 644086542 /nfs/dbraw/zinc/08/65/42/644086542.db2.gz JWIFJLCVWJVVET-VHSXEESVSA-N 2 1 228.340 -0.060 20 0 BBADMP C[N@@H+](C[C@@H](O)Cn1cccn1)C1CC[NH2+]CC1 ZINC000923280317 644316170 /nfs/dbraw/zinc/31/61/70/644316170.db2.gz WRNZNEMVPBAXBA-GFCCVEGCSA-N 2 1 238.335 -0.072 20 0 BBADMP C[N@@H+](C[C@H](O)Cn1cccn1)C1CC[NH2+]CC1 ZINC000923280318 644314261 /nfs/dbraw/zinc/31/42/61/644314261.db2.gz WRNZNEMVPBAXBA-LBPRGKRZSA-N 2 1 238.335 -0.072 20 0 BBADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000923280484 644314370 /nfs/dbraw/zinc/31/43/70/644314370.db2.gz IWPYDNFSOBFRMS-NEPJUHHUSA-N 2 1 238.335 -0.085 20 0 BBADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000923280486 644315717 /nfs/dbraw/zinc/31/57/17/644315717.db2.gz IWPYDNFSOBFRMS-NWDGAFQWSA-N 2 1 238.335 -0.085 20 0 BBADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000923280488 644315856 /nfs/dbraw/zinc/31/58/56/644315856.db2.gz IWPYDNFSOBFRMS-RYUDHWBXSA-N 2 1 238.335 -0.085 20 0 BBADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000923280490 644314606 /nfs/dbraw/zinc/31/46/06/644314606.db2.gz IWPYDNFSOBFRMS-VXGBXAGGSA-N 2 1 238.335 -0.085 20 0 BBADMP CSC[C@@H](O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000923281022 644315304 /nfs/dbraw/zinc/31/53/04/644315304.db2.gz LLBMAFUXFWMFCM-BDAKNGLRSA-N 2 1 204.339 -0.009 20 0 BBADMP CSC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000923281024 644313683 /nfs/dbraw/zinc/31/36/83/644313683.db2.gz LLBMAFUXFWMFCM-DTWKUNHWSA-N 2 1 204.339 -0.009 20 0 BBADMP CSC[C@@H](O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000923281026 644316097 /nfs/dbraw/zinc/31/60/97/644316097.db2.gz LLBMAFUXFWMFCM-IUCAKERBSA-N 2 1 204.339 -0.009 20 0 BBADMP CSC[C@H](O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000923281028 644315268 /nfs/dbraw/zinc/31/52/68/644315268.db2.gz LLBMAFUXFWMFCM-RKDXNWHRSA-N 2 1 204.339 -0.009 20 0 BBADMP C[N@@H+](CCC[NH2+]C1CC1)CCN1CC[NH2+]CC1 ZINC000923285947 644321108 /nfs/dbraw/zinc/32/11/08/644321108.db2.gz JYQPJNOCQIWBAP-UHFFFAOYSA-N 3 1 240.395 -0.035 20 0 BBADMP C[N@H+](CCC[NH2+]C1CC1)CCN1CC[NH2+]CC1 ZINC000923285947 644321099 /nfs/dbraw/zinc/32/10/99/644321099.db2.gz JYQPJNOCQIWBAP-UHFFFAOYSA-N 3 1 240.395 -0.035 20 0 BBADMP CSC[C@H](O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000923286573 644321404 /nfs/dbraw/zinc/32/14/04/644321404.db2.gz OQUIDXWSOSGBNE-LLVKDONJSA-N 2 1 247.408 -0.453 20 0 BBADMP CSC[C@@H](O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000923286574 644321284 /nfs/dbraw/zinc/32/12/84/644321284.db2.gz OQUIDXWSOSGBNE-NSHDSACASA-N 2 1 247.408 -0.453 20 0 BBADMP C[C@@H]([NH3+])[C@H]1CCCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923286950 644320690 /nfs/dbraw/zinc/32/06/90/644320690.db2.gz BWBVSCOSYYKINY-DGORSVRFSA-N 2 1 227.352 -0.104 20 0 BBADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923286950 644320685 /nfs/dbraw/zinc/32/06/85/644320685.db2.gz BWBVSCOSYYKINY-DGORSVRFSA-N 3 1 227.352 -0.104 20 0 BBADMP C[C@@H]([NH3+])[C@@H]1CCCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923286953 644321377 /nfs/dbraw/zinc/32/13/77/644321377.db2.gz BWBVSCOSYYKINY-GCHJQGSQSA-N 2 1 227.352 -0.104 20 0 BBADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923286953 644321372 /nfs/dbraw/zinc/32/13/72/644321372.db2.gz BWBVSCOSYYKINY-GCHJQGSQSA-N 3 1 227.352 -0.104 20 0 BBADMP C[C@H]([NH3+])[C@H]1CCCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923286955 644319985 /nfs/dbraw/zinc/31/99/85/644319985.db2.gz BWBVSCOSYYKINY-HTFCKZLJSA-N 2 1 227.352 -0.104 20 0 BBADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923286955 644319980 /nfs/dbraw/zinc/31/99/80/644319980.db2.gz BWBVSCOSYYKINY-HTFCKZLJSA-N 3 1 227.352 -0.104 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CCCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923286957 644320748 /nfs/dbraw/zinc/32/07/48/644320748.db2.gz BWBVSCOSYYKINY-OSUNSFLBSA-N 2 1 227.352 -0.104 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923286957 644320747 /nfs/dbraw/zinc/32/07/47/644320747.db2.gz BWBVSCOSYYKINY-OSUNSFLBSA-N 3 1 227.352 -0.104 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000923288583 644323656 /nfs/dbraw/zinc/32/36/56/644323656.db2.gz LDEFETMCSSSGRL-KXUCPTDWSA-N 2 1 202.298 -0.337 20 0 BBADMP C[NH2+]C[C@H]1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923288789 644324565 /nfs/dbraw/zinc/32/45/65/644324565.db2.gz CKURPPNIRWANPF-NEPJUHHUSA-N 2 1 239.363 -0.094 20 0 BBADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923288789 644324561 /nfs/dbraw/zinc/32/45/61/644324561.db2.gz CKURPPNIRWANPF-NEPJUHHUSA-N 3 1 239.363 -0.094 20 0 BBADMP C[NH2+]C[C@@H]1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923288792 644321903 /nfs/dbraw/zinc/32/19/03/644321903.db2.gz CKURPPNIRWANPF-NWDGAFQWSA-N 2 1 239.363 -0.094 20 0 BBADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923288792 644321894 /nfs/dbraw/zinc/32/18/94/644321894.db2.gz CKURPPNIRWANPF-NWDGAFQWSA-N 3 1 239.363 -0.094 20 0 BBADMP C[NH2+]C[C@@H]1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923288799 644323948 /nfs/dbraw/zinc/32/39/48/644323948.db2.gz CKURPPNIRWANPF-RYUDHWBXSA-N 2 1 239.363 -0.094 20 0 BBADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923288799 644323938 /nfs/dbraw/zinc/32/39/38/644323938.db2.gz CKURPPNIRWANPF-RYUDHWBXSA-N 3 1 239.363 -0.094 20 0 BBADMP C[NH2+]C[C@H]1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923288802 644323582 /nfs/dbraw/zinc/32/35/82/644323582.db2.gz CKURPPNIRWANPF-VXGBXAGGSA-N 2 1 239.363 -0.094 20 0 BBADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923288802 644323578 /nfs/dbraw/zinc/32/35/78/644323578.db2.gz CKURPPNIRWANPF-VXGBXAGGSA-N 3 1 239.363 -0.094 20 0 BBADMP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)CC[C@H]1[NH3+] ZINC000923289057 644324069 /nfs/dbraw/zinc/32/40/69/644324069.db2.gz DYSMZXSFMOPNSN-GRYCIOLGSA-N 2 1 238.335 -0.087 20 0 BBADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)CC[C@H]1[NH3+] ZINC000923289058 644323051 /nfs/dbraw/zinc/32/30/51/644323051.db2.gz DYSMZXSFMOPNSN-IJLUTSLNSA-N 2 1 238.335 -0.087 20 0 BBADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)CC[C@@H]1[NH3+] ZINC000923289059 644324229 /nfs/dbraw/zinc/32/42/29/644324229.db2.gz DYSMZXSFMOPNSN-UTUOFQBUSA-N 2 1 238.335 -0.087 20 0 BBADMP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)CC[C@@H]1[NH3+] ZINC000923289060 644323174 /nfs/dbraw/zinc/32/31/74/644323174.db2.gz DYSMZXSFMOPNSN-WOPDTQHZSA-N 2 1 238.335 -0.087 20 0 BBADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000923290000 644324191 /nfs/dbraw/zinc/32/41/91/644324191.db2.gz LBRVCNOZVULWPI-NEPJUHHUSA-N 2 1 238.335 -0.215 20 0 BBADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000923290002 644322768 /nfs/dbraw/zinc/32/27/68/644322768.db2.gz LBRVCNOZVULWPI-NWDGAFQWSA-N 2 1 238.335 -0.215 20 0 BBADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000923290003 644324743 /nfs/dbraw/zinc/32/47/43/644324743.db2.gz LBRVCNOZVULWPI-RYUDHWBXSA-N 2 1 238.335 -0.215 20 0 BBADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000923290005 644323127 /nfs/dbraw/zinc/32/31/27/644323127.db2.gz LBRVCNOZVULWPI-VXGBXAGGSA-N 2 1 238.335 -0.215 20 0 BBADMP CN(CCC[NH3+])C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923290096 644323112 /nfs/dbraw/zinc/32/31/12/644323112.db2.gz BCZRLBWCIRMECM-JTQLQIEISA-N 2 1 213.325 -0.355 20 0 BBADMP C[N@@H+](CCC[NH3+])C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923290096 644323104 /nfs/dbraw/zinc/32/31/04/644323104.db2.gz BCZRLBWCIRMECM-JTQLQIEISA-N 3 1 213.325 -0.355 20 0 BBADMP CN(CCC[NH3+])C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923290097 644324328 /nfs/dbraw/zinc/32/43/28/644324328.db2.gz BCZRLBWCIRMECM-SNVBAGLBSA-N 2 1 213.325 -0.355 20 0 BBADMP C[N@@H+](CCC[NH3+])C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923290097 644324323 /nfs/dbraw/zinc/32/43/23/644324323.db2.gz BCZRLBWCIRMECM-SNVBAGLBSA-N 3 1 213.325 -0.355 20 0 BBADMP C[N@@H+](CCC[NH3+])C[C@@H](O)COC[C@@H]1CCCO1 ZINC000923290741 644325871 /nfs/dbraw/zinc/32/58/71/644325871.db2.gz KFASFDNRWZLSOO-NEPJUHHUSA-N 2 1 246.351 -0.177 20 0 BBADMP C[N@@H+](CCC[NH3+])C[C@H](O)COC[C@H]1CCCO1 ZINC000923290742 644325094 /nfs/dbraw/zinc/32/50/94/644325094.db2.gz KFASFDNRWZLSOO-NWDGAFQWSA-N 2 1 246.351 -0.177 20 0 BBADMP C[N@@H+](CCC[NH3+])C[C@H](O)COC[C@@H]1CCCO1 ZINC000923290743 644326944 /nfs/dbraw/zinc/32/69/44/644326944.db2.gz KFASFDNRWZLSOO-RYUDHWBXSA-N 2 1 246.351 -0.177 20 0 BBADMP C[N@@H+](CCC[NH3+])C[C@@H](O)COC[C@H]1CCCO1 ZINC000923290744 644326639 /nfs/dbraw/zinc/32/66/39/644326639.db2.gz KFASFDNRWZLSOO-VXGBXAGGSA-N 2 1 246.351 -0.177 20 0 BBADMP CN1CC(=O)N(CC[N@@H+](C)CCC[NH3+])C1=O ZINC000923291176 644325413 /nfs/dbraw/zinc/32/54/13/644325413.db2.gz OHXYLLMWJQSFII-UHFFFAOYSA-N 2 1 228.296 -0.839 20 0 BBADMP C[N@@H+](CCC[NH3+])C[C@H](O)Cn1cccn1 ZINC000923292064 644329287 /nfs/dbraw/zinc/32/92/87/644329287.db2.gz SJEJUNLXRBCKDL-JTQLQIEISA-N 2 1 212.297 -0.475 20 0 BBADMP C[N@@H+](CCC[NH3+])C[C@@H](O)Cn1cccn1 ZINC000923292066 644329397 /nfs/dbraw/zinc/32/93/97/644329397.db2.gz SJEJUNLXRBCKDL-SNVBAGLBSA-N 2 1 212.297 -0.475 20 0 BBADMP C[N@@H+](CC(C)(C)C[NH3+])[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923294115 644329485 /nfs/dbraw/zinc/32/94/85/644329485.db2.gz HHYVDSCJEBZXJU-GUBZILKMSA-N 3 1 215.341 -0.246 20 0 BBADMP C[N@H+](CC(C)(C)C[NH3+])[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923294115 644329480 /nfs/dbraw/zinc/32/94/80/644329480.db2.gz HHYVDSCJEBZXJU-GUBZILKMSA-N 3 1 215.341 -0.246 20 0 BBADMP CC(C)[N@H+](CC(N)=O)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923298266 644335610 /nfs/dbraw/zinc/33/56/10/644335610.db2.gz NFOJDKYIGOJNIG-JTQLQIEISA-N 2 1 241.335 -0.439 20 0 BBADMP CC(C)[N@H+](CC(N)=O)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923298269 644334991 /nfs/dbraw/zinc/33/49/91/644334991.db2.gz NFOJDKYIGOJNIG-SNVBAGLBSA-N 2 1 241.335 -0.439 20 0 BBADMP C([C@@H]1CC2(C[NH2+]C2)CO1)[NH+]1CCOCC1 ZINC000923298310 644338642 /nfs/dbraw/zinc/33/86/42/644338642.db2.gz AHEMAUVUWKPKNG-JTQLQIEISA-N 2 1 212.293 -0.303 20 0 BBADMP C([C@H]1CC2(C[NH2+]C2)CO1)[NH+]1CCOCC1 ZINC000923298312 644337145 /nfs/dbraw/zinc/33/71/45/644337145.db2.gz AHEMAUVUWKPKNG-SNVBAGLBSA-N 2 1 212.293 -0.303 20 0 BBADMP CN(C)C(=O)C[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923299436 644327447 /nfs/dbraw/zinc/32/74/47/644327447.db2.gz VFODUQKRKBOLCV-JTQLQIEISA-N 2 1 241.335 -0.615 20 0 BBADMP CN(C)C(=O)C[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923299436 644327440 /nfs/dbraw/zinc/32/74/40/644327440.db2.gz VFODUQKRKBOLCV-JTQLQIEISA-N 2 1 241.335 -0.615 20 0 BBADMP CN(C)C(=O)C[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923299542 644326557 /nfs/dbraw/zinc/32/65/57/644326557.db2.gz VFODUQKRKBOLCV-SNVBAGLBSA-N 2 1 241.335 -0.615 20 0 BBADMP CN(C)C(=O)C[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923299542 644326550 /nfs/dbraw/zinc/32/65/50/644326550.db2.gz VFODUQKRKBOLCV-SNVBAGLBSA-N 2 1 241.335 -0.615 20 0 BBADMP C[N@@H+](C[C@H]1CCCO1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923300307 644328753 /nfs/dbraw/zinc/32/87/53/644328753.db2.gz DVOWIDRQZIZQTA-VLEAKVRGSA-N 2 1 214.309 -0.052 20 0 BBADMP C[C@H]1C[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H](C)O1 ZINC000923300602 644337209 /nfs/dbraw/zinc/33/72/09/644337209.db2.gz XOAZTYVXFNDYFG-QHZLYTNSSA-N 2 1 214.309 -0.054 20 0 BBADMP C[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H](C)O1 ZINC000923300603 644337964 /nfs/dbraw/zinc/33/79/64/644337964.db2.gz XOAZTYVXFNDYFG-SSRBZLIGSA-N 2 1 214.309 -0.054 20 0 BBADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H](C)O1 ZINC000923300603 644337961 /nfs/dbraw/zinc/33/79/61/644337961.db2.gz XOAZTYVXFNDYFG-SSRBZLIGSA-N 2 1 214.309 -0.054 20 0 BBADMP C[C@@H]1C[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H](C)O1 ZINC000923300604 644338472 /nfs/dbraw/zinc/33/84/72/644338472.db2.gz XOAZTYVXFNDYFG-UVOCVTCTSA-N 2 1 214.309 -0.054 20 0 BBADMP COCC[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923300713 644338757 /nfs/dbraw/zinc/33/87/57/644338757.db2.gz KBOCUZORIWOQTQ-JTQLQIEISA-N 2 1 214.309 -0.057 20 0 BBADMP COCC[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923300714 644338626 /nfs/dbraw/zinc/33/86/26/644338626.db2.gz KBOCUZORIWOQTQ-SNVBAGLBSA-N 2 1 214.309 -0.057 20 0 BBADMP CC[C@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923301787 644338578 /nfs/dbraw/zinc/33/85/78/644338578.db2.gz XSBYYRMGNVDBBT-NAKRPEOUSA-N 2 1 214.309 -0.052 20 0 BBADMP CC[C@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923301787 644338575 /nfs/dbraw/zinc/33/85/75/644338575.db2.gz XSBYYRMGNVDBBT-NAKRPEOUSA-N 2 1 214.309 -0.052 20 0 BBADMP CC[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923301788 644336808 /nfs/dbraw/zinc/33/68/08/644336808.db2.gz XSBYYRMGNVDBBT-VLEAKVRGSA-N 2 1 214.309 -0.052 20 0 BBADMP CC[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923301788 644336797 /nfs/dbraw/zinc/33/67/97/644336797.db2.gz XSBYYRMGNVDBBT-VLEAKVRGSA-N 2 1 214.309 -0.052 20 0 BBADMP OCC[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923303215 644341288 /nfs/dbraw/zinc/34/12/88/644341288.db2.gz AGOMTYCJLPAAJN-LLVKDONJSA-N 2 1 226.320 -0.178 20 0 BBADMP OCC[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923303217 644341114 /nfs/dbraw/zinc/34/11/14/644341114.db2.gz AGOMTYCJLPAAJN-NSHDSACASA-N 2 1 226.320 -0.178 20 0 BBADMP CC[N@H+](CC(=O)NC)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923304688 644340659 /nfs/dbraw/zinc/34/06/59/644340659.db2.gz RFPVYPDNPBACMO-JTQLQIEISA-N 2 1 241.335 -0.567 20 0 BBADMP CC[N@H+](CC(=O)NC)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923304689 644342226 /nfs/dbraw/zinc/34/22/26/644342226.db2.gz RFPVYPDNPBACMO-SNVBAGLBSA-N 2 1 241.335 -0.567 20 0 BBADMP CCNC(=O)C[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923305467 644341270 /nfs/dbraw/zinc/34/12/70/644341270.db2.gz BYNMPOQSEKWJML-JTQLQIEISA-N 2 1 241.335 -0.567 20 0 BBADMP CCNC(=O)C[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923305467 644341267 /nfs/dbraw/zinc/34/12/67/644341267.db2.gz BYNMPOQSEKWJML-JTQLQIEISA-N 2 1 241.335 -0.567 20 0 BBADMP CCNC(=O)C[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923305469 644342361 /nfs/dbraw/zinc/34/23/61/644342361.db2.gz BYNMPOQSEKWJML-SNVBAGLBSA-N 2 1 241.335 -0.567 20 0 BBADMP CCNC(=O)C[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923305469 644342355 /nfs/dbraw/zinc/34/23/55/644342355.db2.gz BYNMPOQSEKWJML-SNVBAGLBSA-N 2 1 241.335 -0.567 20 0 BBADMP CO[C@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923306205 644341766 /nfs/dbraw/zinc/34/17/66/644341766.db2.gz RMGKLVZCUGUROM-NAKRPEOUSA-N 2 1 214.309 -0.052 20 0 BBADMP CO[C@@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923306206 644342430 /nfs/dbraw/zinc/34/24/30/644342430.db2.gz RMGKLVZCUGUROM-VLEAKVRGSA-N 2 1 214.309 -0.052 20 0 BBADMP CC1(C)C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923306309 644339656 /nfs/dbraw/zinc/33/96/56/644339656.db2.gz OXVLQTSPSJHVPW-GUBZILKMSA-N 2 1 214.309 -0.052 20 0 BBADMP CC1(C)C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923306309 644339651 /nfs/dbraw/zinc/33/96/51/644339651.db2.gz OXVLQTSPSJHVPW-GUBZILKMSA-N 2 1 214.309 -0.052 20 0 BBADMP COCCC[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923308328 644338379 /nfs/dbraw/zinc/33/83/79/644338379.db2.gz CKFLWRMTEATGRR-GUBZILKMSA-N 2 1 202.298 -0.195 20 0 BBADMP CNC(=O)CC[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923311793 644346905 /nfs/dbraw/zinc/34/69/05/644346905.db2.gz XAVFFZLSZTYAHM-JTQLQIEISA-N 2 1 241.335 -0.567 20 0 BBADMP CNC(=O)CC[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923311794 644347090 /nfs/dbraw/zinc/34/70/90/644347090.db2.gz XAVFFZLSZTYAHM-SNVBAGLBSA-N 2 1 241.335 -0.567 20 0 BBADMP C[C@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCCO1 ZINC000923313391 644341318 /nfs/dbraw/zinc/34/13/18/644341318.db2.gz XUNRFYGKSBPUCF-NAKRPEOUSA-N 2 1 214.309 -0.052 20 0 BBADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCCO1 ZINC000923313392 644341908 /nfs/dbraw/zinc/34/19/08/644341908.db2.gz XUNRFYGKSBPUCF-RCWTZXSCSA-N 2 1 214.309 -0.052 20 0 BBADMP CNC(=O)[C@H](C)C[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923314584 644341833 /nfs/dbraw/zinc/34/18/33/644341833.db2.gz KAARQSSCSQXPJY-KATARQTJSA-N 2 1 229.324 -0.849 20 0 BBADMP CNC(=O)[C@@H](C)C[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923314586 644340322 /nfs/dbraw/zinc/34/03/22/644340322.db2.gz KAARQSSCSQXPJY-XKNYDFJKSA-N 2 1 229.324 -0.849 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@]3(CCOC3)C2)C1 ZINC000923314591 644340752 /nfs/dbraw/zinc/34/07/52/644340752.db2.gz KEQBWNKOOAIOTN-BJDJZHNGSA-N 2 1 226.320 -0.051 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@@]3(CCOC3)C2)C1 ZINC000923314595 644340107 /nfs/dbraw/zinc/34/01/07/644340107.db2.gz KEQBWNKOOAIOTN-FIQHERPVSA-N 2 1 226.320 -0.051 20 0 BBADMP C[N@@H+](C[C@@H]1CCOC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923314888 644342578 /nfs/dbraw/zinc/34/25/78/644342578.db2.gz MTCRSKMEYFOXFE-NAKRPEOUSA-N 2 1 214.309 -0.195 20 0 BBADMP C[N@@H+](C[C@H]1CCOC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923314889 644344403 /nfs/dbraw/zinc/34/44/03/644344403.db2.gz MTCRSKMEYFOXFE-RCWTZXSCSA-N 2 1 214.309 -0.195 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000923316094 644343933 /nfs/dbraw/zinc/34/39/33/644343933.db2.gz QWJRWJMTEFVNME-HHKYUTTNSA-N 2 1 212.293 -0.300 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000923316094 644343929 /nfs/dbraw/zinc/34/39/29/644343929.db2.gz QWJRWJMTEFVNME-HHKYUTTNSA-N 2 1 212.293 -0.300 20 0 BBADMP NC(=O)C[C@@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923316669 644342950 /nfs/dbraw/zinc/34/29/50/644342950.db2.gz MGWMVPYCAFABOS-NAKRPEOUSA-N 2 1 241.335 -0.576 20 0 BBADMP NC(=O)C[C@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923316671 644344466 /nfs/dbraw/zinc/34/44/66/644344466.db2.gz MGWMVPYCAFABOS-RCWTZXSCSA-N 2 1 241.335 -0.576 20 0 BBADMP Cn1cc(C[N@@H+](C)[C@H]2C[C@H]([NH3+])C[C@@H]2O)cn1 ZINC000923320039 644344287 /nfs/dbraw/zinc/34/42/87/644344287.db2.gz SOGQMTXJWLUZNM-DCAQKATOSA-N 2 1 224.308 -0.298 20 0 BBADMP Cn1cc(C[N@H+](C)[C@H]2C[C@H]([NH3+])C[C@@H]2O)cn1 ZINC000923320039 644344286 /nfs/dbraw/zinc/34/42/86/644344286.db2.gz SOGQMTXJWLUZNM-DCAQKATOSA-N 2 1 224.308 -0.298 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000923323385 644351348 /nfs/dbraw/zinc/35/13/48/644351348.db2.gz SUWQPGOPKOXTIA-BJDJZHNGSA-N 2 1 225.336 -0.383 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000923323386 644351774 /nfs/dbraw/zinc/35/17/74/644351774.db2.gz SUWQPGOPKOXTIA-USZNOCQGSA-N 2 1 225.336 -0.383 20 0 BBADMP C[N@@H+](CCn1cccn1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923323585 644352365 /nfs/dbraw/zinc/35/23/65/644352365.db2.gz UWPHAMXQKPPDID-DCAQKATOSA-N 2 1 224.308 -0.335 20 0 BBADMP C[N@@H+](Cc1cn[nH]c1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923324367 644352741 /nfs/dbraw/zinc/35/27/41/644352741.db2.gz GCCYULAGFJQKDE-GUBZILKMSA-N 2 1 210.281 -0.308 20 0 BBADMP C[N@H+](Cc1cn[nH]c1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923324367 644352740 /nfs/dbraw/zinc/35/27/40/644352740.db2.gz GCCYULAGFJQKDE-GUBZILKMSA-N 2 1 210.281 -0.308 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000923327947 644346020 /nfs/dbraw/zinc/34/60/20/644346020.db2.gz PWBRCPLFMSBZQD-SRVKXCTJSA-N 3 1 239.363 -0.088 20 0 BBADMP COCC[N@@H+](C)C[C@H](O)CNCC1([NH3+])CCC1 ZINC000923330223 644349268 /nfs/dbraw/zinc/34/92/68/644349268.db2.gz ALINNLZHNUIREA-LLVKDONJSA-N 2 1 245.367 -0.604 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CNCC1([NH3+])CCC1 ZINC000923330224 644349038 /nfs/dbraw/zinc/34/90/38/644349038.db2.gz ALINNLZHNUIREA-NSHDSACASA-N 2 1 245.367 -0.604 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000923332506 644354975 /nfs/dbraw/zinc/35/49/75/644354975.db2.gz QSFWCANIGGQKFR-QJPTWQEYSA-N 2 1 238.335 -0.087 20 0 BBADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000923332508 644355512 /nfs/dbraw/zinc/35/55/12/644355512.db2.gz QSFWCANIGGQKFR-SDDRHHMPSA-N 2 1 238.335 -0.087 20 0 BBADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000923332509 644354576 /nfs/dbraw/zinc/35/45/76/644354576.db2.gz QSFWCANIGGQKFR-SRVKXCTJSA-N 2 1 238.335 -0.087 20 0 BBADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000923332511 644355373 /nfs/dbraw/zinc/35/53/73/644355373.db2.gz QSFWCANIGGQKFR-TUAOUCFPSA-N 2 1 238.335 -0.087 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2C[C@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000923332779 644353905 /nfs/dbraw/zinc/35/39/05/644353905.db2.gz NKJOZBDEIULVOX-ISFYIQIJSA-N 3 1 239.363 -0.104 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000923332780 644354181 /nfs/dbraw/zinc/35/41/81/644354181.db2.gz NKJOZBDEIULVOX-PJGZEUCASA-N 3 1 239.363 -0.104 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH3+])C1 ZINC000923332781 644355696 /nfs/dbraw/zinc/35/56/96/644355696.db2.gz NKJOZBDEIULVOX-USTYEKHQSA-N 3 1 239.363 -0.104 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000923332782 644355087 /nfs/dbraw/zinc/35/50/87/644355087.db2.gz NKJOZBDEIULVOX-ZJJIEKDWSA-N 3 1 239.363 -0.104 20 0 BBADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C[C@@H]12 ZINC000923334162 644353642 /nfs/dbraw/zinc/35/36/42/644353642.db2.gz TYBHJPCTZQERGI-MCNAKINOSA-N 3 1 225.336 -0.494 20 0 BBADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C[C@H]12 ZINC000923334163 644355201 /nfs/dbraw/zinc/35/52/01/644355201.db2.gz TYBHJPCTZQERGI-QUHKTUSISA-N 3 1 225.336 -0.494 20 0 BBADMP [NH3+][C@@H]1CC[C@H]2C[N@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C[C@H]12 ZINC000923334164 644354768 /nfs/dbraw/zinc/35/47/68/644354768.db2.gz TYBHJPCTZQERGI-UQPICLANSA-N 3 1 225.336 -0.494 20 0 BBADMP [NH3+][C@@H]1CC[C@H]2C[N@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C[C@@H]12 ZINC000923334165 644354054 /nfs/dbraw/zinc/35/40/54/644354054.db2.gz TYBHJPCTZQERGI-URIQBSJHSA-N 3 1 225.336 -0.494 20 0 BBADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000923334174 644355521 /nfs/dbraw/zinc/35/55/21/644355521.db2.gz UJIUWYYOFFKPNN-MMWGEVLESA-N 2 1 214.309 -0.337 20 0 BBADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000923334175 644354593 /nfs/dbraw/zinc/35/45/93/644354593.db2.gz UJIUWYYOFFKPNN-NAKRPEOUSA-N 2 1 214.309 -0.337 20 0 BBADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000923334176 644353890 /nfs/dbraw/zinc/35/38/90/644353890.db2.gz UJIUWYYOFFKPNN-UKKRHICBSA-N 2 1 214.309 -0.337 20 0 BBADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000923334177 644354840 /nfs/dbraw/zinc/35/48/40/644354840.db2.gz UJIUWYYOFFKPNN-XWLWVQCSSA-N 2 1 214.309 -0.337 20 0 BBADMP C[C@@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000923345007 644365236 /nfs/dbraw/zinc/36/52/36/644365236.db2.gz JXEFRHZFXVGKNK-GHMZBOCLSA-N 2 1 243.351 -0.313 20 0 BBADMP C[C@@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000923345011 644364670 /nfs/dbraw/zinc/36/46/70/644364670.db2.gz JXEFRHZFXVGKNK-MNOVXSKESA-N 2 1 243.351 -0.313 20 0 BBADMP C[C@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000923345015 644364564 /nfs/dbraw/zinc/36/45/64/644364564.db2.gz JXEFRHZFXVGKNK-QWRGUYRKSA-N 2 1 243.351 -0.313 20 0 BBADMP C[C@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000923345017 644365564 /nfs/dbraw/zinc/36/55/64/644365564.db2.gz JXEFRHZFXVGKNK-WDEREUQCSA-N 2 1 243.351 -0.313 20 0 BBADMP CC[C@@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@@H]1[NH3+] ZINC000923346517 644364387 /nfs/dbraw/zinc/36/43/87/644364387.db2.gz ZROPOXWVOWPWBW-DGORSVRFSA-N 2 1 227.352 -0.104 20 0 BBADMP CC[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@@H]1[NH3+] ZINC000923346517 644364379 /nfs/dbraw/zinc/36/43/79/644364379.db2.gz ZROPOXWVOWPWBW-DGORSVRFSA-N 3 1 227.352 -0.104 20 0 BBADMP CC[C@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@@H]1[NH3+] ZINC000923346518 644365920 /nfs/dbraw/zinc/36/59/20/644365920.db2.gz ZROPOXWVOWPWBW-HTFCKZLJSA-N 2 1 227.352 -0.104 20 0 BBADMP CC[C@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@@H]1[NH3+] ZINC000923346518 644365919 /nfs/dbraw/zinc/36/59/19/644365919.db2.gz ZROPOXWVOWPWBW-HTFCKZLJSA-N 3 1 227.352 -0.104 20 0 BBADMP CC[C@@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@H]1[NH3+] ZINC000923346519 644364736 /nfs/dbraw/zinc/36/47/36/644364736.db2.gz ZROPOXWVOWPWBW-LVEVGFFFSA-N 2 1 227.352 -0.104 20 0 BBADMP CC[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@H]1[NH3+] ZINC000923346519 644364733 /nfs/dbraw/zinc/36/47/33/644364733.db2.gz ZROPOXWVOWPWBW-LVEVGFFFSA-N 3 1 227.352 -0.104 20 0 BBADMP CC[C@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@H]1[NH3+] ZINC000923346520 644365845 /nfs/dbraw/zinc/36/58/45/644365845.db2.gz ZROPOXWVOWPWBW-SVNGYHJRSA-N 2 1 227.352 -0.104 20 0 BBADMP CC[C@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@H]1[NH3+] ZINC000923346520 644365843 /nfs/dbraw/zinc/36/58/43/644365843.db2.gz ZROPOXWVOWPWBW-SVNGYHJRSA-N 3 1 227.352 -0.104 20 0 BBADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000923347194 644361392 /nfs/dbraw/zinc/36/13/92/644361392.db2.gz ZPKKELIQKHCXLC-JTQLQIEISA-N 2 1 229.324 -0.702 20 0 BBADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000923347195 644360236 /nfs/dbraw/zinc/36/02/36/644360236.db2.gz ZPKKELIQKHCXLC-SNVBAGLBSA-N 2 1 229.324 -0.702 20 0 BBADMP [NH3+]CC[C@@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923350076 644362112 /nfs/dbraw/zinc/36/21/12/644362112.db2.gz ZPUBMMCLIMESBU-BJDJZHNGSA-N 3 1 227.352 -0.102 20 0 BBADMP [NH3+]CC[C@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923350077 644363025 /nfs/dbraw/zinc/36/30/25/644363025.db2.gz ZPUBMMCLIMESBU-RHYQMDGZSA-N 3 1 227.352 -0.102 20 0 BBADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000923354201 644369345 /nfs/dbraw/zinc/36/93/45/644369345.db2.gz AYMHDADIUUHZCU-NEPJUHHUSA-N 2 1 238.335 -0.085 20 0 BBADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000923354204 644369771 /nfs/dbraw/zinc/36/97/71/644369771.db2.gz AYMHDADIUUHZCU-NWDGAFQWSA-N 2 1 238.335 -0.085 20 0 BBADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000923354207 644370387 /nfs/dbraw/zinc/37/03/87/644370387.db2.gz AYMHDADIUUHZCU-RYUDHWBXSA-N 2 1 238.335 -0.085 20 0 BBADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000923354211 644368856 /nfs/dbraw/zinc/36/88/56/644368856.db2.gz AYMHDADIUUHZCU-VXGBXAGGSA-N 2 1 238.335 -0.085 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000923355386 644371246 /nfs/dbraw/zinc/37/12/46/644371246.db2.gz KYJOTLSKFDKJAK-CYDGBPFRSA-N 3 1 239.363 -0.088 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000923355386 644371240 /nfs/dbraw/zinc/37/12/40/644371240.db2.gz KYJOTLSKFDKJAK-CYDGBPFRSA-N 3 1 239.363 -0.088 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000923355387 644373341 /nfs/dbraw/zinc/37/33/41/644373341.db2.gz KYJOTLSKFDKJAK-ZDEQEGDKSA-N 3 1 239.363 -0.088 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000923355387 644373337 /nfs/dbraw/zinc/37/33/37/644373337.db2.gz KYJOTLSKFDKJAK-ZDEQEGDKSA-N 3 1 239.363 -0.088 20 0 BBADMP C[N@@H+](C[C@@H](O)Cn1cccn1)[C@@H](C[NH3+])C1CC1 ZINC000923357692 644368059 /nfs/dbraw/zinc/36/80/59/644368059.db2.gz PLVBQZWJTOJPGV-NEPJUHHUSA-N 2 1 238.335 -0.087 20 0 BBADMP C[N@H+](C[C@@H](O)Cn1cccn1)[C@@H](C[NH3+])C1CC1 ZINC000923357692 644368056 /nfs/dbraw/zinc/36/80/56/644368056.db2.gz PLVBQZWJTOJPGV-NEPJUHHUSA-N 2 1 238.335 -0.087 20 0 BBADMP C[N@@H+](C[C@H](O)Cn1cccn1)[C@H](C[NH3+])C1CC1 ZINC000923357693 644367403 /nfs/dbraw/zinc/36/74/03/644367403.db2.gz PLVBQZWJTOJPGV-NWDGAFQWSA-N 2 1 238.335 -0.087 20 0 BBADMP C[N@H+](C[C@H](O)Cn1cccn1)[C@H](C[NH3+])C1CC1 ZINC000923357693 644367400 /nfs/dbraw/zinc/36/74/00/644367400.db2.gz PLVBQZWJTOJPGV-NWDGAFQWSA-N 2 1 238.335 -0.087 20 0 BBADMP C[N@@H+](C[C@H](O)Cn1cccn1)[C@@H](C[NH3+])C1CC1 ZINC000923357694 644367088 /nfs/dbraw/zinc/36/70/88/644367088.db2.gz PLVBQZWJTOJPGV-RYUDHWBXSA-N 2 1 238.335 -0.087 20 0 BBADMP C[N@H+](C[C@H](O)Cn1cccn1)[C@@H](C[NH3+])C1CC1 ZINC000923357694 644367085 /nfs/dbraw/zinc/36/70/85/644367085.db2.gz PLVBQZWJTOJPGV-RYUDHWBXSA-N 2 1 238.335 -0.087 20 0 BBADMP C[N@@H+](C[C@@H](O)Cn1cccn1)[C@H](C[NH3+])C1CC1 ZINC000923357695 644368388 /nfs/dbraw/zinc/36/83/88/644368388.db2.gz PLVBQZWJTOJPGV-VXGBXAGGSA-N 2 1 238.335 -0.087 20 0 BBADMP C[N@H+](C[C@@H](O)Cn1cccn1)[C@H](C[NH3+])C1CC1 ZINC000923357695 644368383 /nfs/dbraw/zinc/36/83/83/644368383.db2.gz PLVBQZWJTOJPGV-VXGBXAGGSA-N 2 1 238.335 -0.087 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000923360296 644383971 /nfs/dbraw/zinc/38/39/71/644383971.db2.gz ZKKWLRHEBFDBNW-DCAQKATOSA-N 2 1 214.309 -0.323 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000923360297 644384687 /nfs/dbraw/zinc/38/46/87/644384687.db2.gz ZKKWLRHEBFDBNW-GARJFASQSA-N 2 1 214.309 -0.323 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000923360298 644382794 /nfs/dbraw/zinc/38/27/94/644382794.db2.gz ZKKWLRHEBFDBNW-OUAUKWLOSA-N 2 1 214.309 -0.323 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000923360299 644384450 /nfs/dbraw/zinc/38/44/50/644384450.db2.gz ZKKWLRHEBFDBNW-VWYCJHECSA-N 2 1 214.309 -0.323 20 0 BBADMP C[N@@H+](C[C@H](O)Cn1cccn1)C1CC([NH3+])C1 ZINC000923360383 644384918 /nfs/dbraw/zinc/38/49/18/644384918.db2.gz BFIJJZILZJNLER-ILDUYXDCSA-N 2 1 224.308 -0.335 20 0 BBADMP C[N@@H+](C[C@@H](O)Cn1cccn1)C1CC([NH3+])C1 ZINC000923360384 644384947 /nfs/dbraw/zinc/38/49/47/644384947.db2.gz BFIJJZILZJNLER-VQXHTEKXSA-N 2 1 224.308 -0.335 20 0 BBADMP CN1CC(=O)N(CC[N@@H+](C)C2CC([NH3+])C2)C1=O ZINC000923360385 644383606 /nfs/dbraw/zinc/38/36/06/644383606.db2.gz BHRHHRZLKMQLEY-UHFFFAOYSA-N 2 1 240.307 -0.698 20 0 BBADMP CN1CC(=O)N(CC[N@H+](C)C2CC([NH3+])C2)C1=O ZINC000923360385 644383601 /nfs/dbraw/zinc/38/36/01/644383601.db2.gz BHRHHRZLKMQLEY-UHFFFAOYSA-N 2 1 240.307 -0.698 20 0 BBADMP CN(C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC([NH3+])C1 ZINC000923363024 644389209 /nfs/dbraw/zinc/38/92/09/644389209.db2.gz PQVPFUHBUFGORU-ILDUYXDCSA-N 2 1 225.336 -0.214 20 0 BBADMP C[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC([NH3+])C1 ZINC000923363024 644389206 /nfs/dbraw/zinc/38/92/06/644389206.db2.gz PQVPFUHBUFGORU-ILDUYXDCSA-N 3 1 225.336 -0.214 20 0 BBADMP CN(C[C@H]1CC2(C[NH2+]C2)CO1)C1CC([NH3+])C1 ZINC000923363025 644389803 /nfs/dbraw/zinc/38/98/03/644389803.db2.gz PQVPFUHBUFGORU-VQXHTEKXSA-N 2 1 225.336 -0.214 20 0 BBADMP C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC([NH3+])C1 ZINC000923363025 644389799 /nfs/dbraw/zinc/38/97/99/644389799.db2.gz PQVPFUHBUFGORU-VQXHTEKXSA-N 3 1 225.336 -0.214 20 0 BBADMP OC[C@@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923364133 644376280 /nfs/dbraw/zinc/37/62/80/644376280.db2.gz JJZHFFXSBWHXOW-QWRGUYRKSA-N 2 1 226.320 -0.178 20 0 BBADMP OC[C@@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923364134 644376680 /nfs/dbraw/zinc/37/66/80/644376680.db2.gz JJZHFFXSBWHXOW-WDEREUQCSA-N 2 1 226.320 -0.178 20 0 BBADMP CC(C)COC[C@H](O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000923365867 644375550 /nfs/dbraw/zinc/37/55/50/644375550.db2.gz HPECIGZQFXFKLE-GHMZBOCLSA-N 2 1 234.340 -0.729 20 0 BBADMP CC(C)COC[C@@H](O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000923365868 644376119 /nfs/dbraw/zinc/37/61/19/644376119.db2.gz HPECIGZQFXFKLE-MNOVXSKESA-N 2 1 234.340 -0.729 20 0 BBADMP CC(C)COC[C@@H](O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000923365870 644374457 /nfs/dbraw/zinc/37/44/57/644374457.db2.gz HPECIGZQFXFKLE-QWRGUYRKSA-N 2 1 234.340 -0.729 20 0 BBADMP CC(C)COC[C@H](O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000923365871 644376192 /nfs/dbraw/zinc/37/61/92/644376192.db2.gz HPECIGZQFXFKLE-WDEREUQCSA-N 2 1 234.340 -0.729 20 0 BBADMP CCOCCOCC[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000923366635 644378137 /nfs/dbraw/zinc/37/81/37/644378137.db2.gz OFMQSMSJUBIQJG-JTQLQIEISA-N 2 1 220.313 -0.709 20 0 BBADMP CCOCCOCC[N@H+](C)C[C@@H](O)C[NH3+] ZINC000923366635 644378135 /nfs/dbraw/zinc/37/81/35/644378135.db2.gz OFMQSMSJUBIQJG-JTQLQIEISA-N 2 1 220.313 -0.709 20 0 BBADMP CCOCCOCC[N@@H+](C)C[C@H](O)C[NH3+] ZINC000923366641 644377754 /nfs/dbraw/zinc/37/77/54/644377754.db2.gz OFMQSMSJUBIQJG-SNVBAGLBSA-N 2 1 220.313 -0.709 20 0 BBADMP CCOCCOCC[N@H+](C)C[C@H](O)C[NH3+] ZINC000923366641 644377751 /nfs/dbraw/zinc/37/77/51/644377751.db2.gz OFMQSMSJUBIQJG-SNVBAGLBSA-N 2 1 220.313 -0.709 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000923366852 644379240 /nfs/dbraw/zinc/37/92/40/644379240.db2.gz PIRCOPUTXVLWLV-CYDGBPFRSA-N 3 1 239.363 -0.088 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000923366852 644379238 /nfs/dbraw/zinc/37/92/38/644379238.db2.gz PIRCOPUTXVLWLV-CYDGBPFRSA-N 3 1 239.363 -0.088 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000923366853 644378335 /nfs/dbraw/zinc/37/83/35/644378335.db2.gz PIRCOPUTXVLWLV-ZDEQEGDKSA-N 3 1 239.363 -0.088 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000923366853 644378328 /nfs/dbraw/zinc/37/83/28/644378328.db2.gz PIRCOPUTXVLWLV-ZDEQEGDKSA-N 3 1 239.363 -0.088 20 0 BBADMP CC(C)OCC[C@@H](O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000923367502 644379449 /nfs/dbraw/zinc/37/94/49/644379449.db2.gz WKWIXKABJLIVQJ-GHMZBOCLSA-N 2 1 234.340 -0.586 20 0 BBADMP CC(C)OCC[C@@H](O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000923367503 644378005 /nfs/dbraw/zinc/37/80/05/644378005.db2.gz WKWIXKABJLIVQJ-MNOVXSKESA-N 2 1 234.340 -0.586 20 0 BBADMP CC(C)OCC[C@H](O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000923367504 644378052 /nfs/dbraw/zinc/37/80/52/644378052.db2.gz WKWIXKABJLIVQJ-QWRGUYRKSA-N 2 1 234.340 -0.586 20 0 BBADMP CC(C)OCC[C@H](O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000923367505 644379295 /nfs/dbraw/zinc/37/92/95/644379295.db2.gz WKWIXKABJLIVQJ-WDEREUQCSA-N 2 1 234.340 -0.586 20 0 BBADMP CCOCC[C@@H](O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000923367778 644378835 /nfs/dbraw/zinc/37/88/35/644378835.db2.gz XPOKQJPSWPOXAE-NXEZZACHSA-N 2 1 220.313 -0.975 20 0 BBADMP CCOCC[C@H](O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000923367779 644377344 /nfs/dbraw/zinc/37/73/44/644377344.db2.gz XPOKQJPSWPOXAE-UWVGGRQHSA-N 2 1 220.313 -0.975 20 0 BBADMP CCOCC[C@H](O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000923367780 644378152 /nfs/dbraw/zinc/37/81/52/644378152.db2.gz XPOKQJPSWPOXAE-VHSXEESVSA-N 2 1 220.313 -0.975 20 0 BBADMP CCOCC[C@@H](O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000923367781 644379181 /nfs/dbraw/zinc/37/91/81/644379181.db2.gz XPOKQJPSWPOXAE-ZJUUUORDSA-N 2 1 220.313 -0.975 20 0 BBADMP COC[C@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000923367827 644377462 /nfs/dbraw/zinc/37/74/62/644377462.db2.gz JGMHGRDYOXQZGG-BDAKNGLRSA-N 2 1 204.314 -0.043 20 0 BBADMP COC[C@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000923367828 644379467 /nfs/dbraw/zinc/37/94/67/644379467.db2.gz JGMHGRDYOXQZGG-RKDXNWHRSA-N 2 1 204.314 -0.043 20 0 BBADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@H](O)Cc1ccccc1 ZINC000923368085 644380208 /nfs/dbraw/zinc/38/02/08/644380208.db2.gz ZZNYMBGTLVDTMQ-CHWSQXEVSA-N 2 1 238.331 -0.159 20 0 BBADMP C[N@H+](C[C@H](O)Cc1ccccc1)C[C@@H](O)C[NH3+] ZINC000923368086 644380571 /nfs/dbraw/zinc/38/05/71/644380571.db2.gz ZZNYMBGTLVDTMQ-OLZOCXBDSA-N 2 1 238.331 -0.159 20 0 BBADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H](O)Cc1ccccc1 ZINC000923368087 644382398 /nfs/dbraw/zinc/38/23/98/644382398.db2.gz ZZNYMBGTLVDTMQ-QWHCGFSZSA-N 2 1 238.331 -0.159 20 0 BBADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@@H](O)Cc1ccccc1 ZINC000923368088 644380488 /nfs/dbraw/zinc/38/04/88/644380488.db2.gz ZZNYMBGTLVDTMQ-STQMWFEESA-N 2 1 238.331 -0.159 20 0 BBADMP COC[C@H](O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000923368539 644381650 /nfs/dbraw/zinc/38/16/50/644381650.db2.gz DHZDATKFTBUUMH-GWOFURMSSA-N 2 1 216.325 -0.030 20 0 BBADMP COC[C@H](O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000923368542 644380424 /nfs/dbraw/zinc/38/04/24/644380424.db2.gz DHZDATKFTBUUMH-LMLFDSFASA-N 2 1 216.325 -0.030 20 0 BBADMP COC[C@H](O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000923368544 644381674 /nfs/dbraw/zinc/38/16/74/644381674.db2.gz DHZDATKFTBUUMH-LNFKQOIKSA-N 2 1 216.325 -0.030 20 0 BBADMP COC[C@H](O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000923368545 644380372 /nfs/dbraw/zinc/38/03/72/644380372.db2.gz DHZDATKFTBUUMH-UKKRHICBSA-N 2 1 216.325 -0.030 20 0 BBADMP C[N@@H+](CCN1CCOCC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923369039 644380975 /nfs/dbraw/zinc/38/09/75/644380975.db2.gz GEMHZUQRHOVMFP-SRVKXCTJSA-N 2 1 243.351 -0.899 20 0 BBADMP COC[C@@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000923369259 644380741 /nfs/dbraw/zinc/38/07/41/644380741.db2.gz JGMHGRDYOXQZGG-DTWKUNHWSA-N 2 1 204.314 -0.043 20 0 BBADMP COC[C@@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000923369260 644382103 /nfs/dbraw/zinc/38/21/03/644382103.db2.gz JGMHGRDYOXQZGG-IUCAKERBSA-N 2 1 204.314 -0.043 20 0 BBADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[C@H]([NH3+])[C@@H]1C ZINC000923369440 644382365 /nfs/dbraw/zinc/38/23/65/644382365.db2.gz ZJKKZFMXJAKGNL-TUAOUCFPSA-N 2 1 245.367 -0.653 20 0 BBADMP COC(=O)[C@H](C)C[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923369645 644380552 /nfs/dbraw/zinc/38/05/52/644380552.db2.gz MOYPYCXTWWABSI-KATARQTJSA-N 2 1 230.308 -0.422 20 0 BBADMP COC(=O)[C@@H](C)C[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923369646 644380070 /nfs/dbraw/zinc/38/00/70/644380070.db2.gz MOYPYCXTWWABSI-XKNYDFJKSA-N 2 1 230.308 -0.422 20 0 BBADMP C[N@@H+](CCc1cnccn1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923370329 644381896 /nfs/dbraw/zinc/38/18/96/644381896.db2.gz FOBFEQZVSZNZDO-DLOVCJGASA-N 2 1 236.319 -0.199 20 0 BBADMP COCCOC[C@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000923371573 644383179 /nfs/dbraw/zinc/38/31/79/644383179.db2.gz YUXAZMQPQHMYLQ-GHMZBOCLSA-N 2 1 248.367 -0.027 20 0 BBADMP COCCOC[C@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000923371574 644382863 /nfs/dbraw/zinc/38/28/63/644382863.db2.gz YUXAZMQPQHMYLQ-MNOVXSKESA-N 2 1 248.367 -0.027 20 0 BBADMP COCCOC[C@@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000923371575 644384539 /nfs/dbraw/zinc/38/45/39/644384539.db2.gz YUXAZMQPQHMYLQ-QWRGUYRKSA-N 2 1 248.367 -0.027 20 0 BBADMP COCCOC[C@@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000923371576 644385067 /nfs/dbraw/zinc/38/50/67/644385067.db2.gz YUXAZMQPQHMYLQ-WDEREUQCSA-N 2 1 248.367 -0.027 20 0 BBADMP COC[C@@H](O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000923371693 644382816 /nfs/dbraw/zinc/38/28/16/644382816.db2.gz DHZDATKFTBUUMH-CHWFTXMASA-N 2 1 216.325 -0.030 20 0 BBADMP COC[C@@H](O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000923371694 644383216 /nfs/dbraw/zinc/38/32/16/644383216.db2.gz DHZDATKFTBUUMH-VPOLOUISSA-N 2 1 216.325 -0.030 20 0 BBADMP COC[C@@H](O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000923371696 644384611 /nfs/dbraw/zinc/38/46/11/644384611.db2.gz DHZDATKFTBUUMH-XWLWVQCSSA-N 2 1 216.325 -0.030 20 0 BBADMP CNC(=O)CCC[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923371742 644382754 /nfs/dbraw/zinc/38/27/54/644382754.db2.gz SYLKXURFKTYHPY-GUBZILKMSA-N 2 1 229.324 -0.705 20 0 BBADMP COC[C@@H](O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000923371988 644383246 /nfs/dbraw/zinc/38/32/46/644383246.db2.gz DHZDATKFTBUUMH-ZRUFSTJUSA-N 2 1 216.325 -0.030 20 0 BBADMP CC(C)C(=O)NCC[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923372203 644384180 /nfs/dbraw/zinc/38/41/80/644384180.db2.gz FKSIGCHZGQPALI-DCAQKATOSA-N 2 1 243.351 -0.459 20 0 BBADMP CC(C)C(=O)NCC[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923372203 644384177 /nfs/dbraw/zinc/38/41/77/644384177.db2.gz FKSIGCHZGQPALI-DCAQKATOSA-N 2 1 243.351 -0.459 20 0 BBADMP COC(=O)[C@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923373911 644388587 /nfs/dbraw/zinc/38/85/87/644388587.db2.gz QHCDZPXSVMEMDD-NAKRPEOUSA-N 2 1 242.319 -0.278 20 0 BBADMP COC(=O)[C@@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923373912 644387818 /nfs/dbraw/zinc/38/78/18/644387818.db2.gz QHCDZPXSVMEMDD-RCWTZXSCSA-N 2 1 242.319 -0.278 20 0 BBADMP CN(C)C(=O)NCC[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923374768 644389249 /nfs/dbraw/zinc/38/92/49/644389249.db2.gz ZMDXICFFIJRAMH-GUBZILKMSA-N 2 1 244.339 -0.960 20 0 BBADMP CN(C)C(=O)NCC[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923374768 644389246 /nfs/dbraw/zinc/38/92/46/644389246.db2.gz ZMDXICFFIJRAMH-GUBZILKMSA-N 2 1 244.339 -0.960 20 0 BBADMP C[C@@H]1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H]1C[NH3+] ZINC000923375356 644390082 /nfs/dbraw/zinc/39/00/82/644390082.db2.gz KONOIMCYEIVIEJ-DGORSVRFSA-N 2 1 227.352 -0.246 20 0 BBADMP C[C@@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H]1C[NH3+] ZINC000923375356 644390075 /nfs/dbraw/zinc/39/00/75/644390075.db2.gz KONOIMCYEIVIEJ-DGORSVRFSA-N 3 1 227.352 -0.246 20 0 BBADMP C[C@@H]1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H]1C[NH3+] ZINC000923375357 644388789 /nfs/dbraw/zinc/38/87/89/644388789.db2.gz KONOIMCYEIVIEJ-GCHJQGSQSA-N 2 1 227.352 -0.246 20 0 BBADMP C[C@@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H]1C[NH3+] ZINC000923375357 644388783 /nfs/dbraw/zinc/38/87/83/644388783.db2.gz KONOIMCYEIVIEJ-GCHJQGSQSA-N 3 1 227.352 -0.246 20 0 BBADMP C[C@H]1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H]1C[NH3+] ZINC000923375358 644389391 /nfs/dbraw/zinc/38/93/91/644389391.db2.gz KONOIMCYEIVIEJ-HTFCKZLJSA-N 2 1 227.352 -0.246 20 0 BBADMP C[C@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H]1C[NH3+] ZINC000923375358 644389389 /nfs/dbraw/zinc/38/93/89/644389389.db2.gz KONOIMCYEIVIEJ-HTFCKZLJSA-N 3 1 227.352 -0.246 20 0 BBADMP C[C@H]1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H]1C[NH3+] ZINC000923375359 644388409 /nfs/dbraw/zinc/38/84/09/644388409.db2.gz KONOIMCYEIVIEJ-OSUNSFLBSA-N 2 1 227.352 -0.246 20 0 BBADMP C[C@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H]1C[NH3+] ZINC000923375359 644388404 /nfs/dbraw/zinc/38/84/04/644388404.db2.gz KONOIMCYEIVIEJ-OSUNSFLBSA-N 3 1 227.352 -0.246 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000923376384 644392565 /nfs/dbraw/zinc/39/25/65/644392565.db2.gz XCAJHMOZGXTPEU-AXFHLTTASA-N 2 1 216.325 -0.090 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000923376385 644391167 /nfs/dbraw/zinc/39/11/67/644391167.db2.gz XCAJHMOZGXTPEU-MXWKQRLJSA-N 2 1 216.325 -0.090 20 0 BBADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923377078 644390511 /nfs/dbraw/zinc/39/05/11/644390511.db2.gz FPODKOPXYYUJOG-LLVKDONJSA-N 3 1 227.352 -0.094 20 0 BBADMP C[NH2+]CCC[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923377078 644390500 /nfs/dbraw/zinc/39/05/00/644390500.db2.gz FPODKOPXYYUJOG-LLVKDONJSA-N 3 1 227.352 -0.094 20 0 BBADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923377081 644391388 /nfs/dbraw/zinc/39/13/88/644391388.db2.gz FPODKOPXYYUJOG-NSHDSACASA-N 3 1 227.352 -0.094 20 0 BBADMP C[NH2+]CCC[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923377081 644391387 /nfs/dbraw/zinc/39/13/87/644391387.db2.gz FPODKOPXYYUJOG-NSHDSACASA-N 3 1 227.352 -0.094 20 0 BBADMP OCC[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000923377310 644392283 /nfs/dbraw/zinc/39/22/83/644392283.db2.gz IQOBHYDAEZSYML-MNOVXSKESA-N 2 1 226.320 -0.321 20 0 BBADMP C[NH2+]CCC[N@@H+](C)CCN1C(=O)CN(C)C1=O ZINC000923377544 644392052 /nfs/dbraw/zinc/39/20/52/644392052.db2.gz MQHVEUQETFSKSB-UHFFFAOYSA-N 2 1 242.323 -0.578 20 0 BBADMP C[NH2+]CCC[N@H+](C)CCN1C(=O)CN(C)C1=O ZINC000923377544 644392050 /nfs/dbraw/zinc/39/20/50/644392050.db2.gz MQHVEUQETFSKSB-UHFFFAOYSA-N 2 1 242.323 -0.578 20 0 BBADMP CSC[C@H](O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000923377670 644391438 /nfs/dbraw/zinc/39/14/38/644391438.db2.gz ALDMUZBBLDLTPU-NXEZZACHSA-N 2 1 234.365 -0.240 20 0 BBADMP CSC[C@@H](O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000923377671 644392150 /nfs/dbraw/zinc/39/21/50/644392150.db2.gz ALDMUZBBLDLTPU-UWVGGRQHSA-N 2 1 234.365 -0.240 20 0 BBADMP CSC[C@@H](O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000923377673 644390985 /nfs/dbraw/zinc/39/09/85/644390985.db2.gz ALDMUZBBLDLTPU-VHSXEESVSA-N 2 1 234.365 -0.240 20 0 BBADMP CSC[C@H](O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000923377674 644390595 /nfs/dbraw/zinc/39/05/95/644390595.db2.gz ALDMUZBBLDLTPU-ZJUUUORDSA-N 2 1 234.365 -0.240 20 0 BBADMP C[NH2+]CCC[N@@H+](C)C[C@@H](O)Cn1cccn1 ZINC000923378150 644392316 /nfs/dbraw/zinc/39/23/16/644392316.db2.gz RGPMFDVZZBFSKC-LLVKDONJSA-N 2 1 226.324 -0.215 20 0 BBADMP C[NH2+]CCC[N@@H+](C)C[C@H](O)Cn1cccn1 ZINC000923378151 644391371 /nfs/dbraw/zinc/39/13/71/644391371.db2.gz RGPMFDVZZBFSKC-NSHDSACASA-N 2 1 226.324 -0.215 20 0 BBADMP CCOCC[C@@H](O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000923378955 644391553 /nfs/dbraw/zinc/39/15/53/644391553.db2.gz LVEOOIATIMJOBO-NEPJUHHUSA-N 2 1 246.351 -0.177 20 0 BBADMP CCOCC[C@H](O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000923378956 644391053 /nfs/dbraw/zinc/39/10/53/644391053.db2.gz LVEOOIATIMJOBO-NWDGAFQWSA-N 2 1 246.351 -0.177 20 0 BBADMP CCOCC[C@H](O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000923378957 644391764 /nfs/dbraw/zinc/39/17/64/644391764.db2.gz LVEOOIATIMJOBO-RYUDHWBXSA-N 2 1 246.351 -0.177 20 0 BBADMP CCOCC[C@@H](O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000923378958 644391126 /nfs/dbraw/zinc/39/11/26/644391126.db2.gz LVEOOIATIMJOBO-VXGBXAGGSA-N 2 1 246.351 -0.177 20 0 BBADMP [NH3+]CC1(O)CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923380298 644393171 /nfs/dbraw/zinc/39/31/71/644393171.db2.gz GFLVHVLRNLDJKI-UHFFFAOYSA-N 3 1 227.352 -0.086 20 0 BBADMP COC[C@@H](O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000923381434 644394524 /nfs/dbraw/zinc/39/45/24/644394524.db2.gz NBDSBKZAXKMYGW-JTQLQIEISA-N 2 1 214.309 -0.178 20 0 BBADMP COC[C@H](O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000923381435 644393260 /nfs/dbraw/zinc/39/32/60/644393260.db2.gz NBDSBKZAXKMYGW-SNVBAGLBSA-N 2 1 214.309 -0.178 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@@H]3OCC[C@@H]3C2)C1 ZINC000923384401 644395917 /nfs/dbraw/zinc/39/59/17/644395917.db2.gz WPZUDXQPFFVCAM-DGORSVRFSA-N 2 1 226.320 -0.052 20 0 BBADMP CC(=O)NCC[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923384684 644397251 /nfs/dbraw/zinc/39/72/51/644397251.db2.gz KVSSKFHKISBPRO-LLVKDONJSA-N 2 1 241.335 -0.567 20 0 BBADMP CC(=O)NCC[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923384685 644396130 /nfs/dbraw/zinc/39/61/30/644396130.db2.gz KVSSKFHKISBPRO-NSHDSACASA-N 2 1 241.335 -0.567 20 0 BBADMP O[C@@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923385406 644400284 /nfs/dbraw/zinc/40/02/84/644400284.db2.gz ATLUQSQXTGSQEW-GHMZBOCLSA-N 2 1 226.320 -0.178 20 0 BBADMP O[C@@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923385407 644398910 /nfs/dbraw/zinc/39/89/10/644398910.db2.gz ATLUQSQXTGSQEW-MNOVXSKESA-N 2 1 226.320 -0.178 20 0 BBADMP O[C@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923385409 644398194 /nfs/dbraw/zinc/39/81/94/644398194.db2.gz ATLUQSQXTGSQEW-QWRGUYRKSA-N 2 1 226.320 -0.178 20 0 BBADMP O[C@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923385411 644399408 /nfs/dbraw/zinc/39/94/08/644399408.db2.gz ATLUQSQXTGSQEW-WDEREUQCSA-N 2 1 226.320 -0.178 20 0 BBADMP CCO[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H]1C[NH3+] ZINC000923385518 644400533 /nfs/dbraw/zinc/40/05/33/644400533.db2.gz CMUBKNDGBVWQSO-WTPMCQDGSA-N 3 1 243.351 -0.867 20 0 BBADMP CCO[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H]1C[NH3+] ZINC000923385518 644400529 /nfs/dbraw/zinc/40/05/29/644400529.db2.gz CMUBKNDGBVWQSO-WTPMCQDGSA-N 3 1 243.351 -0.867 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](O)C1 ZINC000923387384 644399561 /nfs/dbraw/zinc/39/95/61/644399561.db2.gz MVNUMOKANSKHEU-NXEZZACHSA-N 2 1 202.298 -0.587 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](O)C1 ZINC000923387385 644398471 /nfs/dbraw/zinc/39/84/71/644398471.db2.gz MVNUMOKANSKHEU-UWVGGRQHSA-N 2 1 202.298 -0.587 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](O)C1 ZINC000923387386 644399364 /nfs/dbraw/zinc/39/93/64/644399364.db2.gz MVNUMOKANSKHEU-VHSXEESVSA-N 2 1 202.298 -0.587 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](O)C1 ZINC000923387387 644400031 /nfs/dbraw/zinc/40/00/31/644400031.db2.gz MVNUMOKANSKHEU-ZJUUUORDSA-N 2 1 202.298 -0.587 20 0 BBADMP COCC[NH2+]C1CC[NH+](C[C@@H](O)COC)CC1 ZINC000923387690 644399016 /nfs/dbraw/zinc/39/90/16/644399016.db2.gz JVQFQAMVHZBOOI-GFCCVEGCSA-N 2 1 246.351 -0.306 20 0 BBADMP COCC[NH2+]C1CC[NH+](C[C@H](O)COC)CC1 ZINC000923387691 644400096 /nfs/dbraw/zinc/40/00/96/644400096.db2.gz JVQFQAMVHZBOOI-LBPRGKRZSA-N 2 1 246.351 -0.306 20 0 BBADMP C[N@@H+](C[C@H](O)Cn1cccn1)CC(C)(C)[NH3+] ZINC000923387816 644397977 /nfs/dbraw/zinc/39/79/77/644397977.db2.gz YYFZLYNLBZDZQD-JTQLQIEISA-N 2 1 226.324 -0.087 20 0 BBADMP C[N@H+](C[C@H](O)Cn1cccn1)CC(C)(C)[NH3+] ZINC000923387816 644397974 /nfs/dbraw/zinc/39/79/74/644397974.db2.gz YYFZLYNLBZDZQD-JTQLQIEISA-N 2 1 226.324 -0.087 20 0 BBADMP C[N@@H+](C[C@@H](O)Cn1cccn1)CC(C)(C)[NH3+] ZINC000923387818 644399075 /nfs/dbraw/zinc/39/90/75/644399075.db2.gz YYFZLYNLBZDZQD-SNVBAGLBSA-N 2 1 226.324 -0.087 20 0 BBADMP C[N@H+](C[C@@H](O)Cn1cccn1)CC(C)(C)[NH3+] ZINC000923387818 644399066 /nfs/dbraw/zinc/39/90/66/644399066.db2.gz YYFZLYNLBZDZQD-SNVBAGLBSA-N 2 1 226.324 -0.087 20 0 BBADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000923388552 644401066 /nfs/dbraw/zinc/40/10/66/644401066.db2.gz PIUFLYLQDFTWHL-VLJOUNFMSA-N 3 1 239.363 -0.102 20 0 BBADMP COC(=O)N(C)CC[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923388849 644401616 /nfs/dbraw/zinc/40/16/16/644401616.db2.gz KDIHFIYUIKWKND-GUBZILKMSA-N 2 1 245.323 -0.533 20 0 BBADMP COC(=O)N(C)CC[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923388849 644401612 /nfs/dbraw/zinc/40/16/12/644401612.db2.gz KDIHFIYUIKWKND-GUBZILKMSA-N 2 1 245.323 -0.533 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@@H](O)C2)C1 ZINC000923389318 644401835 /nfs/dbraw/zinc/40/18/35/644401835.db2.gz VYJQUWAZCGVYTA-JXUBOQSCSA-N 2 1 200.282 -0.706 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@H](O)C2)C1 ZINC000923389333 644401731 /nfs/dbraw/zinc/40/17/31/644401731.db2.gz VYJQUWAZCGVYTA-XKNYDFJKSA-N 2 1 200.282 -0.706 20 0 BBADMP CN(C[C@@H]1CCC[N@H+]1C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923389697 644401702 /nfs/dbraw/zinc/40/17/02/644401702.db2.gz VWRLRCHHKCYRIF-BJDJZHNGSA-N 2 1 227.352 -0.137 20 0 BBADMP CN(C[C@H]1CCC[N@H+]1C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923389699 644401430 /nfs/dbraw/zinc/40/14/30/644401430.db2.gz VWRLRCHHKCYRIF-USZNOCQGSA-N 2 1 227.352 -0.137 20 0 BBADMP CN1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCC1=O ZINC000923390609 644397191 /nfs/dbraw/zinc/39/71/91/644397191.db2.gz UILAITSTTQXMER-GUBZILKMSA-N 2 1 227.308 -0.999 20 0 BBADMP CN1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCC1=O ZINC000923390609 644397186 /nfs/dbraw/zinc/39/71/86/644397186.db2.gz UILAITSTTQXMER-GUBZILKMSA-N 2 1 227.308 -0.999 20 0 BBADMP C[C@]12COC[C@H]1C[N@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000923391563 644397061 /nfs/dbraw/zinc/39/70/61/644397061.db2.gz YNMZHZDTHNVSSF-DGORSVRFSA-N 2 1 226.320 -0.195 20 0 BBADMP C[C@]12COC[C@@H]1C[N@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000923391565 644396190 /nfs/dbraw/zinc/39/61/90/644396190.db2.gz YNMZHZDTHNVSSF-HTFCKZLJSA-N 2 1 226.320 -0.195 20 0 BBADMP C[C@@]12COC[C@@H]1C[N@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000923391568 644396230 /nfs/dbraw/zinc/39/62/30/644396230.db2.gz YNMZHZDTHNVSSF-UHFZAUJKSA-N 2 1 226.320 -0.195 20 0 BBADMP C[C@@]12COC[C@H]1C[N@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000923391570 644396944 /nfs/dbraw/zinc/39/69/44/644396944.db2.gz YNMZHZDTHNVSSF-WTPMCQDGSA-N 2 1 226.320 -0.195 20 0 BBADMP C[N@@H+](C[C@H]1COCCO1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923391745 644397773 /nfs/dbraw/zinc/39/77/73/644397773.db2.gz PNZJNJVWXDCMAB-NAKRPEOUSA-N 2 1 230.308 -0.816 20 0 BBADMP C[N@@H+](C[C@@H]1COCCO1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923391747 644400389 /nfs/dbraw/zinc/40/03/89/644400389.db2.gz PNZJNJVWXDCMAB-VLEAKVRGSA-N 2 1 230.308 -0.816 20 0 BBADMP N[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CC[C@H]1F ZINC000923395084 644401211 /nfs/dbraw/zinc/40/12/11/644401211.db2.gz HMODLNBSBAXDFE-GMTAPVOTSA-N 2 1 243.326 -0.264 20 0 BBADMP N[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CC[C@H]1F ZINC000923395084 644401206 /nfs/dbraw/zinc/40/12/06/644401206.db2.gz HMODLNBSBAXDFE-GMTAPVOTSA-N 2 1 243.326 -0.264 20 0 BBADMP N[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC[C@H]1F ZINC000923395085 644402578 /nfs/dbraw/zinc/40/25/78/644402578.db2.gz HMODLNBSBAXDFE-HBNTYKKESA-N 2 1 243.326 -0.264 20 0 BBADMP N[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC[C@H]1F ZINC000923395085 644402577 /nfs/dbraw/zinc/40/25/77/644402577.db2.gz HMODLNBSBAXDFE-HBNTYKKESA-N 2 1 243.326 -0.264 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@@H]3COC[C@@H]3C2)C1 ZINC000923395462 644401077 /nfs/dbraw/zinc/40/10/77/644401077.db2.gz MYYAWDWODQAEPF-DGORSVRFSA-N 2 1 226.320 -0.195 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@@H]3COC[C@H]3C2)C1 ZINC000923395463 644402495 /nfs/dbraw/zinc/40/24/95/644402495.db2.gz MYYAWDWODQAEPF-GCHJQGSQSA-N 2 1 226.320 -0.195 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@H]3COC[C@@H]3C2)C1 ZINC000923395464 644402396 /nfs/dbraw/zinc/40/23/96/644402396.db2.gz MYYAWDWODQAEPF-HTFCKZLJSA-N 2 1 226.320 -0.195 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@H]3COC[C@H]3C2)C1 ZINC000923395465 644401329 /nfs/dbraw/zinc/40/13/29/644401329.db2.gz MYYAWDWODQAEPF-OSUNSFLBSA-N 2 1 226.320 -0.195 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000923398064 644405120 /nfs/dbraw/zinc/40/51/20/644405120.db2.gz JSZVROBRBQJCKF-DGORSVRFSA-N 3 1 225.336 -0.350 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000923398064 644405117 /nfs/dbraw/zinc/40/51/17/644405117.db2.gz JSZVROBRBQJCKF-DGORSVRFSA-N 3 1 225.336 -0.350 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000923398265 644404049 /nfs/dbraw/zinc/40/40/49/644404049.db2.gz JSZVROBRBQJCKF-HTFCKZLJSA-N 3 1 225.336 -0.350 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000923398265 644404047 /nfs/dbraw/zinc/40/40/47/644404047.db2.gz JSZVROBRBQJCKF-HTFCKZLJSA-N 3 1 225.336 -0.350 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000923398266 644404446 /nfs/dbraw/zinc/40/44/46/644404446.db2.gz JSZVROBRBQJCKF-UHFZAUJKSA-N 3 1 225.336 -0.350 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000923398266 644404444 /nfs/dbraw/zinc/40/44/44/644404444.db2.gz JSZVROBRBQJCKF-UHFZAUJKSA-N 3 1 225.336 -0.350 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000923398267 644405263 /nfs/dbraw/zinc/40/52/63/644405263.db2.gz JSZVROBRBQJCKF-WTPMCQDGSA-N 3 1 225.336 -0.350 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000923398267 644405262 /nfs/dbraw/zinc/40/52/62/644405262.db2.gz JSZVROBRBQJCKF-WTPMCQDGSA-N 3 1 225.336 -0.350 20 0 BBADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000923399770 644407980 /nfs/dbraw/zinc/40/79/80/644407980.db2.gz UFHQLILDLHXNAQ-AXFHLTTASA-N 2 1 214.309 -0.193 20 0 BBADMP COC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000923399770 644407973 /nfs/dbraw/zinc/40/79/73/644407973.db2.gz UFHQLILDLHXNAQ-AXFHLTTASA-N 2 1 214.309 -0.193 20 0 BBADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000923399771 644406646 /nfs/dbraw/zinc/40/66/46/644406646.db2.gz UFHQLILDLHXNAQ-DCAQKATOSA-N 2 1 214.309 -0.193 20 0 BBADMP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000923399771 644406643 /nfs/dbraw/zinc/40/66/43/644406643.db2.gz UFHQLILDLHXNAQ-DCAQKATOSA-N 2 1 214.309 -0.193 20 0 BBADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000923399772 644406069 /nfs/dbraw/zinc/40/60/69/644406069.db2.gz UFHQLILDLHXNAQ-GARJFASQSA-N 2 1 214.309 -0.193 20 0 BBADMP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000923399772 644406062 /nfs/dbraw/zinc/40/60/62/644406062.db2.gz UFHQLILDLHXNAQ-GARJFASQSA-N 2 1 214.309 -0.193 20 0 BBADMP COC[C@H](O)C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000923399773 644407671 /nfs/dbraw/zinc/40/76/71/644407671.db2.gz UFHQLILDLHXNAQ-GMTAPVOTSA-N 2 1 214.309 -0.193 20 0 BBADMP COC[C@H](O)C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000923399773 644407666 /nfs/dbraw/zinc/40/76/66/644407666.db2.gz UFHQLILDLHXNAQ-GMTAPVOTSA-N 2 1 214.309 -0.193 20 0 BBADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000923399774 644407323 /nfs/dbraw/zinc/40/73/23/644407323.db2.gz UFHQLILDLHXNAQ-HBNTYKKESA-N 2 1 214.309 -0.193 20 0 BBADMP COC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000923399774 644407318 /nfs/dbraw/zinc/40/73/18/644407318.db2.gz UFHQLILDLHXNAQ-HBNTYKKESA-N 2 1 214.309 -0.193 20 0 BBADMP COC[C@H](O)C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000923399775 644406547 /nfs/dbraw/zinc/40/65/47/644406547.db2.gz UFHQLILDLHXNAQ-MXWKQRLJSA-N 2 1 214.309 -0.193 20 0 BBADMP COC[C@H](O)C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000923399775 644406544 /nfs/dbraw/zinc/40/65/44/644406544.db2.gz UFHQLILDLHXNAQ-MXWKQRLJSA-N 2 1 214.309 -0.193 20 0 BBADMP COC[C@@H](O)C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000923399776 644407127 /nfs/dbraw/zinc/40/71/27/644407127.db2.gz UFHQLILDLHXNAQ-OUAUKWLOSA-N 2 1 214.309 -0.193 20 0 BBADMP COC[C@@H](O)C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000923399776 644407122 /nfs/dbraw/zinc/40/71/22/644407122.db2.gz UFHQLILDLHXNAQ-OUAUKWLOSA-N 2 1 214.309 -0.193 20 0 BBADMP COC[C@@H](O)C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000923399777 644407715 /nfs/dbraw/zinc/40/77/15/644407715.db2.gz UFHQLILDLHXNAQ-VWYCJHECSA-N 2 1 214.309 -0.193 20 0 BBADMP COC[C@@H](O)C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000923399777 644407712 /nfs/dbraw/zinc/40/77/12/644407712.db2.gz UFHQLILDLHXNAQ-VWYCJHECSA-N 2 1 214.309 -0.193 20 0 BBADMP C[N@@H+](CCOCC[NH3+])C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923401923 644407387 /nfs/dbraw/zinc/40/73/87/644407387.db2.gz AMACIPAJDHQSPF-LLVKDONJSA-N 3 1 243.351 -0.728 20 0 BBADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923401924 644407578 /nfs/dbraw/zinc/40/75/78/644407578.db2.gz AMACIPAJDHQSPF-NSHDSACASA-N 3 1 243.351 -0.728 20 0 BBADMP C[NH2+]CCOCCN(C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923401964 644407030 /nfs/dbraw/zinc/40/70/30/644407030.db2.gz BULADFGMMWEPQX-DCAQKATOSA-N 2 1 231.340 -0.995 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923401964 644407027 /nfs/dbraw/zinc/40/70/27/644407027.db2.gz BULADFGMMWEPQX-DCAQKATOSA-N 3 1 231.340 -0.995 20 0 BBADMP CSC[C@H](O)C[N@@H+](C)CCOCC[NH3+] ZINC000923402345 644406624 /nfs/dbraw/zinc/40/66/24/644406624.db2.gz FFJZOQWPNMLUAD-SECBINFHSA-N 2 1 222.354 -0.383 20 0 BBADMP CSC[C@@H](O)C[N@@H+](C)CCOCC[NH3+] ZINC000923402348 644407234 /nfs/dbraw/zinc/40/72/34/644407234.db2.gz FFJZOQWPNMLUAD-VIFPVBQESA-N 2 1 222.354 -0.383 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)C[C@H](O)CSC ZINC000923403442 644407806 /nfs/dbraw/zinc/40/78/06/644407806.db2.gz QDUDUUJKXONNKK-JTQLQIEISA-N 2 1 236.381 -0.122 20 0 BBADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H](O)CSC ZINC000923403448 644407849 /nfs/dbraw/zinc/40/78/49/644407849.db2.gz QDUDUUJKXONNKK-SNVBAGLBSA-N 2 1 236.381 -0.122 20 0 BBADMP C[N@@H+](CCOCC[NH3+])C[C@@H](O)Cn1cccn1 ZINC000923403907 644407140 /nfs/dbraw/zinc/40/71/40/644407140.db2.gz VORMKVRPWBAKHA-LLVKDONJSA-N 2 1 242.323 -0.849 20 0 BBADMP C[N@@H+](CCOCC[NH3+])C[C@H](O)Cn1cccn1 ZINC000923403908 644407610 /nfs/dbraw/zinc/40/76/10/644407610.db2.gz VORMKVRPWBAKHA-NSHDSACASA-N 2 1 242.323 -0.849 20 0 BBADMP C[C@]12C[NH2+]C[C@@]1(C)CN([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000923409266 644411383 /nfs/dbraw/zinc/41/13/83/644411383.db2.gz LNTGWHCYMNYGAE-PJSNJIKXSA-N 2 1 239.363 -0.232 20 0 BBADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000923409266 644411379 /nfs/dbraw/zinc/41/13/79/644411379.db2.gz LNTGWHCYMNYGAE-PJSNJIKXSA-N 3 1 239.363 -0.232 20 0 BBADMP COC[C@@H](O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000923409562 644412134 /nfs/dbraw/zinc/41/21/34/644412134.db2.gz BISAXFLQQHBLMA-AEJSXWLSSA-N 2 1 202.298 -0.480 20 0 BBADMP COC[C@@H](O)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000923409563 644410322 /nfs/dbraw/zinc/41/03/22/644410322.db2.gz BISAXFLQQHBLMA-GUBZILKMSA-N 2 1 202.298 -0.480 20 0 BBADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923409564 644410877 /nfs/dbraw/zinc/41/08/77/644410877.db2.gz BISAXFLQQHBLMA-UTLUCORTSA-N 2 1 202.298 -0.480 20 0 BBADMP C[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1C[NH3+] ZINC000923409644 644412450 /nfs/dbraw/zinc/41/24/50/644412450.db2.gz CSSAFZWLBNCIHN-GRYCIOLGSA-N 3 1 239.363 -0.109 20 0 BBADMP C[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H]1C[NH3+] ZINC000923409645 644411164 /nfs/dbraw/zinc/41/11/64/644411164.db2.gz CSSAFZWLBNCIHN-IJLUTSLNSA-N 3 1 239.363 -0.109 20 0 BBADMP C[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H]1C[NH3+] ZINC000923409647 644411745 /nfs/dbraw/zinc/41/17/45/644411745.db2.gz CSSAFZWLBNCIHN-UTUOFQBUSA-N 3 1 239.363 -0.109 20 0 BBADMP C[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1C[NH3+] ZINC000923409649 644412621 /nfs/dbraw/zinc/41/26/21/644412621.db2.gz CSSAFZWLBNCIHN-WOPDTQHZSA-N 3 1 239.363 -0.109 20 0 BBADMP C[C@@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H]1C[NH3+] ZINC000923411143 644412553 /nfs/dbraw/zinc/41/25/53/644412553.db2.gz LQXKTRSJFXNRRN-NMUGVGKYSA-N 2 1 213.325 -0.636 20 0 BBADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H]1C[NH3+] ZINC000923411143 644412550 /nfs/dbraw/zinc/41/25/50/644412550.db2.gz LQXKTRSJFXNRRN-NMUGVGKYSA-N 3 1 213.325 -0.636 20 0 BBADMP C[C@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H]1C[NH3+] ZINC000923411145 644411317 /nfs/dbraw/zinc/41/13/17/644411317.db2.gz LQXKTRSJFXNRRN-QHZLYTNSSA-N 2 1 213.325 -0.636 20 0 BBADMP C[C@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H]1C[NH3+] ZINC000923411145 644411314 /nfs/dbraw/zinc/41/13/14/644411314.db2.gz LQXKTRSJFXNRRN-QHZLYTNSSA-N 3 1 213.325 -0.636 20 0 BBADMP C[C@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H]1C[NH3+] ZINC000923411147 644411805 /nfs/dbraw/zinc/41/18/05/644411805.db2.gz LQXKTRSJFXNRRN-SSRBZLIGSA-N 2 1 213.325 -0.636 20 0 BBADMP C[C@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H]1C[NH3+] ZINC000923411147 644411801 /nfs/dbraw/zinc/41/18/01/644411801.db2.gz LQXKTRSJFXNRRN-SSRBZLIGSA-N 3 1 213.325 -0.636 20 0 BBADMP C[C@@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H]1C[NH3+] ZINC000923411149 644412525 /nfs/dbraw/zinc/41/25/25/644412525.db2.gz LQXKTRSJFXNRRN-UVOCVTCTSA-N 2 1 213.325 -0.636 20 0 BBADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H]1C[NH3+] ZINC000923411149 644412524 /nfs/dbraw/zinc/41/25/24/644412524.db2.gz LQXKTRSJFXNRRN-UVOCVTCTSA-N 3 1 213.325 -0.636 20 0 BBADMP CSC[C@H](O)C[NH+]1CCC([NH2+]CCO)CC1 ZINC000923411244 644414254 /nfs/dbraw/zinc/41/42/54/644414254.db2.gz AXFIOULXSWQOSX-LLVKDONJSA-N 2 1 248.392 -0.243 20 0 BBADMP CSC[C@@H](O)C[NH+]1CCC([NH2+]CCO)CC1 ZINC000923411245 644413590 /nfs/dbraw/zinc/41/35/90/644413590.db2.gz AXFIOULXSWQOSX-NSHDSACASA-N 2 1 248.392 -0.243 20 0 BBADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1C[NH3+] ZINC000923412845 644413111 /nfs/dbraw/zinc/41/31/11/644413111.db2.gz YNGLSKXWMULIDW-GRYCIOLGSA-N 2 1 238.335 -0.229 20 0 BBADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C[NH3+] ZINC000923412846 644413783 /nfs/dbraw/zinc/41/37/83/644413783.db2.gz YNGLSKXWMULIDW-IJLUTSLNSA-N 2 1 238.335 -0.229 20 0 BBADMP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1C[NH3+] ZINC000923412847 644415288 /nfs/dbraw/zinc/41/52/88/644415288.db2.gz YNGLSKXWMULIDW-UTUOFQBUSA-N 2 1 238.335 -0.229 20 0 BBADMP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1C[NH3+] ZINC000923412848 644413695 /nfs/dbraw/zinc/41/36/95/644413695.db2.gz YNGLSKXWMULIDW-WOPDTQHZSA-N 2 1 238.335 -0.229 20 0 BBADMP CC1(C)C[C@H](O)C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923413742 644417019 /nfs/dbraw/zinc/41/70/19/644417019.db2.gz HRTWPQWXGIJAEG-NAKRPEOUSA-N 2 1 228.336 -0.070 20 0 BBADMP CC1(C)C[C@@H](O)C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923413743 644415938 /nfs/dbraw/zinc/41/59/38/644415938.db2.gz HRTWPQWXGIJAEG-VLEAKVRGSA-N 2 1 228.336 -0.070 20 0 BBADMP O[C@@H]1CC[N@@H+](CCC[NH2+]C2CC2)C[C@@H]1O ZINC000923416763 644409046 /nfs/dbraw/zinc/40/90/46/644409046.db2.gz ZEMJCNPAUJHRTA-MNOVXSKESA-N 2 1 214.309 -0.444 20 0 BBADMP O[C@@H]1CC[N@H+](CCC[NH2+]C2CC2)C[C@@H]1O ZINC000923416763 644409042 /nfs/dbraw/zinc/40/90/42/644409042.db2.gz ZEMJCNPAUJHRTA-MNOVXSKESA-N 2 1 214.309 -0.444 20 0 BBADMP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000923419354 644422777 /nfs/dbraw/zinc/42/27/77/644422777.db2.gz AVNYQLCHIPBNCS-GRYCIOLGSA-N 2 1 238.331 -0.057 20 0 BBADMP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000923419356 644421185 /nfs/dbraw/zinc/42/11/85/644421185.db2.gz AVNYQLCHIPBNCS-TUAOUCFPSA-N 2 1 238.331 -0.057 20 0 BBADMP CC1(C)[C@H]([NH2+][C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H]1[NH3+] ZINC000923421221 644424495 /nfs/dbraw/zinc/42/44/95/644424495.db2.gz MGAKPLUFUHBTBL-BQHMLIOBSA-N 3 1 213.325 -0.448 20 0 BBADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923421223 644424792 /nfs/dbraw/zinc/42/47/92/644424792.db2.gz MGAKPLUFUHBTBL-RXKWGBCNSA-N 3 1 213.325 -0.448 20 0 BBADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923421225 644423775 /nfs/dbraw/zinc/42/37/75/644423775.db2.gz MGAKPLUFUHBTBL-WLRJLXCNSA-N 3 1 213.325 -0.448 20 0 BBADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923421227 644425558 /nfs/dbraw/zinc/42/55/58/644425558.db2.gz MGAKPLUFUHBTBL-WYCDGMCDSA-N 3 1 213.325 -0.448 20 0 BBADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2C[C@@H]3COC[C@@H]3C2)C1 ZINC000923421883 644417256 /nfs/dbraw/zinc/41/72/56/644417256.db2.gz SEVSWDCQQOVTFU-SSRBZLIGSA-N 2 1 212.293 -0.585 20 0 BBADMP O=C1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCCN1 ZINC000923422341 644418688 /nfs/dbraw/zinc/41/86/88/644418688.db2.gz PUYHKYMSZFTBRR-JTQLQIEISA-N 2 1 239.319 -0.813 20 0 BBADMP O=C1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCCN1 ZINC000923422341 644418685 /nfs/dbraw/zinc/41/86/85/644418685.db2.gz PUYHKYMSZFTBRR-JTQLQIEISA-N 2 1 239.319 -0.813 20 0 BBADMP O=C1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCCN1 ZINC000923422344 644420511 /nfs/dbraw/zinc/42/05/11/644420511.db2.gz PUYHKYMSZFTBRR-SNVBAGLBSA-N 2 1 239.319 -0.813 20 0 BBADMP O=C1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCCN1 ZINC000923422344 644420506 /nfs/dbraw/zinc/42/05/06/644420506.db2.gz PUYHKYMSZFTBRR-SNVBAGLBSA-N 2 1 239.319 -0.813 20 0 BBADMP CN1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1(C)C ZINC000923424561 644418923 /nfs/dbraw/zinc/41/89/23/644418923.db2.gz TWTVLWGQKCQIDS-DCAQKATOSA-N 2 1 227.352 -0.137 20 0 BBADMP CN1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1(C)C ZINC000923424561 644418920 /nfs/dbraw/zinc/41/89/20/644418920.db2.gz TWTVLWGQKCQIDS-DCAQKATOSA-N 2 1 227.352 -0.137 20 0 BBADMP C[N@H+]1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1(C)C ZINC000923424561 644418914 /nfs/dbraw/zinc/41/89/14/644418914.db2.gz TWTVLWGQKCQIDS-DCAQKATOSA-N 2 1 227.352 -0.137 20 0 BBADMP OC[C@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923428568 644422823 /nfs/dbraw/zinc/42/28/23/644422823.db2.gz JJZHFFXSBWHXOW-GHMZBOCLSA-N 2 1 226.320 -0.178 20 0 BBADMP OC[C@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923428570 644421683 /nfs/dbraw/zinc/42/16/83/644421683.db2.gz JJZHFFXSBWHXOW-MNOVXSKESA-N 2 1 226.320 -0.178 20 0 BBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCO)C2 ZINC000923429383 644422585 /nfs/dbraw/zinc/42/25/85/644422585.db2.gz SKRHDIRFEPADKI-NGZCFLSTSA-N 2 1 228.292 -0.809 20 0 BBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@H](C)O)C2 ZINC000923429548 644421756 /nfs/dbraw/zinc/42/17/56/644421756.db2.gz WXJMZCWIQPGOKV-GUDRVLHUSA-N 2 1 242.319 -0.421 20 0 BBADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@@H](C)O)C2 ZINC000923429549 644422786 /nfs/dbraw/zinc/42/27/86/644422786.db2.gz WXJMZCWIQPGOKV-KLBPJQLPSA-N 2 1 242.319 -0.421 20 0 BBADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H]1CC[NH3+] ZINC000923430227 644422808 /nfs/dbraw/zinc/42/28/08/644422808.db2.gz DEEQDCRDPFKKQW-GCHJQGSQSA-N 3 1 227.352 -0.246 20 0 BBADMP OCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000923430797 644424717 /nfs/dbraw/zinc/42/47/17/644424717.db2.gz KNBFJRWUVDWBSG-BETUJISGSA-N 2 1 239.363 -0.121 20 0 BBADMP OCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000923430797 644424715 /nfs/dbraw/zinc/42/47/15/644424715.db2.gz KNBFJRWUVDWBSG-BETUJISGSA-N 2 1 239.363 -0.121 20 0 BBADMP OCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000923430797 644424713 /nfs/dbraw/zinc/42/47/13/644424713.db2.gz KNBFJRWUVDWBSG-BETUJISGSA-N 2 1 239.363 -0.121 20 0 BBADMP C[C@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923433517 644426582 /nfs/dbraw/zinc/42/65/82/644426582.db2.gz UGHWVKAYCOOVQM-NAKRPEOUSA-N 2 1 214.309 -0.052 20 0 BBADMP C[C@@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923433518 644426768 /nfs/dbraw/zinc/42/67/68/644426768.db2.gz UGHWVKAYCOOVQM-RCWTZXSCSA-N 2 1 214.309 -0.052 20 0 BBADMP C[C@@H]1COCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923433770 644426444 /nfs/dbraw/zinc/42/64/44/644426444.db2.gz XEXKMVAJSPFZEW-NAKRPEOUSA-N 2 1 214.309 -0.195 20 0 BBADMP C[C@H]1COCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923433771 644427053 /nfs/dbraw/zinc/42/70/53/644427053.db2.gz XEXKMVAJSPFZEW-RCWTZXSCSA-N 2 1 214.309 -0.195 20 0 BBADMP COC(=O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449454 644438998 /nfs/dbraw/zinc/43/89/98/644438998.db2.gz AOPDFJDHCBWXCX-JTQLQIEISA-N 2 1 242.319 -0.011 20 0 BBADMP COC(=O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449455 644440024 /nfs/dbraw/zinc/44/00/24/644440024.db2.gz AOPDFJDHCBWXCX-SNVBAGLBSA-N 2 1 242.319 -0.011 20 0 BBADMP NCC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923451678 644440600 /nfs/dbraw/zinc/44/06/00/644440600.db2.gz PDBHJZCQUXBKPF-JTQLQIEISA-N 2 1 213.325 -0.225 20 0 BBADMP NCC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923451679 644439449 /nfs/dbraw/zinc/43/94/49/644439449.db2.gz PDBHJZCQUXBKPF-SNVBAGLBSA-N 2 1 213.325 -0.225 20 0 BBADMP CN1CCC[C@@H](N2CC[NH2+]CC[NH2+]CC2)C1=O ZINC000923459476 644439020 /nfs/dbraw/zinc/43/90/20/644439020.db2.gz CDUWKKDMMHSXTF-LLVKDONJSA-N 2 1 240.351 -0.898 20 0 BBADMP CN1CCC[C@H](N2CC[NH2+]CC[NH2+]CC2)C1=O ZINC000923459477 644439990 /nfs/dbraw/zinc/43/99/90/644439990.db2.gz CDUWKKDMMHSXTF-NSHDSACASA-N 2 1 240.351 -0.898 20 0 BBADMP CCN1CC[C@@H](N2CC[NH2+]CC[NH2+]CC2)C1=O ZINC000923459555 644440189 /nfs/dbraw/zinc/44/01/89/644440189.db2.gz DNBFQRFWTDGGBJ-LLVKDONJSA-N 2 1 240.351 -0.898 20 0 BBADMP CCN1CC[C@H](N2CC[NH2+]CC[NH2+]CC2)C1=O ZINC000923459556 644439699 /nfs/dbraw/zinc/43/96/99/644439699.db2.gz DNBFQRFWTDGGBJ-NSHDSACASA-N 2 1 240.351 -0.898 20 0 BBADMP C([C@H]1CCC[NH2+]1)N1CCNCC[NH2+]CC1 ZINC000923459779 644436076 /nfs/dbraw/zinc/43/60/76/644436076.db2.gz GCKFSHXABKWYCI-LLVKDONJSA-N 2 1 212.341 -0.767 20 0 BBADMP F[C@@H]1C[NH2+][C@H](CN2CCNCC[NH2+]CC2)C1 ZINC000923459927 644439931 /nfs/dbraw/zinc/43/99/31/644439931.db2.gz IAGJUPCFHNDEJA-QWRGUYRKSA-N 2 1 230.331 -0.819 20 0 BBADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)NCC1CC1 ZINC000923460121 644447169 /nfs/dbraw/zinc/44/71/69/644447169.db2.gz QSDCCMRAGSIDNB-UHFFFAOYSA-N 2 1 240.351 -0.993 20 0 BBADMP C(C[NH2+]C1CC1)CN1CCNCC[NH2+]CC1 ZINC000923460450 644442035 /nfs/dbraw/zinc/44/20/35/644442035.db2.gz OGEXCVZTAXMQSR-UHFFFAOYSA-N 2 1 226.368 -0.377 20 0 BBADMP C[C@@H]1C[NH2+]C[C@H]1CN1CCNCC[NH2+]CC1 ZINC000923460714 644446263 /nfs/dbraw/zinc/44/62/63/644446263.db2.gz PPIXZFZWVLLYOL-NEPJUHHUSA-N 2 1 226.368 -0.663 20 0 BBADMP CN(C(=O)CN1CC[NH2+]CC[NH2+]CC1)C1CC1 ZINC000923460944 644445147 /nfs/dbraw/zinc/44/51/47/644445147.db2.gz YDYYSDNMRJVEKZ-UHFFFAOYSA-N 2 1 240.351 -0.898 20 0 BBADMP C([C@@H]1CCC[NH2+]C1)N1CCNCC[NH2+]CC1 ZINC000923461269 644446588 /nfs/dbraw/zinc/44/65/88/644446588.db2.gz VAXKHDKCJAWYRH-GFCCVEGCSA-N 2 1 226.368 -0.519 20 0 BBADMP C([C@H]1CCC[NH2+]C1)N1CCNCC[NH2+]CC1 ZINC000923461270 644446785 /nfs/dbraw/zinc/44/67/85/644446785.db2.gz VAXKHDKCJAWYRH-LBPRGKRZSA-N 2 1 226.368 -0.519 20 0 BBADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)N1CCCC1 ZINC000923462608 644446567 /nfs/dbraw/zinc/44/65/67/644446567.db2.gz MAFJVQRDZNVSFQ-UHFFFAOYSA-N 2 1 240.351 -0.896 20 0 BBADMP CCN(CC)C(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923462949 644445196 /nfs/dbraw/zinc/44/51/96/644445196.db2.gz NBLRPHMSKNXTRZ-UHFFFAOYSA-N 2 1 242.367 -0.650 20 0 BBADMP CCCNC(=O)[C@@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923464349 644450311 /nfs/dbraw/zinc/45/03/11/644450311.db2.gz NIZXMNUIRKXJDU-LLVKDONJSA-N 2 1 242.367 -0.604 20 0 BBADMP CCCNC(=O)[C@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923464353 644449654 /nfs/dbraw/zinc/44/96/54/644449654.db2.gz NIZXMNUIRKXJDU-NSHDSACASA-N 2 1 242.367 -0.604 20 0 BBADMP CCCNC(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923465526 644443629 /nfs/dbraw/zinc/44/36/29/644443629.db2.gz GRJDMADXQZYXNG-UHFFFAOYSA-N 2 1 228.340 -0.993 20 0 BBADMP CC(C)CNC(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923465792 644444308 /nfs/dbraw/zinc/44/43/08/644444308.db2.gz MUBIUNQZQQAIIU-UHFFFAOYSA-N 2 1 242.367 -0.747 20 0 BBADMP C[C@@H](C(=O)NC1CC1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923465865 644443763 /nfs/dbraw/zinc/44/37/63/644443763.db2.gz FHPBPFJWWBJOGB-JTQLQIEISA-N 2 1 240.351 -0.852 20 0 BBADMP C[C@H](C(=O)NC1CC1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923465866 644443364 /nfs/dbraw/zinc/44/33/64/644443364.db2.gz FHPBPFJWWBJOGB-SNVBAGLBSA-N 2 1 240.351 -0.852 20 0 BBADMP CC(C)NC(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923466000 644443870 /nfs/dbraw/zinc/44/38/70/644443870.db2.gz PWDZMYVRZVIPAD-UHFFFAOYSA-N 2 1 228.340 -0.994 20 0 BBADMP CC[C@@H](C)NC(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923466161 644443717 /nfs/dbraw/zinc/44/37/17/644443717.db2.gz SYHIXRUHBBOGTI-LLVKDONJSA-N 2 1 242.367 -0.604 20 0 BBADMP CC[C@H](C)NC(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923466162 644443295 /nfs/dbraw/zinc/44/32/95/644443295.db2.gz SYHIXRUHBBOGTI-NSHDSACASA-N 2 1 242.367 -0.604 20 0 BBADMP CC(C)(C)NC(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923466168 644443279 /nfs/dbraw/zinc/44/32/79/644443279.db2.gz UASMZVNZKYOYGT-UHFFFAOYSA-N 2 1 242.367 -0.604 20 0 BBADMP Cn1c[nH+]cc1CCN1CCC[C@]([NH3+])(CO)C1 ZINC000923470714 644449386 /nfs/dbraw/zinc/44/93/86/644449386.db2.gz AKNCYFCNFBFBGG-GFCCVEGCSA-N 2 1 238.335 -0.252 20 0 BBADMP Cn1c[nH+]cc1CCN1CCC[C@@]([NH3+])(CO)C1 ZINC000923470717 644449975 /nfs/dbraw/zinc/44/99/75/644449975.db2.gz AKNCYFCNFBFBGG-LBPRGKRZSA-N 2 1 238.335 -0.252 20 0 BBADMP [NH3+][C@]1(CO)CCCN(CC2CC[NH2+]CC2)C1 ZINC000923472336 644456212 /nfs/dbraw/zinc/45/62/12/644456212.db2.gz KUKBASOTLYOCJB-GFCCVEGCSA-N 2 1 227.352 -0.228 20 0 BBADMP N[C@]1(CO)CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000923472336 644456207 /nfs/dbraw/zinc/45/62/07/644456207.db2.gz KUKBASOTLYOCJB-GFCCVEGCSA-N 2 1 227.352 -0.228 20 0 BBADMP [NH3+][C@@]1(CO)CCCN(CC2CC[NH2+]CC2)C1 ZINC000923472338 644455771 /nfs/dbraw/zinc/45/57/71/644455771.db2.gz KUKBASOTLYOCJB-LBPRGKRZSA-N 2 1 227.352 -0.228 20 0 BBADMP N[C@@]1(CO)CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000923472338 644455768 /nfs/dbraw/zinc/45/57/68/644455768.db2.gz KUKBASOTLYOCJB-LBPRGKRZSA-N 2 1 227.352 -0.228 20 0 BBADMP [NH3+][C@@H]1CC[C@H](CN2CCC[C@]([NH3+])(CO)C2)C1 ZINC000923474338 644452029 /nfs/dbraw/zinc/45/20/29/644452029.db2.gz SCJQIWYEZALEBG-QJPTWQEYSA-N 2 1 227.352 -0.101 20 0 BBADMP N[C@]1(CO)CCC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000923474338 644452026 /nfs/dbraw/zinc/45/20/26/644452026.db2.gz SCJQIWYEZALEBG-QJPTWQEYSA-N 2 1 227.352 -0.101 20 0 BBADMP [NH3+][C@@H]1CC[C@H](CN2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000923474340 644450720 /nfs/dbraw/zinc/45/07/20/644450720.db2.gz SCJQIWYEZALEBG-TUAOUCFPSA-N 2 1 227.352 -0.101 20 0 BBADMP N[C@@]1(CO)CCC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000923474340 644450717 /nfs/dbraw/zinc/45/07/17/644450717.db2.gz SCJQIWYEZALEBG-TUAOUCFPSA-N 2 1 227.352 -0.101 20 0 BBADMP N[C@@]1(CO)CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000923475226 644454721 /nfs/dbraw/zinc/45/47/21/644454721.db2.gz PDYOIESNIHZGRX-NEPJUHHUSA-N 2 1 227.352 -0.228 20 0 BBADMP N[C@@]1(CO)CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000923475226 644454718 /nfs/dbraw/zinc/45/47/18/644454718.db2.gz PDYOIESNIHZGRX-NEPJUHHUSA-N 2 1 227.352 -0.228 20 0 BBADMP N[C@]1(CO)CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000923475227 644453743 /nfs/dbraw/zinc/45/37/43/644453743.db2.gz PDYOIESNIHZGRX-NWDGAFQWSA-N 2 1 227.352 -0.228 20 0 BBADMP N[C@]1(CO)CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000923475227 644453739 /nfs/dbraw/zinc/45/37/39/644453739.db2.gz PDYOIESNIHZGRX-NWDGAFQWSA-N 2 1 227.352 -0.228 20 0 BBADMP N[C@@]1(CO)CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000923475228 644454149 /nfs/dbraw/zinc/45/41/49/644454149.db2.gz PDYOIESNIHZGRX-RYUDHWBXSA-N 2 1 227.352 -0.228 20 0 BBADMP N[C@@]1(CO)CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000923475228 644454144 /nfs/dbraw/zinc/45/41/44/644454144.db2.gz PDYOIESNIHZGRX-RYUDHWBXSA-N 2 1 227.352 -0.228 20 0 BBADMP N[C@]1(CO)CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000923475229 644453000 /nfs/dbraw/zinc/45/30/00/644453000.db2.gz PDYOIESNIHZGRX-VXGBXAGGSA-N 2 1 227.352 -0.228 20 0 BBADMP N[C@]1(CO)CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000923475229 644452995 /nfs/dbraw/zinc/45/29/95/644452995.db2.gz PDYOIESNIHZGRX-VXGBXAGGSA-N 2 1 227.352 -0.228 20 0 BBADMP Cn1nnnc1CC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923478396 644455987 /nfs/dbraw/zinc/45/59/87/644455987.db2.gz BKMFNFDXXHRYNR-SECBINFHSA-N 2 1 224.312 -0.577 20 0 BBADMP Cn1nnnc1CC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923478400 644456082 /nfs/dbraw/zinc/45/60/82/644456082.db2.gz BKMFNFDXXHRYNR-VIFPVBQESA-N 2 1 224.312 -0.577 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480077 712334758 /nfs/dbraw/zinc/33/47/58/712334758.db2.gz DYJTXZRECLXLSE-GHMZBOCLSA-N 3 1 215.341 -0.373 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480078 712334166 /nfs/dbraw/zinc/33/41/66/712334166.db2.gz DYJTXZRECLXLSE-MNOVXSKESA-N 3 1 215.341 -0.373 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480080 712334321 /nfs/dbraw/zinc/33/43/21/712334321.db2.gz DYJTXZRECLXLSE-QWRGUYRKSA-N 3 1 215.341 -0.373 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480082 712334271 /nfs/dbraw/zinc/33/42/71/712334271.db2.gz DYJTXZRECLXLSE-WDEREUQCSA-N 3 1 215.341 -0.373 20 0 BBADMP CON1CC[C@@H]([N@H+]2CC[C@@H](CC[NH3+])C2)C1=O ZINC000923480646 644460246 /nfs/dbraw/zinc/46/02/46/644460246.db2.gz ZIDQKMWUIPQKRP-NXEZZACHSA-N 2 1 227.308 -0.181 20 0 BBADMP CON1CC[C@H]([N@H+]2CC[C@H](CC[NH3+])C2)C1=O ZINC000923480648 644460124 /nfs/dbraw/zinc/46/01/24/644460124.db2.gz ZIDQKMWUIPQKRP-UWVGGRQHSA-N 2 1 227.308 -0.181 20 0 BBADMP CON1CC[C@@H]([N@H+]2CC[C@H](CC[NH3+])C2)C1=O ZINC000923480651 644460002 /nfs/dbraw/zinc/46/00/02/644460002.db2.gz ZIDQKMWUIPQKRP-VHSXEESVSA-N 2 1 227.308 -0.181 20 0 BBADMP CON1CC[C@H]([N@H+]2CC[C@@H](CC[NH3+])C2)C1=O ZINC000923480654 644459417 /nfs/dbraw/zinc/45/94/17/644459417.db2.gz ZIDQKMWUIPQKRP-ZJUUUORDSA-N 2 1 227.308 -0.181 20 0 BBADMP CCS(=O)(=O)NCC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923481014 644458894 /nfs/dbraw/zinc/45/88/94/644458894.db2.gz FNOUYXVQYVJBHG-JTQLQIEISA-N 2 1 249.380 -0.404 20 0 BBADMP CCS(=O)(=O)NCC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923481015 644459683 /nfs/dbraw/zinc/45/96/83/644459683.db2.gz FNOUYXVQYVJBHG-SNVBAGLBSA-N 2 1 249.380 -0.404 20 0 BBADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H]2CNCCO2)C1 ZINC000923481659 644459157 /nfs/dbraw/zinc/45/91/57/644459157.db2.gz UAMAGRMBGMFMMT-GHMZBOCLSA-N 3 1 213.325 -0.355 20 0 BBADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2CNCCO2)C1 ZINC000923481660 644460459 /nfs/dbraw/zinc/46/04/59/644460459.db2.gz UAMAGRMBGMFMMT-MNOVXSKESA-N 3 1 213.325 -0.355 20 0 BBADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H]2CNCCO2)C1 ZINC000923481661 644459031 /nfs/dbraw/zinc/45/90/31/644459031.db2.gz UAMAGRMBGMFMMT-QWRGUYRKSA-N 3 1 213.325 -0.355 20 0 BBADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@H]2CNCCO2)C1 ZINC000923481662 644458202 /nfs/dbraw/zinc/45/82/02/644458202.db2.gz UAMAGRMBGMFMMT-WDEREUQCSA-N 3 1 213.325 -0.355 20 0 BBADMP C[C@H](c1nnnn1C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923482059 644460444 /nfs/dbraw/zinc/46/04/44/644460444.db2.gz XLRAWGQDJXBGIB-BDAKNGLRSA-N 2 1 224.312 -0.058 20 0 BBADMP C[C@@H](c1nnnn1C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923482061 644460399 /nfs/dbraw/zinc/46/03/99/644460399.db2.gz XLRAWGQDJXBGIB-DTWKUNHWSA-N 2 1 224.312 -0.058 20 0 BBADMP C[C@@H](c1nnnn1C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923482155 644459338 /nfs/dbraw/zinc/45/93/38/644459338.db2.gz XLRAWGQDJXBGIB-IUCAKERBSA-N 2 1 224.312 -0.058 20 0 BBADMP C[C@H](c1nnnn1C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923482156 644458553 /nfs/dbraw/zinc/45/85/53/644458553.db2.gz XLRAWGQDJXBGIB-RKDXNWHRSA-N 2 1 224.312 -0.058 20 0 BBADMP CCOCCNC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923483074 644459379 /nfs/dbraw/zinc/45/93/79/644459379.db2.gz XBXNSSZHGCUESZ-LLVKDONJSA-N 2 1 243.351 -0.190 20 0 BBADMP CCOCCNC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923483075 644460292 /nfs/dbraw/zinc/46/02/92/644460292.db2.gz XBXNSSZHGCUESZ-NSHDSACASA-N 2 1 243.351 -0.190 20 0 BBADMP CS(=O)(=O)NCC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923483235 644459404 /nfs/dbraw/zinc/45/94/04/644459404.db2.gz XVBBSBURSAIHSS-SECBINFHSA-N 2 1 235.353 -0.794 20 0 BBADMP CS(=O)(=O)NCC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923483238 644459235 /nfs/dbraw/zinc/45/92/35/644459235.db2.gz XVBBSBURSAIHSS-VIFPVBQESA-N 2 1 235.353 -0.794 20 0 BBADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000923484215 644461211 /nfs/dbraw/zinc/46/12/11/644461211.db2.gz HTPDIJFOYFPKCZ-NEPJUHHUSA-N 2 1 238.335 -0.085 20 0 BBADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000923484216 644462085 /nfs/dbraw/zinc/46/20/85/644462085.db2.gz HTPDIJFOYFPKCZ-NWDGAFQWSA-N 2 1 238.335 -0.085 20 0 BBADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000923484217 644463489 /nfs/dbraw/zinc/46/34/89/644463489.db2.gz HTPDIJFOYFPKCZ-RYUDHWBXSA-N 2 1 238.335 -0.085 20 0 BBADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000923484218 644461477 /nfs/dbraw/zinc/46/14/77/644461477.db2.gz HTPDIJFOYFPKCZ-VXGBXAGGSA-N 2 1 238.335 -0.085 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923484867 644463235 /nfs/dbraw/zinc/46/32/35/644463235.db2.gz PDQWVTGLEHCFKR-JTQLQIEISA-N 3 1 201.314 -0.368 20 0 BBADMP [NH3+]CCOCC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923484868 644461039 /nfs/dbraw/zinc/46/10/39/644461039.db2.gz PDQWVTGLEHCFKR-SNVBAGLBSA-N 3 1 201.314 -0.368 20 0 BBADMP C[C@@H]1C[N@@H+](CCc2nnnn2C)CC[C@@H]1C[NH3+] ZINC000923489364 644465035 /nfs/dbraw/zinc/46/50/35/644465035.db2.gz JFFUJAPMXJFXJU-NXEZZACHSA-N 2 1 238.339 -0.331 20 0 BBADMP C[C@H]1C[N@@H+](CCc2nnnn2C)CC[C@H]1C[NH3+] ZINC000923489365 644466426 /nfs/dbraw/zinc/46/64/26/644466426.db2.gz JFFUJAPMXJFXJU-UWVGGRQHSA-N 2 1 238.339 -0.331 20 0 BBADMP C[C@H]1C[N@@H+](CCc2nnnn2C)CC[C@@H]1C[NH3+] ZINC000923489368 644465845 /nfs/dbraw/zinc/46/58/45/644465845.db2.gz JFFUJAPMXJFXJU-VHSXEESVSA-N 2 1 238.339 -0.331 20 0 BBADMP C[C@@H]1C[N@@H+](CCc2nnnn2C)CC[C@H]1C[NH3+] ZINC000923489371 644465922 /nfs/dbraw/zinc/46/59/22/644465922.db2.gz JFFUJAPMXJFXJU-ZJUUUORDSA-N 2 1 238.339 -0.331 20 0 BBADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@H]1C[NH3+] ZINC000923489788 644465011 /nfs/dbraw/zinc/46/50/11/644465011.db2.gz KXWDVSVGKQZDPL-DGORSVRFSA-N 3 1 227.352 -0.246 20 0 BBADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@@H]1C[NH3+] ZINC000923489789 644466356 /nfs/dbraw/zinc/46/63/56/644466356.db2.gz KXWDVSVGKQZDPL-GCHJQGSQSA-N 3 1 227.352 -0.246 20 0 BBADMP C[C@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@H]1C[NH3+] ZINC000923489790 644466063 /nfs/dbraw/zinc/46/60/63/644466063.db2.gz KXWDVSVGKQZDPL-HTFCKZLJSA-N 3 1 227.352 -0.246 20 0 BBADMP C[C@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@@H]1C[NH3+] ZINC000923489791 644465123 /nfs/dbraw/zinc/46/51/23/644465123.db2.gz KXWDVSVGKQZDPL-OSUNSFLBSA-N 3 1 227.352 -0.246 20 0 BBADMP C[C@@H]1C[N@@H+](CCCS(N)(=O)=O)CC[C@@H]1C[NH3+] ZINC000923490995 644465334 /nfs/dbraw/zinc/46/53/34/644465334.db2.gz PQSJNXACRRLBHC-NXEZZACHSA-N 2 1 249.380 -0.418 20 0 BBADMP C[C@H]1C[N@@H+](CCCS(N)(=O)=O)CC[C@H]1C[NH3+] ZINC000923490997 644465771 /nfs/dbraw/zinc/46/57/71/644465771.db2.gz PQSJNXACRRLBHC-UWVGGRQHSA-N 2 1 249.380 -0.418 20 0 BBADMP C[C@H]1C[N@@H+](CCCS(N)(=O)=O)CC[C@@H]1C[NH3+] ZINC000923490999 644466072 /nfs/dbraw/zinc/46/60/72/644466072.db2.gz PQSJNXACRRLBHC-VHSXEESVSA-N 2 1 249.380 -0.418 20 0 BBADMP C[C@@H]1C[N@@H+](CCCS(N)(=O)=O)CC[C@H]1C[NH3+] ZINC000923491001 644464692 /nfs/dbraw/zinc/46/46/92/644464692.db2.gz PQSJNXACRRLBHC-ZJUUUORDSA-N 2 1 249.380 -0.418 20 0 BBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923491228 644465662 /nfs/dbraw/zinc/46/56/62/644465662.db2.gz LIJKQTBABJGWQI-JTQLQIEISA-N 2 1 249.380 -0.404 20 0 BBADMP CNS(=O)(=O)CCC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923491230 644464838 /nfs/dbraw/zinc/46/48/38/644464838.db2.gz LIJKQTBABJGWQI-SNVBAGLBSA-N 2 1 249.380 -0.404 20 0 BBADMP C[C@@H]1C[N@@H+](C[C@H]2CNCCO2)CC[C@H]1C[NH3+] ZINC000923491391 644464610 /nfs/dbraw/zinc/46/46/10/644464610.db2.gz RHUDDXGGRPDYAT-GRYCIOLGSA-N 2 1 227.352 -0.109 20 0 BBADMP C[C@@H]1C[N@@H+](C[C@H]2CNCCO2)CC[C@@H]1C[NH3+] ZINC000923491394 644465890 /nfs/dbraw/zinc/46/58/90/644465890.db2.gz RHUDDXGGRPDYAT-IJLUTSLNSA-N 2 1 227.352 -0.109 20 0 BBADMP C[C@@H]1C[N@@H+](C[C@@H]2CNCCO2)CC[C@@H]1C[NH3+] ZINC000923491396 644464729 /nfs/dbraw/zinc/46/47/29/644464729.db2.gz RHUDDXGGRPDYAT-UTUOFQBUSA-N 2 1 227.352 -0.109 20 0 BBADMP C[C@@H]1C[N@@H+](C[C@@H]2CNCCO2)CC[C@H]1C[NH3+] ZINC000923491397 644465709 /nfs/dbraw/zinc/46/57/09/644465709.db2.gz RHUDDXGGRPDYAT-WOPDTQHZSA-N 2 1 227.352 -0.109 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923492835 644467221 /nfs/dbraw/zinc/46/72/21/644467221.db2.gz QDFQEUYGSGCWOM-AXFHLTTASA-N 2 1 216.325 -0.090 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923492836 644467974 /nfs/dbraw/zinc/46/79/74/644467974.db2.gz QDFQEUYGSGCWOM-DCAQKATOSA-N 2 1 216.325 -0.090 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923492837 644468372 /nfs/dbraw/zinc/46/83/72/644468372.db2.gz QDFQEUYGSGCWOM-GARJFASQSA-N 2 1 216.325 -0.090 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923492838 644466857 /nfs/dbraw/zinc/46/68/57/644466857.db2.gz QDFQEUYGSGCWOM-GMTAPVOTSA-N 2 1 216.325 -0.090 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923492839 644468298 /nfs/dbraw/zinc/46/82/98/644468298.db2.gz QDFQEUYGSGCWOM-HBNTYKKESA-N 2 1 216.325 -0.090 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923492840 644468383 /nfs/dbraw/zinc/46/83/83/644468383.db2.gz QDFQEUYGSGCWOM-MXWKQRLJSA-N 2 1 216.325 -0.090 20 0 BBADMP COC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923492841 644467963 /nfs/dbraw/zinc/46/79/63/644467963.db2.gz QDFQEUYGSGCWOM-OUAUKWLOSA-N 2 1 216.325 -0.090 20 0 BBADMP COC[C@@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923492842 644467229 /nfs/dbraw/zinc/46/72/29/644467229.db2.gz QDFQEUYGSGCWOM-VWYCJHECSA-N 2 1 216.325 -0.090 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923495181 644461458 /nfs/dbraw/zinc/46/14/58/644461458.db2.gz UWYZBXTVJGOYJV-SRVKXCTJSA-N 3 1 229.368 -0.127 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923495182 644462262 /nfs/dbraw/zinc/46/22/62/644462262.db2.gz UWYZBXTVJGOYJV-TUAOUCFPSA-N 3 1 229.368 -0.127 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495183 644463404 /nfs/dbraw/zinc/46/34/04/644463404.db2.gz UWYZBXTVJGOYJV-UTUOFQBUSA-N 3 1 229.368 -0.127 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495184 644463475 /nfs/dbraw/zinc/46/34/75/644463475.db2.gz UWYZBXTVJGOYJV-WOPDTQHZSA-N 3 1 229.368 -0.127 20 0 BBADMP C[C@@H]1C[N@@H+](Cc2nnnn2C)CC[C@H]1C[NH3+] ZINC000923495941 644462635 /nfs/dbraw/zinc/46/26/35/644462635.db2.gz FJDJYEVYIFNBHX-BDAKNGLRSA-N 2 1 224.312 -0.373 20 0 BBADMP C[C@@H]1C[N@H+](Cc2nnnn2C)CC[C@H]1C[NH3+] ZINC000923495941 644462631 /nfs/dbraw/zinc/46/26/31/644462631.db2.gz FJDJYEVYIFNBHX-BDAKNGLRSA-N 2 1 224.312 -0.373 20 0 BBADMP C[C@H]1C[N@@H+](Cc2nnnn2C)CC[C@@H]1C[NH3+] ZINC000923495943 644462251 /nfs/dbraw/zinc/46/22/51/644462251.db2.gz FJDJYEVYIFNBHX-DTWKUNHWSA-N 2 1 224.312 -0.373 20 0 BBADMP C[C@H]1C[N@H+](Cc2nnnn2C)CC[C@@H]1C[NH3+] ZINC000923495943 644462250 /nfs/dbraw/zinc/46/22/50/644462250.db2.gz FJDJYEVYIFNBHX-DTWKUNHWSA-N 2 1 224.312 -0.373 20 0 BBADMP C[C@H]1C[N@@H+](Cc2nnnn2C)CC[C@H]1C[NH3+] ZINC000923495945 644463545 /nfs/dbraw/zinc/46/35/45/644463545.db2.gz FJDJYEVYIFNBHX-IUCAKERBSA-N 2 1 224.312 -0.373 20 0 BBADMP C[C@H]1C[N@H+](Cc2nnnn2C)CC[C@H]1C[NH3+] ZINC000923495945 644463540 /nfs/dbraw/zinc/46/35/40/644463540.db2.gz FJDJYEVYIFNBHX-IUCAKERBSA-N 2 1 224.312 -0.373 20 0 BBADMP C[C@@H]1C[N@@H+](Cc2nnnn2C)CC[C@@H]1C[NH3+] ZINC000923495947 644461322 /nfs/dbraw/zinc/46/13/22/644461322.db2.gz FJDJYEVYIFNBHX-RKDXNWHRSA-N 2 1 224.312 -0.373 20 0 BBADMP C[C@@H]1C[N@H+](Cc2nnnn2C)CC[C@@H]1C[NH3+] ZINC000923495947 644461318 /nfs/dbraw/zinc/46/13/18/644461318.db2.gz FJDJYEVYIFNBHX-RKDXNWHRSA-N 2 1 224.312 -0.373 20 0 BBADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)CC[C@@H]1C[NH3+] ZINC000923497505 644473286 /nfs/dbraw/zinc/47/32/86/644473286.db2.gz LGOLBNYCVGQUHF-BBBLOLIVSA-N 2 1 211.309 -0.208 20 0 BBADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CC[C@H]1C[NH3+] ZINC000923497506 644473789 /nfs/dbraw/zinc/47/37/89/644473789.db2.gz LGOLBNYCVGQUHF-KXUCPTDWSA-N 2 1 211.309 -0.208 20 0 BBADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CC[C@@H]1C[NH3+] ZINC000923497507 644473045 /nfs/dbraw/zinc/47/30/45/644473045.db2.gz LGOLBNYCVGQUHF-OPRDCNLKSA-N 2 1 211.309 -0.208 20 0 BBADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)CC[C@H]1C[NH3+] ZINC000923497508 644473566 /nfs/dbraw/zinc/47/35/66/644473566.db2.gz LGOLBNYCVGQUHF-UTLUCORTSA-N 2 1 211.309 -0.208 20 0 BBADMP C[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC000923497990 644473345 /nfs/dbraw/zinc/47/33/45/644473345.db2.gz HFNKERIHEWNLEA-CHWSQXEVSA-N 3 1 240.395 -0.192 20 0 BBADMP C[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC000923497991 644472245 /nfs/dbraw/zinc/47/22/45/644472245.db2.gz HFNKERIHEWNLEA-OLZOCXBDSA-N 3 1 240.395 -0.192 20 0 BBADMP C[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC000923497992 644472789 /nfs/dbraw/zinc/47/27/89/644472789.db2.gz HFNKERIHEWNLEA-QWHCGFSZSA-N 3 1 240.395 -0.192 20 0 BBADMP C[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC000923497993 644473927 /nfs/dbraw/zinc/47/39/27/644473927.db2.gz HFNKERIHEWNLEA-STQMWFEESA-N 3 1 240.395 -0.192 20 0 BBADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)CC[C@@H]1C[NH3+] ZINC000923499236 644472332 /nfs/dbraw/zinc/47/23/32/644472332.db2.gz RQTKBBPEFNZAAC-NXEZZACHSA-N 2 1 249.380 -0.548 20 0 BBADMP C[C@H]1C[N@@H+](CCNS(C)(=O)=O)CC[C@H]1C[NH3+] ZINC000923499238 644472618 /nfs/dbraw/zinc/47/26/18/644472618.db2.gz RQTKBBPEFNZAAC-UWVGGRQHSA-N 2 1 249.380 -0.548 20 0 BBADMP C[C@H]1C[N@@H+](CCNS(C)(=O)=O)CC[C@@H]1C[NH3+] ZINC000923499239 644474066 /nfs/dbraw/zinc/47/40/66/644474066.db2.gz RQTKBBPEFNZAAC-VHSXEESVSA-N 2 1 249.380 -0.548 20 0 BBADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)CC[C@H]1C[NH3+] ZINC000923499241 644472349 /nfs/dbraw/zinc/47/23/49/644472349.db2.gz RQTKBBPEFNZAAC-ZJUUUORDSA-N 2 1 249.380 -0.548 20 0 BBADMP C[C@@H]1C[N@@H+](CCOCC[NH3+])CC[C@@H]1C[NH3+] ZINC000923500341 644473294 /nfs/dbraw/zinc/47/32/94/644473294.db2.gz NQJWXBJMAIFWRN-GHMZBOCLSA-N 3 1 215.341 -0.122 20 0 BBADMP C[C@@H]1C[N@@H+](CCOCC[NH3+])CC[C@H]1C[NH3+] ZINC000923500343 644473137 /nfs/dbraw/zinc/47/31/37/644473137.db2.gz NQJWXBJMAIFWRN-MNOVXSKESA-N 3 1 215.341 -0.122 20 0 BBADMP C[C@H]1C[N@@H+](CCOCC[NH3+])CC[C@H]1C[NH3+] ZINC000923500345 644474188 /nfs/dbraw/zinc/47/41/88/644474188.db2.gz NQJWXBJMAIFWRN-QWRGUYRKSA-N 3 1 215.341 -0.122 20 0 BBADMP C[C@H]1C[N@@H+](CCOCC[NH3+])CC[C@@H]1C[NH3+] ZINC000923500346 644473580 /nfs/dbraw/zinc/47/35/80/644473580.db2.gz NQJWXBJMAIFWRN-WDEREUQCSA-N 3 1 215.341 -0.122 20 0 BBADMP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923504946 644474877 /nfs/dbraw/zinc/47/48/77/644474877.db2.gz XCAZQWNZWJPSJT-BDAKNGLRSA-N 2 1 242.323 -0.641 20 0 BBADMP CNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923504947 644475736 /nfs/dbraw/zinc/47/57/36/644475736.db2.gz XCAZQWNZWJPSJT-DTWKUNHWSA-N 2 1 242.323 -0.641 20 0 BBADMP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923505048 644474749 /nfs/dbraw/zinc/47/47/49/644474749.db2.gz XCAZQWNZWJPSJT-IUCAKERBSA-N 2 1 242.323 -0.641 20 0 BBADMP CNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923505049 644475852 /nfs/dbraw/zinc/47/58/52/644475852.db2.gz XCAZQWNZWJPSJT-RKDXNWHRSA-N 2 1 242.323 -0.641 20 0 BBADMP C[C@@H]1CN(CC[N@H+]2CCO[C@@H](C)C2)C[C@H]1[NH3+] ZINC000923508278 644478370 /nfs/dbraw/zinc/47/83/70/644478370.db2.gz ITYJCGMUTPCBIU-GRYCIOLGSA-N 2 1 227.352 -0.014 20 0 BBADMP C[C@@H]1CN(CC[N@@H+]2CCO[C@@H](C)C2)C[C@H]1[NH3+] ZINC000923508278 644478368 /nfs/dbraw/zinc/47/83/68/644478368.db2.gz ITYJCGMUTPCBIU-GRYCIOLGSA-N 2 1 227.352 -0.014 20 0 BBADMP C[C@@H]1CN(CC[N@H+]2CCO[C@H](C)C2)C[C@H]1[NH3+] ZINC000923508279 644477424 /nfs/dbraw/zinc/47/74/24/644477424.db2.gz ITYJCGMUTPCBIU-IJLUTSLNSA-N 2 1 227.352 -0.014 20 0 BBADMP C[C@@H]1CN(CC[N@@H+]2CCO[C@H](C)C2)C[C@H]1[NH3+] ZINC000923508279 644477423 /nfs/dbraw/zinc/47/74/23/644477423.db2.gz ITYJCGMUTPCBIU-IJLUTSLNSA-N 2 1 227.352 -0.014 20 0 BBADMP C[C@@H](C[NH+]1CCOCC1)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000923510063 644478300 /nfs/dbraw/zinc/47/83/00/644478300.db2.gz XEOFPEPBUZCDEI-GRYCIOLGSA-N 2 1 227.352 -0.014 20 0 BBADMP C[C@H](C[NH+]1CCOCC1)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000923510064 644478331 /nfs/dbraw/zinc/47/83/31/644478331.db2.gz XEOFPEPBUZCDEI-IJLUTSLNSA-N 2 1 227.352 -0.014 20 0 BBADMP CON1CC[C@@H]([N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)C1=O ZINC000923514987 644478413 /nfs/dbraw/zinc/47/84/13/644478413.db2.gz MOCBLARHONLTFB-OPRDCNLKSA-N 2 1 227.308 -0.325 20 0 BBADMP CON1CC[C@@H]([N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)C1=O ZINC000923514987 644478412 /nfs/dbraw/zinc/47/84/12/644478412.db2.gz MOCBLARHONLTFB-OPRDCNLKSA-N 2 1 227.308 -0.325 20 0 BBADMP CON1CC[C@H]([N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1=O ZINC000923515588 644479798 /nfs/dbraw/zinc/47/97/98/644479798.db2.gz ICDDCANNTICEMY-AXFHLTTASA-N 2 1 239.319 -0.310 20 0 BBADMP CON1CC[C@@H]([N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1=O ZINC000923515589 644481142 /nfs/dbraw/zinc/48/11/42/644481142.db2.gz ICDDCANNTICEMY-HBNTYKKESA-N 2 1 239.319 -0.310 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923516145 644479755 /nfs/dbraw/zinc/47/97/55/644479755.db2.gz XGMRDLQLUPIUEN-GMTAPVOTSA-N 3 1 215.341 -0.517 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923516145 644479739 /nfs/dbraw/zinc/47/97/39/644479739.db2.gz XGMRDLQLUPIUEN-GMTAPVOTSA-N 3 1 215.341 -0.517 20 0 BBADMP CCOC[C@H](O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516210 644479525 /nfs/dbraw/zinc/47/95/25/644479525.db2.gz VDPAXIBIBJRECQ-QJPTWQEYSA-N 2 1 228.336 -0.075 20 0 BBADMP CCOC[C@@H](O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516211 644481473 /nfs/dbraw/zinc/48/14/73/644481473.db2.gz VDPAXIBIBJRECQ-TUAOUCFPSA-N 2 1 228.336 -0.075 20 0 BBADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516216 644480936 /nfs/dbraw/zinc/48/09/36/644480936.db2.gz VGSWOWXCODYHAU-AXFHLTTASA-N 2 1 214.309 -0.465 20 0 BBADMP COC[C@H](O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516217 644479955 /nfs/dbraw/zinc/47/99/55/644479955.db2.gz VGSWOWXCODYHAU-HBNTYKKESA-N 2 1 214.309 -0.465 20 0 BBADMP Cn1nnnc1CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516311 644480915 /nfs/dbraw/zinc/48/09/15/644480915.db2.gz YOYPYMINLQZWIF-VHSXEESVSA-N 2 1 236.323 -0.706 20 0 BBADMP NS(=O)(=O)CCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516333 644480471 /nfs/dbraw/zinc/48/04/71/644480471.db2.gz ZJBPOQOTKFOWPM-VHSXEESVSA-N 2 1 247.364 -0.794 20 0 BBADMP [NH3+]CCOCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516519 644480845 /nfs/dbraw/zinc/48/08/45/644480845.db2.gz IKVMUSJXEJMPMA-WDEREUQCSA-N 3 1 213.325 -0.497 20 0 BBADMP O=C1OCC[C@@H]1[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516538 644480690 /nfs/dbraw/zinc/48/06/90/644480690.db2.gz JJQVBUVYWNELIV-AEJSXWLSSA-N 2 1 210.277 -0.157 20 0 BBADMP O=C1OCC[C@@H]1[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516538 644480687 /nfs/dbraw/zinc/48/06/87/644480687.db2.gz JJQVBUVYWNELIV-AEJSXWLSSA-N 2 1 210.277 -0.157 20 0 BBADMP O=C1OCC[C@H]1[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516539 644479086 /nfs/dbraw/zinc/47/90/86/644479086.db2.gz JJQVBUVYWNELIV-IVZWLZJFSA-N 2 1 210.277 -0.157 20 0 BBADMP O=C1OCC[C@H]1[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516539 644479082 /nfs/dbraw/zinc/47/90/82/644479082.db2.gz JJQVBUVYWNELIV-IVZWLZJFSA-N 2 1 210.277 -0.157 20 0 BBADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516559 644480006 /nfs/dbraw/zinc/48/00/06/644480006.db2.gz JTTFUIAUXJFQMZ-AEJSXWLSSA-N 2 1 211.309 -0.208 20 0 BBADMP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516559 644479996 /nfs/dbraw/zinc/47/99/96/644479996.db2.gz JTTFUIAUXJFQMZ-AEJSXWLSSA-N 2 1 211.309 -0.208 20 0 BBADMP O=C1NCC[C@H]1[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518269 644483538 /nfs/dbraw/zinc/48/35/38/644483538.db2.gz CCHNRVPESVIXCC-IVZWLZJFSA-N 2 1 209.293 -0.584 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518883 644483920 /nfs/dbraw/zinc/48/39/20/644483920.db2.gz FQHQJQATTWXTGU-QJPTWQEYSA-N 3 1 227.352 -0.502 20 0 BBADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518883 644483915 /nfs/dbraw/zinc/48/39/15/644483915.db2.gz FQHQJQATTWXTGU-QJPTWQEYSA-N 3 1 227.352 -0.502 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518885 644482606 /nfs/dbraw/zinc/48/26/06/644482606.db2.gz FQHQJQATTWXTGU-TUAOUCFPSA-N 3 1 227.352 -0.502 20 0 BBADMP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518885 644482602 /nfs/dbraw/zinc/48/26/02/644482602.db2.gz FQHQJQATTWXTGU-TUAOUCFPSA-N 3 1 227.352 -0.502 20 0 BBADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520194 644484112 /nfs/dbraw/zinc/48/41/12/644484112.db2.gz KFUXYUUCQDVIQH-XHNCKOQMSA-N 2 1 240.307 -0.889 20 0 BBADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520194 644484108 /nfs/dbraw/zinc/48/41/08/644484108.db2.gz KFUXYUUCQDVIQH-XHNCKOQMSA-N 2 1 240.307 -0.889 20 0 BBADMP NC(=O)NC(=O)CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520670 644482557 /nfs/dbraw/zinc/48/25/57/644482557.db2.gz SLYHLKAYVPRJKL-DTWKUNHWSA-N 2 1 240.307 -0.887 20 0 BBADMP CN1CC[C@@H]([N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1=O ZINC000923521535 644482181 /nfs/dbraw/zinc/48/21/81/644482181.db2.gz NXLGWLZYLKVZBE-HBNTYKKESA-N 2 1 223.320 -0.242 20 0 BBADMP C([C@H]1CNCCO1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522298 644486581 /nfs/dbraw/zinc/48/65/81/644486581.db2.gz RWUCXNHQPVVLDI-QJPTWQEYSA-N 2 1 225.336 -0.484 20 0 BBADMP C([C@H]1CNCCO1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522298 644486578 /nfs/dbraw/zinc/48/65/78/644486578.db2.gz RWUCXNHQPVVLDI-QJPTWQEYSA-N 2 1 225.336 -0.484 20 0 BBADMP C([C@@H]1CNCCO1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522299 644487357 /nfs/dbraw/zinc/48/73/57/644487357.db2.gz RWUCXNHQPVVLDI-TUAOUCFPSA-N 2 1 225.336 -0.484 20 0 BBADMP C([C@@H]1CNCCO1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522299 644487338 /nfs/dbraw/zinc/48/73/38/644487338.db2.gz RWUCXNHQPVVLDI-TUAOUCFPSA-N 2 1 225.336 -0.484 20 0 BBADMP NC(=O)C12CCC(CC1)[N@H+]2CCOCC[NH3+] ZINC000923530991 644486683 /nfs/dbraw/zinc/48/66/83/644486683.db2.gz KMLDOEPTFWIBRY-UHFFFAOYSA-N 2 1 227.308 -0.556 20 0 BBADMP C[NH2+]CCC[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000923531738 644489325 /nfs/dbraw/zinc/48/93/25/644489325.db2.gz UIFKFSDHTQXNQZ-SECBINFHSA-N 2 1 235.353 -0.794 20 0 BBADMP C[NH2+]CCC[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000923531738 644489323 /nfs/dbraw/zinc/48/93/23/644489323.db2.gz UIFKFSDHTQXNQZ-SECBINFHSA-N 2 1 235.353 -0.794 20 0 BBADMP C[NH2+]CCC[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000923531739 644490267 /nfs/dbraw/zinc/49/02/67/644490267.db2.gz UIFKFSDHTQXNQZ-VIFPVBQESA-N 2 1 235.353 -0.794 20 0 BBADMP C[NH2+]CCC[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000923531739 644490264 /nfs/dbraw/zinc/49/02/64/644490264.db2.gz UIFKFSDHTQXNQZ-VIFPVBQESA-N 2 1 235.353 -0.794 20 0 BBADMP CCO[C@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923531784 644489528 /nfs/dbraw/zinc/48/95/28/644489528.db2.gz WBHFFZMJYDIIAU-NAKRPEOUSA-N 2 1 214.309 -0.052 20 0 BBADMP C[C@@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000923569904 644507289 /nfs/dbraw/zinc/50/72/89/644507289.db2.gz RRHMLODSDHGZSK-NXEZZACHSA-N 2 1 247.364 -0.638 20 0 BBADMP C[C@H]1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000923569905 644507048 /nfs/dbraw/zinc/50/70/48/644507048.db2.gz RRHMLODSDHGZSK-UWVGGRQHSA-N 2 1 247.364 -0.638 20 0 BBADMP C[C@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000923569906 644507262 /nfs/dbraw/zinc/50/72/62/644507262.db2.gz RRHMLODSDHGZSK-VHSXEESVSA-N 2 1 247.364 -0.638 20 0 BBADMP C[C@@H]1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000923569907 644507527 /nfs/dbraw/zinc/50/75/27/644507527.db2.gz RRHMLODSDHGZSK-ZJUUUORDSA-N 2 1 247.364 -0.638 20 0 BBADMP O=S(=O)(C1C[NH2+]C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000923636777 645765958 /nfs/dbraw/zinc/76/59/58/645765958.db2.gz SDHVEONANFANMT-DTORHVGOSA-N 2 1 245.348 -0.886 20 0 BBADMP CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923638270 645775122 /nfs/dbraw/zinc/77/51/22/645775122.db2.gz GLGUPVJLNFNQPI-SECBINFHSA-N 2 1 247.364 -0.638 20 0 BBADMP CCC[C@H]1C[NH2+]CCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923638271 645775265 /nfs/dbraw/zinc/77/52/65/645775265.db2.gz GLGUPVJLNFNQPI-VIFPVBQESA-N 2 1 247.364 -0.638 20 0 BBADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOCCO ZINC000924573431 632935847 /nfs/dbraw/zinc/93/58/47/632935847.db2.gz ZDGBMTPUFJMECO-FOSCPWQOSA-N 2 1 228.336 -0.075 20 0 BBADMP C[N@H+]1C[C@H](O)C[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC000924986552 646149775 /nfs/dbraw/zinc/14/97/75/646149775.db2.gz JDOJKMJQEINEBN-GHMZBOCLSA-N 2 1 241.335 -0.737 20 0 BBADMP C[N@H+]1C[C@@H](O)C[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC000924986553 646150392 /nfs/dbraw/zinc/15/03/92/646150392.db2.gz JDOJKMJQEINEBN-MNOVXSKESA-N 2 1 241.335 -0.737 20 0 BBADMP C[N@H+]1C[C@@H](O)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC000924986554 646150766 /nfs/dbraw/zinc/15/07/66/646150766.db2.gz JDOJKMJQEINEBN-QWRGUYRKSA-N 2 1 241.335 -0.737 20 0 BBADMP C[N@H+]1C[C@H](O)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC000924986555 646149377 /nfs/dbraw/zinc/14/93/77/646149377.db2.gz JDOJKMJQEINEBN-WDEREUQCSA-N 2 1 241.335 -0.737 20 0 BBADMP CC[C@@H](C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1C)[NH+](C)C ZINC000924989278 646151556 /nfs/dbraw/zinc/15/15/56/646151556.db2.gz DOGHPGATOJLBJH-AXFHLTTASA-N 2 1 243.351 -0.492 20 0 BBADMP CC[C@@H](C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1C)[NH+](C)C ZINC000924989280 646153107 /nfs/dbraw/zinc/15/31/07/646153107.db2.gz DOGHPGATOJLBJH-DCAQKATOSA-N 2 1 243.351 -0.492 20 0 BBADMP CC[C@@H](C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1C)[NH+](C)C ZINC000924989283 646152698 /nfs/dbraw/zinc/15/26/98/646152698.db2.gz DOGHPGATOJLBJH-MXWKQRLJSA-N 2 1 243.351 -0.492 20 0 BBADMP CC[C@@H](C(=O)NC[C@H]1C[C@H](O)C[N@H+]1C)[NH+](C)C ZINC000924989285 646151802 /nfs/dbraw/zinc/15/18/02/646151802.db2.gz DOGHPGATOJLBJH-VWYCJHECSA-N 2 1 243.351 -0.492 20 0 BBADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C(C)(C)CO ZINC000924995563 635833777 /nfs/dbraw/zinc/83/37/77/635833777.db2.gz WZOQYWOCPSZSQS-NXEZZACHSA-N 2 1 218.341 -0.095 20 0 BBADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C(C)(C)CO ZINC000924995569 635833799 /nfs/dbraw/zinc/83/37/99/635833799.db2.gz WZOQYWOCPSZSQS-UWVGGRQHSA-N 2 1 218.341 -0.095 20 0 BBADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C(C)(C)CO ZINC000924995572 635834178 /nfs/dbraw/zinc/83/41/78/635834178.db2.gz WZOQYWOCPSZSQS-VHSXEESVSA-N 2 1 218.341 -0.095 20 0 BBADMP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C(C)(C)CO ZINC000924995575 635834036 /nfs/dbraw/zinc/83/40/36/635834036.db2.gz WZOQYWOCPSZSQS-ZJUUUORDSA-N 2 1 218.341 -0.095 20 0 BBADMP C[N@@H+](CCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC000924998409 646155044 /nfs/dbraw/zinc/15/50/44/646155044.db2.gz CFMLATHKEDQXEM-UHFFFAOYSA-N 2 1 241.335 -0.878 20 0 BBADMP C[NH+](C)C1(C(=O)NCC[N@@H+](C)CCO)CCC1 ZINC000924999813 635837541 /nfs/dbraw/zinc/83/75/41/635837541.db2.gz ODVAFMJFSGMUJK-UHFFFAOYSA-N 2 1 243.351 -0.489 20 0 BBADMP C[N@@H+](CCO)CCNC(=O)C[NH+]1CCCC1 ZINC000925004177 635840764 /nfs/dbraw/zinc/84/07/64/635840764.db2.gz ZIQUMDRNHAKEHI-UHFFFAOYSA-N 2 1 229.324 -0.878 20 0 BBADMP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)CCO ZINC000925006413 646156982 /nfs/dbraw/zinc/15/69/82/646156982.db2.gz YSWRIXVMOYWFIA-UHFFFAOYSA-N 2 1 240.307 -0.768 20 0 BBADMP Cc1nccn1CC(=O)NCC[N@@H+](C)CCO ZINC000925006413 646156970 /nfs/dbraw/zinc/15/69/70/646156970.db2.gz YSWRIXVMOYWFIA-UHFFFAOYSA-N 2 1 240.307 -0.768 20 0 BBADMP C[NH+](C)C[C@@H]1NC(=O)N(C[C@H]2CC[N@H+]2C)C1=O ZINC000925198079 636377874 /nfs/dbraw/zinc/37/78/74/636377874.db2.gz YGFXFSOCQQEOTA-BDAKNGLRSA-N 2 1 240.307 -0.828 20 0 BBADMP C[NH+](C)C[C@H]1NC(=O)N(C[C@@H]2CC[N@H+]2C)C1=O ZINC000925198080 636377382 /nfs/dbraw/zinc/37/73/82/636377382.db2.gz YGFXFSOCQQEOTA-DTWKUNHWSA-N 2 1 240.307 -0.828 20 0 BBADMP C[NH+](C)C[C@@H]1NC(=O)N(C[C@@H]2CC[N@H+]2C)C1=O ZINC000925198081 636378409 /nfs/dbraw/zinc/37/84/09/636378409.db2.gz YGFXFSOCQQEOTA-IUCAKERBSA-N 2 1 240.307 -0.828 20 0 BBADMP C[NH+](C)C[C@H]1NC(=O)N(C[C@H]2CC[N@H+]2C)C1=O ZINC000925198082 636378635 /nfs/dbraw/zinc/37/86/35/636378635.db2.gz YGFXFSOCQQEOTA-RKDXNWHRSA-N 2 1 240.307 -0.828 20 0 BBADMP C[N@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CCC1 ZINC000925406770 641637056 /nfs/dbraw/zinc/63/70/56/641637056.db2.gz AFNOBUNFLQLTHA-JTQLQIEISA-N 2 1 226.324 -0.305 20 0 BBADMP C[N@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CCC1 ZINC000925406772 641636455 /nfs/dbraw/zinc/63/64/55/641636455.db2.gz AFNOBUNFLQLTHA-SNVBAGLBSA-N 2 1 226.324 -0.305 20 0 BBADMP CN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925411954 646269112 /nfs/dbraw/zinc/26/91/12/646269112.db2.gz SAJBECKCVAYKLI-JTQLQIEISA-N 2 1 228.340 -0.107 20 0 BBADMP CN(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+]1C ZINC000925411955 646266016 /nfs/dbraw/zinc/26/60/16/646266016.db2.gz SAJBECKCVAYKLI-SNVBAGLBSA-N 2 1 228.340 -0.107 20 0 BBADMP C[NH+](C)CCNC(=O)NC[C@H]1CC[N@H+]1C ZINC000925415958 646266853 /nfs/dbraw/zinc/26/68/53/646266853.db2.gz BGCNIFCTKLZSPP-SECBINFHSA-N 2 1 214.313 -0.449 20 0 BBADMP C[NH+](C)CCNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000925415960 646267076 /nfs/dbraw/zinc/26/70/76/646267076.db2.gz BGCNIFCTKLZSPP-VIFPVBQESA-N 2 1 214.313 -0.449 20 0 BBADMP CN1CC[C@@H]1CNC(=O)N[C@@H]1Cc2cncn2C1 ZINC000925429210 646278116 /nfs/dbraw/zinc/27/81/16/646278116.db2.gz ODDXLZBQWBXQHF-NXEZZACHSA-N 2 1 249.318 -0.189 20 0 BBADMP C[N@H+]1CC[C@@H]1CNC(=O)N[C@@H]1Cc2cncn2C1 ZINC000925429210 646278109 /nfs/dbraw/zinc/27/81/09/646278109.db2.gz ODDXLZBQWBXQHF-NXEZZACHSA-N 2 1 249.318 -0.189 20 0 BBADMP CN1CC[C@H]1CNC(=O)N[C@H]1Cc2cncn2C1 ZINC000925429211 646279533 /nfs/dbraw/zinc/27/95/33/646279533.db2.gz ODDXLZBQWBXQHF-UWVGGRQHSA-N 2 1 249.318 -0.189 20 0 BBADMP C[N@H+]1CC[C@H]1CNC(=O)N[C@H]1Cc2cncn2C1 ZINC000925429211 646279527 /nfs/dbraw/zinc/27/95/27/646279527.db2.gz ODDXLZBQWBXQHF-UWVGGRQHSA-N 2 1 249.318 -0.189 20 0 BBADMP CN1CC[C@@H]1CNC(=O)N[C@H]1Cc2cncn2C1 ZINC000925429212 646280148 /nfs/dbraw/zinc/28/01/48/646280148.db2.gz ODDXLZBQWBXQHF-VHSXEESVSA-N 2 1 249.318 -0.189 20 0 BBADMP C[N@H+]1CC[C@@H]1CNC(=O)N[C@H]1Cc2cncn2C1 ZINC000925429212 646280144 /nfs/dbraw/zinc/28/01/44/646280144.db2.gz ODDXLZBQWBXQHF-VHSXEESVSA-N 2 1 249.318 -0.189 20 0 BBADMP CN1CC[C@H]1CNC(=O)N[C@@H]1Cc2cncn2C1 ZINC000925429213 646278798 /nfs/dbraw/zinc/27/87/98/646278798.db2.gz ODDXLZBQWBXQHF-ZJUUUORDSA-N 2 1 249.318 -0.189 20 0 BBADMP C[N@H+]1CC[C@H]1CNC(=O)N[C@@H]1Cc2cncn2C1 ZINC000925429213 646278793 /nfs/dbraw/zinc/27/87/93/646278793.db2.gz ODDXLZBQWBXQHF-ZJUUUORDSA-N 2 1 249.318 -0.189 20 0 BBADMP CN(CC1C[NH+](C)C1)C(=O)NC[C@H]1CC[N@H+]1C ZINC000925433096 641999746 /nfs/dbraw/zinc/99/97/46/641999746.db2.gz BPHMEDVJYCTDQD-LLVKDONJSA-N 2 1 240.351 -0.107 20 0 BBADMP CC[N@H+]1CC[C@H](CN[C@H]2C[NH2+]CCOC2)C1 ZINC000925476548 646290513 /nfs/dbraw/zinc/29/05/13/646290513.db2.gz PBFORJJCDQVQSH-NEPJUHHUSA-N 2 1 227.352 -0.094 20 0 BBADMP CC[N@H+]1CC[C@@H](CN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925476550 646289867 /nfs/dbraw/zinc/28/98/67/646289867.db2.gz PBFORJJCDQVQSH-NWDGAFQWSA-N 2 1 227.352 -0.094 20 0 BBADMP CC[N@H+]1CC[C@@H](CN[C@H]2C[NH2+]CCOC2)C1 ZINC000925476551 646290353 /nfs/dbraw/zinc/29/03/53/646290353.db2.gz PBFORJJCDQVQSH-RYUDHWBXSA-N 2 1 227.352 -0.094 20 0 BBADMP CC[N@H+]1CC[C@H](CN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925476553 646289225 /nfs/dbraw/zinc/28/92/25/646289225.db2.gz PBFORJJCDQVQSH-VXGBXAGGSA-N 2 1 227.352 -0.094 20 0 BBADMP C(C[NH+]1CCSCC1)N[C@@H]1C[NH2+]CCOC1 ZINC000925483176 646295449 /nfs/dbraw/zinc/29/54/49/646295449.db2.gz QRAKKHWQHDYGIO-LLVKDONJSA-N 2 1 245.392 -0.387 20 0 BBADMP C(C[NH+]1CCSCC1)N[C@H]1C[NH2+]CCOC1 ZINC000925483177 646294680 /nfs/dbraw/zinc/29/46/80/646294680.db2.gz QRAKKHWQHDYGIO-NSHDSACASA-N 2 1 245.392 -0.387 20 0 BBADMP C[NH+]1CCC(CN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925491318 646299622 /nfs/dbraw/zinc/29/96/22/646299622.db2.gz DVZMDBAIOOHRON-GFCCVEGCSA-N 2 1 227.352 -0.094 20 0 BBADMP C[NH+]1CCC(CN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925491322 646299119 /nfs/dbraw/zinc/29/91/19/646299119.db2.gz DVZMDBAIOOHRON-LBPRGKRZSA-N 2 1 227.352 -0.094 20 0 BBADMP COCCC[N@@H+](C)CCN[C@@H]1C[NH2+]CCOC1 ZINC000925513794 633855640 /nfs/dbraw/zinc/85/56/40/633855640.db2.gz BJZHZJBSCNSDLO-GFCCVEGCSA-N 2 1 245.367 -0.467 20 0 BBADMP COCCC[N@@H+](C)CCN[C@H]1C[NH2+]CCOC1 ZINC000925513796 633855417 /nfs/dbraw/zinc/85/54/17/633855417.db2.gz BJZHZJBSCNSDLO-LBPRGKRZSA-N 2 1 245.367 -0.467 20 0 BBADMP C[NH+](C)CCCCN[C@@H]1C[NH2+]CCOC1 ZINC000925520717 646312426 /nfs/dbraw/zinc/31/24/26/646312426.db2.gz MWQXOBDPCHVFNE-LLVKDONJSA-N 2 1 215.341 -0.094 20 0 BBADMP C[NH+](C)CCCCN[C@H]1C[NH2+]CCOC1 ZINC000925520719 646312472 /nfs/dbraw/zinc/31/24/72/646312472.db2.gz MWQXOBDPCHVFNE-NSHDSACASA-N 2 1 215.341 -0.094 20 0 BBADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCNS(C)(=O)=O ZINC000925521233 633886690 /nfs/dbraw/zinc/88/66/90/633886690.db2.gz YUMFCKONUOCDJY-SECBINFHSA-N 2 1 249.380 -0.344 20 0 BBADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCNS(C)(=O)=O ZINC000925521243 633887346 /nfs/dbraw/zinc/88/73/46/633887346.db2.gz YUMFCKONUOCDJY-VIFPVBQESA-N 2 1 249.380 -0.344 20 0 BBADMP COCC[N@@H+](C)CCCN[C@@H]1C[NH2+]CCOC1 ZINC000925541580 646325554 /nfs/dbraw/zinc/32/55/54/646325554.db2.gz BXZKSXYATTXRHT-GFCCVEGCSA-N 2 1 245.367 -0.467 20 0 BBADMP COCC[N@@H+](C)CCCN[C@H]1C[NH2+]CCOC1 ZINC000925541581 646322338 /nfs/dbraw/zinc/32/23/38/646322338.db2.gz BXZKSXYATTXRHT-LBPRGKRZSA-N 2 1 245.367 -0.467 20 0 BBADMP CC(C)[N@@H+](C)CCN[C@@H]1C[NH2+]CCOC1 ZINC000925554569 646330879 /nfs/dbraw/zinc/33/08/79/646330879.db2.gz ABFNKBHZUUNWPV-LLVKDONJSA-N 2 1 215.341 -0.095 20 0 BBADMP CC(C)[N@@H+](C)CCN[C@H]1C[NH2+]CCOC1 ZINC000925554570 646330779 /nfs/dbraw/zinc/33/07/79/646330779.db2.gz ABFNKBHZUUNWPV-NSHDSACASA-N 2 1 215.341 -0.095 20 0 BBADMP C[N@H+]1CCC[C@H](CN[C@H]2C[NH2+]CCOC2)C1 ZINC000925555618 646332221 /nfs/dbraw/zinc/33/22/21/646332221.db2.gz HUTDMYFMGVKASK-NEPJUHHUSA-N 2 1 227.352 -0.094 20 0 BBADMP C[N@H+]1CCC[C@@H](CN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925555621 646331255 /nfs/dbraw/zinc/33/12/55/646331255.db2.gz HUTDMYFMGVKASK-NWDGAFQWSA-N 2 1 227.352 -0.094 20 0 BBADMP C[N@H+]1CCC[C@@H](CN[C@H]2C[NH2+]CCOC2)C1 ZINC000925555622 646330687 /nfs/dbraw/zinc/33/06/87/646330687.db2.gz HUTDMYFMGVKASK-RYUDHWBXSA-N 2 1 227.352 -0.094 20 0 BBADMP C[N@H+]1CCC[C@H](CN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925555624 646331636 /nfs/dbraw/zinc/33/16/36/646331636.db2.gz HUTDMYFMGVKASK-VXGBXAGGSA-N 2 1 227.352 -0.094 20 0 BBADMP COCC[N@H+]1CC[C@@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925559510 646333136 /nfs/dbraw/zinc/33/31/36/646333136.db2.gz YWXRZKFKHQNXOZ-NEPJUHHUSA-N 2 1 243.351 -0.715 20 0 BBADMP COCC[N@H+]1CC[C@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925559511 646333772 /nfs/dbraw/zinc/33/37/72/646333772.db2.gz YWXRZKFKHQNXOZ-NWDGAFQWSA-N 2 1 243.351 -0.715 20 0 BBADMP COCC[N@H+]1CC[C@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925559512 646334079 /nfs/dbraw/zinc/33/40/79/646334079.db2.gz YWXRZKFKHQNXOZ-RYUDHWBXSA-N 2 1 243.351 -0.715 20 0 BBADMP COCC[N@H+]1CC[C@@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925559513 646333611 /nfs/dbraw/zinc/33/36/11/646333611.db2.gz YWXRZKFKHQNXOZ-VXGBXAGGSA-N 2 1 243.351 -0.715 20 0 BBADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925563459 646335224 /nfs/dbraw/zinc/33/52/24/646335224.db2.gz BYXGNTBQGUQBIE-GHMZBOCLSA-N 2 1 213.325 -0.341 20 0 BBADMP C[N@H+]1CCC[C@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925563460 646335931 /nfs/dbraw/zinc/33/59/31/646335931.db2.gz BYXGNTBQGUQBIE-MNOVXSKESA-N 2 1 213.325 -0.341 20 0 BBADMP C[N@H+]1CCC[C@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925563462 646335583 /nfs/dbraw/zinc/33/55/83/646335583.db2.gz BYXGNTBQGUQBIE-QWRGUYRKSA-N 2 1 213.325 -0.341 20 0 BBADMP C[N@H+]1CCC[C@@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925563463 646336415 /nfs/dbraw/zinc/33/64/15/646336415.db2.gz BYXGNTBQGUQBIE-WDEREUQCSA-N 2 1 213.325 -0.341 20 0 BBADMP CN1CC[N@@H+](C)C[C@H]1CN[C@H]1CC[NH2+]C1(C)C ZINC000925576343 646342565 /nfs/dbraw/zinc/34/25/65/646342565.db2.gz XOKBXPCRXAGZLN-NEPJUHHUSA-N 2 1 240.395 -0.038 20 0 BBADMP CN1CC[N@@H+](C)C[C@@H]1CN[C@@H]1CC[NH2+]C1(C)C ZINC000925576344 646342585 /nfs/dbraw/zinc/34/25/85/646342585.db2.gz XOKBXPCRXAGZLN-NWDGAFQWSA-N 2 1 240.395 -0.038 20 0 BBADMP CN1CC[N@@H+](C)C[C@@H]1CN[C@H]1CC[NH2+]C1(C)C ZINC000925576347 646342230 /nfs/dbraw/zinc/34/22/30/646342230.db2.gz XOKBXPCRXAGZLN-RYUDHWBXSA-N 2 1 240.395 -0.038 20 0 BBADMP CN1CC[N@@H+](C)C[C@H]1CN[C@@H]1CC[NH2+]C1(C)C ZINC000925576350 646342516 /nfs/dbraw/zinc/34/25/16/646342516.db2.gz XOKBXPCRXAGZLN-VXGBXAGGSA-N 2 1 240.395 -0.038 20 0 BBADMP COCC[N@@H+](C)CCN[C@@H]1C[NH2+]CCOC1 ZINC000925577922 646343343 /nfs/dbraw/zinc/34/33/43/646343343.db2.gz RJSVCISRPLLWFU-LLVKDONJSA-N 2 1 231.340 -0.857 20 0 BBADMP COCC[N@@H+](C)CCN[C@H]1C[NH2+]CCOC1 ZINC000925577923 646344800 /nfs/dbraw/zinc/34/48/00/646344800.db2.gz RJSVCISRPLLWFU-NSHDSACASA-N 2 1 231.340 -0.857 20 0 BBADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(CO)COC1 ZINC000925586576 646346860 /nfs/dbraw/zinc/34/68/60/646346860.db2.gz UAHYYTWQTRGCGB-FOSCPWQOSA-N 2 1 240.347 -0.075 20 0 BBADMP C[C@H](N[C@@H]1C[NH2+]CCOC1)[C@H]1C[N@@H+](C)CCO1 ZINC000925615988 646364272 /nfs/dbraw/zinc/36/42/72/646364272.db2.gz JPBHNSBCPGFPAO-QJPTWQEYSA-N 2 1 243.351 -0.717 20 0 BBADMP C[C@H](N[C@@H]1C[NH2+]CCOC1)[C@H]1C[N@H+](C)CCO1 ZINC000925615988 646364264 /nfs/dbraw/zinc/36/42/64/646364264.db2.gz JPBHNSBCPGFPAO-QJPTWQEYSA-N 2 1 243.351 -0.717 20 0 BBADMP C[C@H](N[C@H]1C[NH2+]CCOC1)[C@H]1C[N@@H+](C)CCO1 ZINC000925615990 646365589 /nfs/dbraw/zinc/36/55/89/646365589.db2.gz JPBHNSBCPGFPAO-SDDRHHMPSA-N 2 1 243.351 -0.717 20 0 BBADMP C[C@H](N[C@H]1C[NH2+]CCOC1)[C@H]1C[N@H+](C)CCO1 ZINC000925615990 646365584 /nfs/dbraw/zinc/36/55/84/646365584.db2.gz JPBHNSBCPGFPAO-SDDRHHMPSA-N 2 1 243.351 -0.717 20 0 BBADMP C[C@H](N[C@H]1C[NH2+]CCOC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000925615991 646364403 /nfs/dbraw/zinc/36/44/03/646364403.db2.gz JPBHNSBCPGFPAO-SRVKXCTJSA-N 2 1 243.351 -0.717 20 0 BBADMP C[C@H](N[C@H]1C[NH2+]CCOC1)[C@@H]1C[N@H+](C)CCO1 ZINC000925615991 646364399 /nfs/dbraw/zinc/36/43/99/646364399.db2.gz JPBHNSBCPGFPAO-SRVKXCTJSA-N 2 1 243.351 -0.717 20 0 BBADMP C[C@H](N[C@@H]1C[NH2+]CCOC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000925615992 646365151 /nfs/dbraw/zinc/36/51/51/646365151.db2.gz JPBHNSBCPGFPAO-TUAOUCFPSA-N 2 1 243.351 -0.717 20 0 BBADMP C[C@H](N[C@@H]1C[NH2+]CCOC1)[C@@H]1C[N@H+](C)CCO1 ZINC000925615992 646365147 /nfs/dbraw/zinc/36/51/47/646365147.db2.gz JPBHNSBCPGFPAO-TUAOUCFPSA-N 2 1 243.351 -0.717 20 0 BBADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CNCCOC2)CC1 ZINC000925635820 634186762 /nfs/dbraw/zinc/18/67/62/634186762.db2.gz PERFJRILJYCEJX-GFCCVEGCSA-N 2 1 225.336 -0.174 20 0 BBADMP C[N@H+]1CC=C(C[NH2+][C@@H]2CNCCOC2)CC1 ZINC000925635820 634186756 /nfs/dbraw/zinc/18/67/56/634186756.db2.gz PERFJRILJYCEJX-GFCCVEGCSA-N 2 1 225.336 -0.174 20 0 BBADMP C[N@@H+]1CC=C(CN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925635820 634186748 /nfs/dbraw/zinc/18/67/48/634186748.db2.gz PERFJRILJYCEJX-GFCCVEGCSA-N 2 1 225.336 -0.174 20 0 BBADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CNCCOC2)CC1 ZINC000925635824 634186832 /nfs/dbraw/zinc/18/68/32/634186832.db2.gz PERFJRILJYCEJX-LBPRGKRZSA-N 2 1 225.336 -0.174 20 0 BBADMP C[N@H+]1CC=C(C[NH2+][C@H]2CNCCOC2)CC1 ZINC000925635824 634186828 /nfs/dbraw/zinc/18/68/28/634186828.db2.gz PERFJRILJYCEJX-LBPRGKRZSA-N 2 1 225.336 -0.174 20 0 BBADMP C[N@@H+]1CC=C(CN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925635824 634186825 /nfs/dbraw/zinc/18/68/25/634186825.db2.gz PERFJRILJYCEJX-LBPRGKRZSA-N 2 1 225.336 -0.174 20 0 BBADMP C[N@H+]1CC[C@@](O)(CN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925638645 646382117 /nfs/dbraw/zinc/38/21/17/646382117.db2.gz DQTSUXLFGGHUPR-CMPLNLGQSA-N 2 1 227.352 -0.217 20 0 BBADMP C[N@H+]1CC[C@](O)(CN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925638648 646381480 /nfs/dbraw/zinc/38/14/80/646381480.db2.gz DQTSUXLFGGHUPR-JQWIXIFHSA-N 2 1 227.352 -0.217 20 0 BBADMP C[N@H+]1CC[C@](O)(CN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925638650 646382708 /nfs/dbraw/zinc/38/27/08/646382708.db2.gz DQTSUXLFGGHUPR-PWSUYJOCSA-N 2 1 227.352 -0.217 20 0 BBADMP C[N@H+]1CC[C@@](O)(CN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925638653 646383327 /nfs/dbraw/zinc/38/33/27/646383327.db2.gz DQTSUXLFGGHUPR-ZYHUDNBSSA-N 2 1 227.352 -0.217 20 0 BBADMP C[N@H+]1CC[C@](O)(CN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925640446 646383368 /nfs/dbraw/zinc/38/33/68/646383368.db2.gz SVKQHFIUCLQGCC-NEPJUHHUSA-N 2 1 239.363 -0.073 20 0 BBADMP C[N@H+]1CC[C@@](O)(CN[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925640448 646382618 /nfs/dbraw/zinc/38/26/18/646382618.db2.gz SVKQHFIUCLQGCC-NWDGAFQWSA-N 2 1 239.363 -0.073 20 0 BBADMP C[N@H+]1CC[C@](O)(CN[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925640450 646382018 /nfs/dbraw/zinc/38/20/18/646382018.db2.gz SVKQHFIUCLQGCC-RYUDHWBXSA-N 2 1 239.363 -0.073 20 0 BBADMP C[N@H+]1CC[C@@](O)(CN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925640452 646382988 /nfs/dbraw/zinc/38/29/88/646382988.db2.gz SVKQHFIUCLQGCC-VXGBXAGGSA-N 2 1 239.363 -0.073 20 0 BBADMP Cn1c[nH+]cc1CCN[C@H]1C[NH2+]CCOC1 ZINC000925647431 646387979 /nfs/dbraw/zinc/38/79/79/646387979.db2.gz YPWUFVNQNFHSEY-JTQLQIEISA-N 2 1 224.308 -0.459 20 0 BBADMP Cn1c[nH+]cc1CCN[C@@H]1C[NH2+]CCOC1 ZINC000925647436 646387799 /nfs/dbraw/zinc/38/77/99/646387799.db2.gz YPWUFVNQNFHSEY-SNVBAGLBSA-N 2 1 224.308 -0.459 20 0 BBADMP C[NH+](C)CCOCC[NH2+][C@@H]1CNCCOC1 ZINC000925648841 646389484 /nfs/dbraw/zinc/38/94/84/646389484.db2.gz GVAILWMOASWJCW-LLVKDONJSA-N 2 1 231.340 -0.857 20 0 BBADMP C[NH+](C)CCOCC[NH2+][C@H]1CNCCOC1 ZINC000925648842 646388975 /nfs/dbraw/zinc/38/89/75/646388975.db2.gz GVAILWMOASWJCW-NSHDSACASA-N 2 1 231.340 -0.857 20 0 BBADMP C1=CC[N@@H+](CCN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925663787 634232857 /nfs/dbraw/zinc/23/28/57/634232857.db2.gz WEMZUXLOBWANSS-GFCCVEGCSA-N 2 1 225.336 -0.174 20 0 BBADMP C1=CC[N@@H+](CCN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925663788 634233129 /nfs/dbraw/zinc/23/31/29/634233129.db2.gz WEMZUXLOBWANSS-LBPRGKRZSA-N 2 1 225.336 -0.174 20 0 BBADMP COC[C@@H](O)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925665710 634238304 /nfs/dbraw/zinc/23/83/04/634238304.db2.gz IBCKKCMBTCXGJI-DCHHYWPUSA-N 2 1 226.320 -0.420 20 0 BBADMP COC[C@@H](O)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925665711 634237590 /nfs/dbraw/zinc/23/75/90/634237590.db2.gz IBCKKCMBTCXGJI-KTWSDMTRSA-N 2 1 226.320 -0.420 20 0 BBADMP COC[C@@H](O)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925665712 634237987 /nfs/dbraw/zinc/23/79/87/634237987.db2.gz IBCKKCMBTCXGJI-KUYXLPFXSA-N 2 1 226.320 -0.420 20 0 BBADMP COC[C@@H](O)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925666301 634239524 /nfs/dbraw/zinc/23/95/24/634239524.db2.gz LHODRTUDSRXSHF-GUBZILKMSA-N 2 1 202.298 -0.276 20 0 BBADMP COC[C@@H](O)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925666302 634240273 /nfs/dbraw/zinc/24/02/73/634240273.db2.gz LHODRTUDSRXSHF-KXUCPTDWSA-N 2 1 202.298 -0.276 20 0 BBADMP COC[C@@H](O)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925666303 634241377 /nfs/dbraw/zinc/24/13/77/634241377.db2.gz LHODRTUDSRXSHF-LPEHRKFASA-N 2 1 202.298 -0.276 20 0 BBADMP COC[C@@H](O)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925666304 634241099 /nfs/dbraw/zinc/24/10/99/634241099.db2.gz LHODRTUDSRXSHF-UTLUCORTSA-N 2 1 202.298 -0.276 20 0 BBADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000925685259 646411414 /nfs/dbraw/zinc/41/14/14/646411414.db2.gz GWIZPSLIZOIPET-NXEZZACHSA-N 2 1 239.323 -0.631 20 0 BBADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H](O)Cn1ccnn1 ZINC000925685260 646410660 /nfs/dbraw/zinc/41/06/60/646410660.db2.gz GWIZPSLIZOIPET-UWVGGRQHSA-N 2 1 239.323 -0.631 20 0 BBADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H](O)Cn1ccnn1 ZINC000925685261 646411315 /nfs/dbraw/zinc/41/13/15/646411315.db2.gz GWIZPSLIZOIPET-VHSXEESVSA-N 2 1 239.323 -0.631 20 0 BBADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000925685262 646411827 /nfs/dbraw/zinc/41/18/27/646411827.db2.gz GWIZPSLIZOIPET-ZJUUUORDSA-N 2 1 239.323 -0.631 20 0 BBADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000925686197 646413073 /nfs/dbraw/zinc/41/30/73/646413073.db2.gz QWLXECDERYXGSB-AXFHLTTASA-N 2 1 239.323 -0.631 20 0 BBADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H](O)Cn1ccnn1 ZINC000925686198 646412890 /nfs/dbraw/zinc/41/28/90/646412890.db2.gz QWLXECDERYXGSB-DCAQKATOSA-N 2 1 239.323 -0.631 20 0 BBADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H](O)Cn1ccnn1 ZINC000925686199 646413318 /nfs/dbraw/zinc/41/33/18/646413318.db2.gz QWLXECDERYXGSB-GARJFASQSA-N 2 1 239.323 -0.631 20 0 BBADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000925686200 646413010 /nfs/dbraw/zinc/41/30/10/646413010.db2.gz QWLXECDERYXGSB-HBNTYKKESA-N 2 1 239.323 -0.631 20 0 BBADMP C[C@H]1NCCC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000925687781 634304143 /nfs/dbraw/zinc/30/41/43/634304143.db2.gz BBVWPVNMBVLCLD-NEPJUHHUSA-N 2 1 226.368 -0.378 20 0 BBADMP C[C@@H]1NCCC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000925687782 634304483 /nfs/dbraw/zinc/30/44/83/634304483.db2.gz BBVWPVNMBVLCLD-NWDGAFQWSA-N 2 1 226.368 -0.378 20 0 BBADMP C[C@@H]1NCCC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000925687783 634304038 /nfs/dbraw/zinc/30/40/38/634304038.db2.gz BBVWPVNMBVLCLD-RYUDHWBXSA-N 2 1 226.368 -0.378 20 0 BBADMP C[C@H]1NCCC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000925687784 634303768 /nfs/dbraw/zinc/30/37/68/634303768.db2.gz BBVWPVNMBVLCLD-VXGBXAGGSA-N 2 1 226.368 -0.378 20 0 BBADMP C(N[C@@H]1C[NH2+]CCOC1)C1CC[NH2+]CC1 ZINC000925690371 646411777 /nfs/dbraw/zinc/41/17/77/646411777.db2.gz JFVKDSCBGQLUBX-LLVKDONJSA-N 2 1 213.325 -0.436 20 0 BBADMP C(N[C@H]1C[NH2+]CCOC1)C1CC[NH2+]CC1 ZINC000925690372 646411274 /nfs/dbraw/zinc/41/12/74/646411274.db2.gz JFVKDSCBGQLUBX-NSHDSACASA-N 2 1 213.325 -0.436 20 0 BBADMP [NH3+][C@@H]1C[C@H](NCCN2CC[NH2+]CC2)C12CCC2 ZINC000925695056 646419932 /nfs/dbraw/zinc/41/99/32/646419932.db2.gz VVXAFXHPFUNICO-NEPJUHHUSA-N 2 1 238.379 -0.249 20 0 BBADMP [NH3+][C@H]1C[C@@H](NCCN2CC[NH2+]CC2)C12CCC2 ZINC000925695058 646420701 /nfs/dbraw/zinc/42/07/01/646420701.db2.gz VVXAFXHPFUNICO-NWDGAFQWSA-N 2 1 238.379 -0.249 20 0 BBADMP [NH3+][C@H]1C[C@H](NCCN2CC[NH2+]CC2)C12CCC2 ZINC000925695061 646419534 /nfs/dbraw/zinc/41/95/34/646419534.db2.gz VVXAFXHPFUNICO-RYUDHWBXSA-N 2 1 238.379 -0.249 20 0 BBADMP [NH3+][C@@H]1C[C@@H](NCCN2CC[NH2+]CC2)C12CCC2 ZINC000925695063 646420320 /nfs/dbraw/zinc/42/03/20/646420320.db2.gz VVXAFXHPFUNICO-VXGBXAGGSA-N 2 1 238.379 -0.249 20 0 BBADMP [NH3+]C1CCC(N[C@H]2C[NH2+]CCOC2)CC1 ZINC000925695240 634346185 /nfs/dbraw/zinc/34/61/85/634346185.db2.gz UUMWHWGGUKQILB-ILDUYXDCSA-N 2 1 213.325 -0.166 20 0 BBADMP [NH3+]C1CCC(N[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925695242 634345646 /nfs/dbraw/zinc/34/56/46/634345646.db2.gz UUMWHWGGUKQILB-VQXHTEKXSA-N 2 1 213.325 -0.166 20 0 BBADMP C(C[C@H]1CC[NH2+]C1)N[C@@H]1C[NH2+]CCOC1 ZINC000925695321 646420363 /nfs/dbraw/zinc/42/03/63/646420363.db2.gz VSNMTEUABLVWIZ-GHMZBOCLSA-N 2 1 213.325 -0.436 20 0 BBADMP C(C[C@H]1CC[NH2+]C1)N[C@H]1C[NH2+]CCOC1 ZINC000925695323 646419458 /nfs/dbraw/zinc/41/94/58/646419458.db2.gz VSNMTEUABLVWIZ-MNOVXSKESA-N 2 1 213.325 -0.436 20 0 BBADMP C(C[C@@H]1CC[NH2+]C1)N[C@H]1C[NH2+]CCOC1 ZINC000925695326 646420709 /nfs/dbraw/zinc/42/07/09/646420709.db2.gz VSNMTEUABLVWIZ-QWRGUYRKSA-N 2 1 213.325 -0.436 20 0 BBADMP C(C[C@@H]1CC[NH2+]C1)N[C@@H]1C[NH2+]CCOC1 ZINC000925695327 646403075 /nfs/dbraw/zinc/40/30/75/646403075.db2.gz VSNMTEUABLVWIZ-WDEREUQCSA-N 2 1 213.325 -0.436 20 0 BBADMP CC1(CN[C@@H]2C[NH2+]CCOC2)CC[NH2+]CC1 ZINC000925698106 646423676 /nfs/dbraw/zinc/42/36/76/646423676.db2.gz JBGPGXJMDHMXKX-LLVKDONJSA-N 2 1 227.352 -0.046 20 0 BBADMP CC1(CN[C@H]2C[NH2+]CCOC2)CC[NH2+]CC1 ZINC000925698107 646422964 /nfs/dbraw/zinc/42/29/64/646422964.db2.gz JBGPGXJMDHMXKX-NSHDSACASA-N 2 1 227.352 -0.046 20 0 BBADMP [NH3+]CC(F)(F)CN[C@@H]1C[NH2+]CCOC1 ZINC000925699711 646423191 /nfs/dbraw/zinc/42/31/91/646423191.db2.gz PWIBHPUYYJWWFK-SSDOTTSWSA-N 2 1 209.240 -0.842 20 0 BBADMP [NH3+]CC(F)(F)CN[C@H]1C[NH2+]CCOC1 ZINC000925699712 646422947 /nfs/dbraw/zinc/42/29/47/646422947.db2.gz PWIBHPUYYJWWFK-ZETCQYMHSA-N 2 1 209.240 -0.842 20 0 BBADMP C1=C(C[NH2+][C@@H]2CNCCOC2)CC[NH2+]C1 ZINC000925700586 634370843 /nfs/dbraw/zinc/37/08/43/634370843.db2.gz VFPSGCYKDDZDMB-LLVKDONJSA-N 2 1 211.309 -0.516 20 0 BBADMP C1=C(C[NH2+][C@H]2CNCCOC2)CC[NH2+]C1 ZINC000925700587 634370040 /nfs/dbraw/zinc/37/00/40/634370040.db2.gz VFPSGCYKDDZDMB-NSHDSACASA-N 2 1 211.309 -0.516 20 0 BBADMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000925701759 646424800 /nfs/dbraw/zinc/42/48/00/646424800.db2.gz FASOGIZZWFLBTB-HRDYMLBCSA-N 2 1 211.309 -0.020 20 0 BBADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000925701760 646425316 /nfs/dbraw/zinc/42/53/16/646425316.db2.gz FASOGIZZWFLBTB-YIZRAAEISA-N 2 1 211.309 -0.020 20 0 BBADMP C(CC1CC[NH2+]CC1)N[C@@H]1C[NH2+]CCOC1 ZINC000925701766 646424618 /nfs/dbraw/zinc/42/46/18/646424618.db2.gz FCQCBVVOBNXPEJ-GFCCVEGCSA-N 2 1 227.352 -0.046 20 0 BBADMP C(CC1CC[NH2+]CC1)N[C@H]1C[NH2+]CCOC1 ZINC000925701767 646425507 /nfs/dbraw/zinc/42/55/07/646425507.db2.gz FCQCBVVOBNXPEJ-LBPRGKRZSA-N 2 1 227.352 -0.046 20 0 BBADMP [NH3+]CC1(CCN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925702088 646427407 /nfs/dbraw/zinc/42/74/07/646427407.db2.gz KUBQICOOGNQHAR-JTQLQIEISA-N 3 1 213.325 -0.307 20 0 BBADMP [NH3+]CC1(CCN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925702089 646426454 /nfs/dbraw/zinc/42/64/54/646426454.db2.gz KUBQICOOGNQHAR-SNVBAGLBSA-N 3 1 213.325 -0.307 20 0 BBADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000925703442 634380582 /nfs/dbraw/zinc/38/05/82/634380582.db2.gz UZDMCYABUINAFV-AXTSPUMRSA-N 2 1 211.309 -0.020 20 0 BBADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000925703443 634382489 /nfs/dbraw/zinc/38/24/89/634382489.db2.gz UZDMCYABUINAFV-DOLQZWNJSA-N 2 1 211.309 -0.020 20 0 BBADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000925703444 634381906 /nfs/dbraw/zinc/38/19/06/634381906.db2.gz UZDMCYABUINAFV-IMSYWVGJSA-N 2 1 211.309 -0.020 20 0 BBADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000925703445 634381151 /nfs/dbraw/zinc/38/11/51/634381151.db2.gz UZDMCYABUINAFV-QEYWKRMJSA-N 2 1 211.309 -0.020 20 0 BBADMP C[NH+](C)[C@H]1C[C@@H](CN[C@H]2C[NH2+]CCOC2)C1 ZINC000925704663 646428463 /nfs/dbraw/zinc/42/84/63/646428463.db2.gz ZXIFEBNQHFXBBF-SDDRHHMPSA-N 2 1 227.352 -0.095 20 0 BBADMP C[NH+](C)[C@H]1C[C@@H](CN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925704664 634384097 /nfs/dbraw/zinc/38/40/97/634384097.db2.gz ZXIFEBNQHFXBBF-UTUOFQBUSA-N 2 1 227.352 -0.095 20 0 BBADMP C1[C@@H]([NH2+][C@@H]2CNCCOC2)C12CC[NH2+]CC2 ZINC000925705153 634385712 /nfs/dbraw/zinc/38/57/12/634385712.db2.gz IACBXXZDFFFSGC-GHMZBOCLSA-N 2 1 225.336 -0.294 20 0 BBADMP C1[C@H]([NH2+][C@@H]2CNCCOC2)C12CC[NH2+]CC2 ZINC000925705154 634385433 /nfs/dbraw/zinc/38/54/33/634385433.db2.gz IACBXXZDFFFSGC-MNOVXSKESA-N 2 1 225.336 -0.294 20 0 BBADMP C1[C@H]([NH2+][C@H]2CNCCOC2)C12CC[NH2+]CC2 ZINC000925705155 634386862 /nfs/dbraw/zinc/38/68/62/634386862.db2.gz IACBXXZDFFFSGC-QWRGUYRKSA-N 2 1 225.336 -0.294 20 0 BBADMP C1[C@@H]([NH2+][C@H]2CNCCOC2)C12CC[NH2+]CC2 ZINC000925705156 634387108 /nfs/dbraw/zinc/38/71/08/634387108.db2.gz IACBXXZDFFFSGC-WDEREUQCSA-N 2 1 225.336 -0.294 20 0 BBADMP [NH3+]C[C@@H]1CC[C@@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925706658 646430562 /nfs/dbraw/zinc/43/05/62/646430562.db2.gz KBCOQDYFCRPHBS-GMTAPVOTSA-N 2 1 213.325 -0.308 20 0 BBADMP [NH3+]C[C@@H]1CC[C@@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925706659 646431516 /nfs/dbraw/zinc/43/15/16/646431516.db2.gz KBCOQDYFCRPHBS-MXWKQRLJSA-N 2 1 213.325 -0.308 20 0 BBADMP [NH3+]C[C@@H]1CC[C@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925706660 646430617 /nfs/dbraw/zinc/43/06/17/646430617.db2.gz KBCOQDYFCRPHBS-OUAUKWLOSA-N 2 1 213.325 -0.308 20 0 BBADMP [NH3+]C[C@@H]1CC[C@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925706661 646431570 /nfs/dbraw/zinc/43/15/70/646431570.db2.gz KBCOQDYFCRPHBS-VWYCJHECSA-N 2 1 213.325 -0.308 20 0 BBADMP C1=C(CCN[C@@H]2C[NH2+]CCOC2)CC[NH2+]C1 ZINC000925710032 634409395 /nfs/dbraw/zinc/40/93/95/634409395.db2.gz VTGLMLAPMHCLRB-GFCCVEGCSA-N 2 1 225.336 -0.126 20 0 BBADMP C1=C(CCN[C@H]2C[NH2+]CCOC2)CC[NH2+]C1 ZINC000925710034 634408619 /nfs/dbraw/zinc/40/86/19/634408619.db2.gz VTGLMLAPMHCLRB-LBPRGKRZSA-N 2 1 225.336 -0.126 20 0 BBADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CNCCO2)C12CCC2 ZINC000925710549 646434251 /nfs/dbraw/zinc/43/42/51/646434251.db2.gz WXDBKCJXGLVFPT-AXFHLTTASA-N 2 1 225.336 -0.166 20 0 BBADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CNCCO2)C12CCC2 ZINC000925710550 646434168 /nfs/dbraw/zinc/43/41/68/646434168.db2.gz WXDBKCJXGLVFPT-GMTAPVOTSA-N 2 1 225.336 -0.166 20 0 BBADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CNCCO2)C12CCC2 ZINC000925710551 634409275 /nfs/dbraw/zinc/40/92/75/634409275.db2.gz WXDBKCJXGLVFPT-HBNTYKKESA-N 2 1 225.336 -0.166 20 0 BBADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CNCCO2)C12CCC2 ZINC000925710552 634408795 /nfs/dbraw/zinc/40/87/95/634408795.db2.gz WXDBKCJXGLVFPT-MXWKQRLJSA-N 2 1 225.336 -0.166 20 0 BBADMP C[C@H](CCC[NH3+])N[C@@H]1C[NH2+]CCOC1 ZINC000925712913 646438755 /nfs/dbraw/zinc/43/87/55/646438755.db2.gz VXZRIRQVSWBMQH-NXEZZACHSA-N 2 1 201.314 -0.308 20 0 BBADMP C[C@@H](CCC[NH3+])N[C@H]1C[NH2+]CCOC1 ZINC000925712915 646439566 /nfs/dbraw/zinc/43/95/66/646439566.db2.gz VXZRIRQVSWBMQH-UWVGGRQHSA-N 2 1 201.314 -0.308 20 0 BBADMP C[C@@H](CCC[NH3+])N[C@@H]1C[NH2+]CCOC1 ZINC000925712916 646439252 /nfs/dbraw/zinc/43/92/52/646439252.db2.gz VXZRIRQVSWBMQH-VHSXEESVSA-N 2 1 201.314 -0.308 20 0 BBADMP C[C@H](CCC[NH3+])N[C@H]1C[NH2+]CCOC1 ZINC000925712918 646439546 /nfs/dbraw/zinc/43/95/46/646439546.db2.gz VXZRIRQVSWBMQH-ZJUUUORDSA-N 2 1 201.314 -0.308 20 0 BBADMP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@H]2N[C@H]1CC[NH2+]C1 ZINC000925714006 646439626 /nfs/dbraw/zinc/43/96/26/646439626.db2.gz ZHLVSUBGMDRNLO-KNZXXDILSA-N 2 1 225.336 -0.310 20 0 BBADMP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@@H]2N[C@H]1CC[NH2+]C1 ZINC000925714007 646438660 /nfs/dbraw/zinc/43/86/60/646438660.db2.gz ZHLVSUBGMDRNLO-MTVMDMGHSA-N 2 1 225.336 -0.310 20 0 BBADMP [NH3+][C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C12CCC2 ZINC000925715262 646441541 /nfs/dbraw/zinc/44/15/41/646441541.db2.gz BQGMUHZYEVBZKU-CIUDSAMLSA-N 2 1 209.293 -0.266 20 0 BBADMP [NH3+][C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C12CCC2 ZINC000925715263 646440829 /nfs/dbraw/zinc/44/08/29/646440829.db2.gz BQGMUHZYEVBZKU-XHNCKOQMSA-N 2 1 209.293 -0.266 20 0 BBADMP CC1(C)[NH2+]CC[C@H]1NCC[N@H+]1CC[C@@H](O)C1 ZINC000925716674 646441567 /nfs/dbraw/zinc/44/15/67/646441567.db2.gz BPUZRQGXABBZTG-GHMZBOCLSA-N 2 1 227.352 -0.217 20 0 BBADMP CC1(C)[NH2+]CC[C@@H]1NCC[N@H+]1CC[C@@H](O)C1 ZINC000925716675 646440813 /nfs/dbraw/zinc/44/08/13/646440813.db2.gz BPUZRQGXABBZTG-MNOVXSKESA-N 2 1 227.352 -0.217 20 0 BBADMP C[C@H]1[NH2+]CCC[C@H]1NCC[N@H+]1CC[C@@H](O)C1 ZINC000925717536 646443237 /nfs/dbraw/zinc/44/32/37/646443237.db2.gz HVEKBMVRPSWEHN-IJLUTSLNSA-N 2 1 227.352 -0.217 20 0 BBADMP C[C@@H]1[NH2+]CCC[C@H]1NCC[N@H+]1CC[C@@H](O)C1 ZINC000925717537 646442356 /nfs/dbraw/zinc/44/23/56/646442356.db2.gz HVEKBMVRPSWEHN-QJPTWQEYSA-N 2 1 227.352 -0.217 20 0 BBADMP C[C@@H]1[NH2+]CCC[C@@H]1NCC[N@H+]1CC[C@@H](O)C1 ZINC000925717538 646442642 /nfs/dbraw/zinc/44/26/42/646442642.db2.gz HVEKBMVRPSWEHN-TUAOUCFPSA-N 2 1 227.352 -0.217 20 0 BBADMP C[C@H]1[NH2+]CCC[C@@H]1NCC[N@H+]1CC[C@@H](O)C1 ZINC000925717539 646442278 /nfs/dbraw/zinc/44/22/78/646442278.db2.gz HVEKBMVRPSWEHN-UTUOFQBUSA-N 2 1 227.352 -0.217 20 0 BBADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000925717743 646442601 /nfs/dbraw/zinc/44/26/01/646442601.db2.gz FASOGIZZWFLBTB-CIUDSAMLSA-N 2 1 211.309 -0.020 20 0 BBADMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000925717744 646442371 /nfs/dbraw/zinc/44/23/71/646442371.db2.gz FASOGIZZWFLBTB-IWSPIJDZSA-N 2 1 211.309 -0.020 20 0 BBADMP CNC[C@H](C)[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925718448 646442232 /nfs/dbraw/zinc/44/22/32/646442232.db2.gz WQDWPFPVNRGWGN-HGCLJGPKSA-N 2 1 227.352 -0.064 20 0 BBADMP CNC[C@H](C)[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925718450 646442675 /nfs/dbraw/zinc/44/26/75/646442675.db2.gz WQDWPFPVNRGWGN-HHHUOAJASA-N 2 1 227.352 -0.064 20 0 BBADMP CNC[C@H](C)[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925718451 646442145 /nfs/dbraw/zinc/44/21/45/646442145.db2.gz WQDWPFPVNRGWGN-PREPNJAASA-N 2 1 227.352 -0.064 20 0 BBADMP CNC[C@H](C)[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925718462 646442701 /nfs/dbraw/zinc/44/27/01/646442701.db2.gz WQDWPFPVNRGWGN-SVNGYHJRSA-N 2 1 227.352 -0.064 20 0 BBADMP [NH3+]CCCOCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925718587 646442036 /nfs/dbraw/zinc/44/20/36/646442036.db2.gz NUKRXUSNONNJFE-JZRPKSSGSA-N 3 1 239.363 -0.062 20 0 BBADMP [NH3+]CCCOCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925718588 646443090 /nfs/dbraw/zinc/44/30/90/646443090.db2.gz NUKRXUSNONNJFE-NWBUJAPZSA-N 3 1 239.363 -0.062 20 0 BBADMP [NH3+]CCCOCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925718589 646442527 /nfs/dbraw/zinc/44/25/27/646442527.db2.gz NUKRXUSNONNJFE-OBPIAQAESA-N 3 1 239.363 -0.062 20 0 BBADMP [NH3+][C@@H]1C[C@H](NC[C@H]2COCC[NH2+]2)C12CCC2 ZINC000925718620 711714719 /nfs/dbraw/zinc/71/47/19/711714719.db2.gz ORBYGJIIWUUASW-AXFHLTTASA-N 2 1 225.336 -0.166 20 0 BBADMP [NH3+][C@@H]1C[C@@H](NC[C@@H]2COCC[NH2+]2)C12CCC2 ZINC000925718621 711714673 /nfs/dbraw/zinc/71/46/73/711714673.db2.gz ORBYGJIIWUUASW-GMTAPVOTSA-N 2 1 225.336 -0.166 20 0 BBADMP [NH3+][C@@H]1C[C@@H](NC[C@H]2COCC[NH2+]2)C12CCC2 ZINC000925718622 711714680 /nfs/dbraw/zinc/71/46/80/711714680.db2.gz ORBYGJIIWUUASW-HBNTYKKESA-N 2 1 225.336 -0.166 20 0 BBADMP [NH3+][C@@H]1C[C@H](NC[C@@H]2COCC[NH2+]2)C12CCC2 ZINC000925718623 711714636 /nfs/dbraw/zinc/71/46/36/711714636.db2.gz ORBYGJIIWUUASW-MXWKQRLJSA-N 2 1 225.336 -0.166 20 0 BBADMP C[NH2+]CCOCC[NH2+][C@@H]1CCCN[C@@H]1C ZINC000925718979 646444600 /nfs/dbraw/zinc/44/46/00/646444600.db2.gz LKHRALGLFLIOPP-GHMZBOCLSA-N 2 1 215.341 -0.048 20 0 BBADMP C[NH2+]CCOCC[NH2+][C@H]1CCCN[C@@H]1C ZINC000925718980 646444663 /nfs/dbraw/zinc/44/46/63/646444663.db2.gz LKHRALGLFLIOPP-MNOVXSKESA-N 2 1 215.341 -0.048 20 0 BBADMP C[NH2+]CCOCC[NH2+][C@H]1CCCN[C@H]1C ZINC000925718981 646444402 /nfs/dbraw/zinc/44/44/02/646444402.db2.gz LKHRALGLFLIOPP-QWRGUYRKSA-N 2 1 215.341 -0.048 20 0 BBADMP C[NH2+]CCOCC[NH2+][C@@H]1CCCN[C@H]1C ZINC000925718982 646443998 /nfs/dbraw/zinc/44/39/98/646443998.db2.gz LKHRALGLFLIOPP-WDEREUQCSA-N 2 1 215.341 -0.048 20 0 BBADMP [NH3+][C@H]1C[C@@H](NCC[N@H+]2CC[C@@H](O)C2)C12CCC2 ZINC000925720140 646444418 /nfs/dbraw/zinc/44/44/18/646444418.db2.gz WZFAERGPRGAYGB-GRYCIOLGSA-N 2 1 239.363 -0.088 20 0 BBADMP [NH3+][C@H]1C[C@@H](NCC[N@@H+]2CC[C@@H](O)C2)C12CCC2 ZINC000925720140 646444414 /nfs/dbraw/zinc/44/44/14/646444414.db2.gz WZFAERGPRGAYGB-GRYCIOLGSA-N 2 1 239.363 -0.088 20 0 BBADMP [NH3+][C@@H]1C[C@@H](NCC[N@H+]2CC[C@@H](O)C2)C12CCC2 ZINC000925720141 646444657 /nfs/dbraw/zinc/44/46/57/646444657.db2.gz WZFAERGPRGAYGB-IJLUTSLNSA-N 2 1 239.363 -0.088 20 0 BBADMP [NH3+][C@@H]1C[C@@H](NCC[N@@H+]2CC[C@@H](O)C2)C12CCC2 ZINC000925720141 646444654 /nfs/dbraw/zinc/44/46/54/646444654.db2.gz WZFAERGPRGAYGB-IJLUTSLNSA-N 2 1 239.363 -0.088 20 0 BBADMP [NH3+][C@@H]1C[C@H](NCC[N@H+]2CC[C@@H](O)C2)C12CCC2 ZINC000925720142 646444502 /nfs/dbraw/zinc/44/45/02/646444502.db2.gz WZFAERGPRGAYGB-UTUOFQBUSA-N 2 1 239.363 -0.088 20 0 BBADMP [NH3+][C@@H]1C[C@H](NCC[N@@H+]2CC[C@@H](O)C2)C12CCC2 ZINC000925720142 646444500 /nfs/dbraw/zinc/44/45/00/646444500.db2.gz WZFAERGPRGAYGB-UTUOFQBUSA-N 2 1 239.363 -0.088 20 0 BBADMP [NH3+][C@H]1C[C@H](NCC[N@H+]2CC[C@@H](O)C2)C12CCC2 ZINC000925720143 646443975 /nfs/dbraw/zinc/44/39/75/646443975.db2.gz WZFAERGPRGAYGB-WOPDTQHZSA-N 2 1 239.363 -0.088 20 0 BBADMP [NH3+][C@H]1C[C@H](NCC[N@@H+]2CC[C@@H](O)C2)C12CCC2 ZINC000925720143 646443970 /nfs/dbraw/zinc/44/39/70/646443970.db2.gz WZFAERGPRGAYGB-WOPDTQHZSA-N 2 1 239.363 -0.088 20 0 BBADMP O[C@@H]1CC[N@@H+](CCN[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925720286 646444372 /nfs/dbraw/zinc/44/43/72/646444372.db2.gz YMSZQLORGLFYNE-NEPJUHHUSA-N 2 1 239.363 -0.073 20 0 BBADMP O[C@@H]1CC[N@@H+](CCN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925720287 646444843 /nfs/dbraw/zinc/44/48/43/646444843.db2.gz YMSZQLORGLFYNE-VXGBXAGGSA-N 2 1 239.363 -0.073 20 0 BBADMP C[NH2+]CCOCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925720419 646445830 /nfs/dbraw/zinc/44/58/30/646445830.db2.gz SPZWMPQQZJYQMK-JZRPKSSGSA-N 3 1 239.363 -0.192 20 0 BBADMP C[NH2+]CCOCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925720422 646446139 /nfs/dbraw/zinc/44/61/39/646446139.db2.gz SPZWMPQQZJYQMK-NWBUJAPZSA-N 3 1 239.363 -0.192 20 0 BBADMP C[NH2+]CCOCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925720423 646446705 /nfs/dbraw/zinc/44/67/05/646446705.db2.gz SPZWMPQQZJYQMK-OBPIAQAESA-N 3 1 239.363 -0.192 20 0 BBADMP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@@H]2N[C@@H]1CC[NH2+]C1 ZINC000925720655 646445618 /nfs/dbraw/zinc/44/56/18/646445618.db2.gz ZHLVSUBGMDRNLO-IIRVCBMXSA-N 2 1 225.336 -0.310 20 0 BBADMP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@H]2N[C@@H]1CC[NH2+]C1 ZINC000925720656 646445902 /nfs/dbraw/zinc/44/59/02/646445902.db2.gz ZHLVSUBGMDRNLO-YBXAARCKSA-N 2 1 225.336 -0.310 20 0 BBADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000925720832 646446590 /nfs/dbraw/zinc/44/65/90/646446590.db2.gz UZDMCYABUINAFV-AATLWQCWSA-N 2 1 211.309 -0.020 20 0 BBADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000925720833 646445655 /nfs/dbraw/zinc/44/56/55/646445655.db2.gz UZDMCYABUINAFV-KYXWUPHJSA-N 2 1 211.309 -0.020 20 0 BBADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000925720834 646445823 /nfs/dbraw/zinc/44/58/23/646445823.db2.gz UZDMCYABUINAFV-XKNYDFJKSA-N 2 1 211.309 -0.020 20 0 BBADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000925720835 646446149 /nfs/dbraw/zinc/44/61/49/646446149.db2.gz UZDMCYABUINAFV-ZYUZMQFOSA-N 2 1 211.309 -0.020 20 0 BBADMP CC1(C)[NH2+]CC[C@@H]1NCC[N@H+]1CC[C@H](O)C1 ZINC000925723579 646448492 /nfs/dbraw/zinc/44/84/92/646448492.db2.gz BPUZRQGXABBZTG-QWRGUYRKSA-N 2 1 227.352 -0.217 20 0 BBADMP CC1(C)[NH2+]CC[C@H]1NCC[N@H+]1CC[C@H](O)C1 ZINC000925723581 646448126 /nfs/dbraw/zinc/44/81/26/646448126.db2.gz BPUZRQGXABBZTG-WDEREUQCSA-N 2 1 227.352 -0.217 20 0 BBADMP [NH3+][C@@H]1C[C@@H](NCC[N@H+]2CC[C@H](O)C2)C12CCC2 ZINC000925725842 634515640 /nfs/dbraw/zinc/51/56/40/634515640.db2.gz WZFAERGPRGAYGB-QJPTWQEYSA-N 2 1 239.363 -0.088 20 0 BBADMP [NH3+][C@@H]1C[C@@H](NCC[N@@H+]2CC[C@H](O)C2)C12CCC2 ZINC000925725842 634515634 /nfs/dbraw/zinc/51/56/34/634515634.db2.gz WZFAERGPRGAYGB-QJPTWQEYSA-N 2 1 239.363 -0.088 20 0 BBADMP [NH3+][C@H]1C[C@@H](NCC[N@H+]2CC[C@H](O)C2)C12CCC2 ZINC000925725843 634514848 /nfs/dbraw/zinc/51/48/48/634514848.db2.gz WZFAERGPRGAYGB-SDDRHHMPSA-N 2 1 239.363 -0.088 20 0 BBADMP [NH3+][C@H]1C[C@@H](NCC[N@@H+]2CC[C@H](O)C2)C12CCC2 ZINC000925725843 634514841 /nfs/dbraw/zinc/51/48/41/634514841.db2.gz WZFAERGPRGAYGB-SDDRHHMPSA-N 2 1 239.363 -0.088 20 0 BBADMP [NH3+][C@H]1C[C@H](NCC[N@H+]2CC[C@H](O)C2)C12CCC2 ZINC000925725844 634514679 /nfs/dbraw/zinc/51/46/79/634514679.db2.gz WZFAERGPRGAYGB-SRVKXCTJSA-N 2 1 239.363 -0.088 20 0 BBADMP [NH3+][C@H]1C[C@H](NCC[N@@H+]2CC[C@H](O)C2)C12CCC2 ZINC000925725844 634514674 /nfs/dbraw/zinc/51/46/74/634514674.db2.gz WZFAERGPRGAYGB-SRVKXCTJSA-N 2 1 239.363 -0.088 20 0 BBADMP [NH3+][C@@H]1C[C@H](NCC[N@H+]2CC[C@H](O)C2)C12CCC2 ZINC000925726012 634514166 /nfs/dbraw/zinc/51/41/66/634514166.db2.gz WZFAERGPRGAYGB-TUAOUCFPSA-N 2 1 239.363 -0.088 20 0 BBADMP [NH3+][C@@H]1C[C@H](NCC[N@@H+]2CC[C@H](O)C2)C12CCC2 ZINC000925726012 634514161 /nfs/dbraw/zinc/51/41/61/634514161.db2.gz WZFAERGPRGAYGB-TUAOUCFPSA-N 2 1 239.363 -0.088 20 0 BBADMP O[C@H]1CC[N@@H+](CCN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925726095 646451685 /nfs/dbraw/zinc/45/16/85/646451685.db2.gz YMSZQLORGLFYNE-NWDGAFQWSA-N 2 1 239.363 -0.073 20 0 BBADMP O[C@H]1CC[N@@H+](CCN[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925726096 646451046 /nfs/dbraw/zinc/45/10/46/646451046.db2.gz YMSZQLORGLFYNE-RYUDHWBXSA-N 2 1 239.363 -0.073 20 0 BBADMP CNS(=O)(=O)CCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925726315 646451213 /nfs/dbraw/zinc/45/12/13/646451213.db2.gz QTUKGWPLJXCTDJ-NXEZZACHSA-N 2 1 249.380 -0.344 20 0 BBADMP CNS(=O)(=O)CCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925726316 646451747 /nfs/dbraw/zinc/45/17/47/646451747.db2.gz QTUKGWPLJXCTDJ-UWVGGRQHSA-N 2 1 249.380 -0.344 20 0 BBADMP CNS(=O)(=O)CCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925726317 646452615 /nfs/dbraw/zinc/45/26/15/646452615.db2.gz QTUKGWPLJXCTDJ-VHSXEESVSA-N 2 1 249.380 -0.344 20 0 BBADMP CNS(=O)(=O)CCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925726318 646451417 /nfs/dbraw/zinc/45/14/17/646451417.db2.gz QTUKGWPLJXCTDJ-ZJUUUORDSA-N 2 1 249.380 -0.344 20 0 BBADMP CNS(=O)(=O)CCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925726840 646451906 /nfs/dbraw/zinc/45/19/06/646451906.db2.gz WRUWAHLMIHSVBQ-SECBINFHSA-N 2 1 249.380 -0.344 20 0 BBADMP CNS(=O)(=O)CCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925726841 646448253 /nfs/dbraw/zinc/44/82/53/646448253.db2.gz WRUWAHLMIHSVBQ-VIFPVBQESA-N 2 1 249.380 -0.344 20 0 BBADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000925727356 634525809 /nfs/dbraw/zinc/52/58/09/634525809.db2.gz FASOGIZZWFLBTB-AMDVSUOASA-N 2 1 211.309 -0.020 20 0 BBADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000925727357 634526744 /nfs/dbraw/zinc/52/67/44/634526744.db2.gz FASOGIZZWFLBTB-HACHORDNSA-N 2 1 211.309 -0.020 20 0 BBADMP CO[C@H]1C[C@H](CN[C@H]2C[NH2+]CCOC2)C1 ZINC000925736346 646460414 /nfs/dbraw/zinc/46/04/14/646460414.db2.gz MIDBXVQZOJCWFP-DCAQKATOSA-N 2 1 214.309 -0.011 20 0 BBADMP CO[C@H]1C[C@H](CN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925736348 646459987 /nfs/dbraw/zinc/45/99/87/646459987.db2.gz MIDBXVQZOJCWFP-GMTAPVOTSA-N 2 1 214.309 -0.011 20 0 BBADMP C[C@@H]([NH2+]CCN1CCNC1=O)[C@H]1CCC[NH2+]1 ZINC000925777573 646475097 /nfs/dbraw/zinc/47/50/97/646475097.db2.gz OHFDGPAHKCMFCP-NXEZZACHSA-N 2 1 226.324 -0.258 20 0 BBADMP C[C@H]([NH2+]CCN1CCNC1=O)[C@@H]1CCC[NH2+]1 ZINC000925777574 646475436 /nfs/dbraw/zinc/47/54/36/646475436.db2.gz OHFDGPAHKCMFCP-UWVGGRQHSA-N 2 1 226.324 -0.258 20 0 BBADMP C[C@H]([NH2+]CCN1CCNC1=O)[C@H]1CCC[NH2+]1 ZINC000925777576 646475610 /nfs/dbraw/zinc/47/56/10/646475610.db2.gz OHFDGPAHKCMFCP-VHSXEESVSA-N 2 1 226.324 -0.258 20 0 BBADMP C[C@@H]([NH2+]CCN1CCNC1=O)[C@@H]1CCC[NH2+]1 ZINC000925777577 646475052 /nfs/dbraw/zinc/47/50/52/646475052.db2.gz OHFDGPAHKCMFCP-ZJUUUORDSA-N 2 1 226.324 -0.258 20 0 BBADMP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925778044 646476262 /nfs/dbraw/zinc/47/62/62/646476262.db2.gz BEXPWZFRNWIUGQ-LYUGOTMTSA-N 2 1 239.363 -0.064 20 0 BBADMP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925778045 646475170 /nfs/dbraw/zinc/47/51/70/646475170.db2.gz BEXPWZFRNWIUGQ-OJEZURLMSA-N 2 1 239.363 -0.064 20 0 BBADMP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925778046 646474622 /nfs/dbraw/zinc/47/46/22/646474622.db2.gz BEXPWZFRNWIUGQ-PQCBQTOFSA-N 2 1 239.363 -0.064 20 0 BBADMP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925778047 646476055 /nfs/dbraw/zinc/47/60/55/646476055.db2.gz BEXPWZFRNWIUGQ-QXMWZZNTSA-N 2 1 239.363 -0.064 20 0 BBADMP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925783857 646478714 /nfs/dbraw/zinc/47/87/14/646478714.db2.gz LLFVVGJYJUWOTL-GMTAPVOTSA-N 3 1 215.341 -0.062 20 0 BBADMP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925783860 646479834 /nfs/dbraw/zinc/47/98/34/646479834.db2.gz LLFVVGJYJUWOTL-OUAUKWLOSA-N 3 1 215.341 -0.062 20 0 BBADMP C[C@H](CS(C)(=O)=O)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925788722 711751744 /nfs/dbraw/zinc/75/17/44/711751744.db2.gz BQSXAQJPBRQVPJ-BBBLOLIVSA-N 2 1 234.365 -0.135 20 0 BBADMP C[C@@H](CS(C)(=O)=O)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925788723 711751782 /nfs/dbraw/zinc/75/17/82/711751782.db2.gz BQSXAQJPBRQVPJ-UTLUCORTSA-N 2 1 234.365 -0.135 20 0 BBADMP C[C@@H]1C[NH2+]C[C@H]1CCN[C@@H]1C[NH2+]CCOC1 ZINC000925793491 646485023 /nfs/dbraw/zinc/48/50/23/646485023.db2.gz IRIVXRJBZKMGGT-IJLUTSLNSA-N 2 1 227.352 -0.190 20 0 BBADMP C[C@@H]1C[NH2+]C[C@H]1CCN[C@H]1C[NH2+]CCOC1 ZINC000925793493 646485379 /nfs/dbraw/zinc/48/53/79/646485379.db2.gz IRIVXRJBZKMGGT-UTUOFQBUSA-N 2 1 227.352 -0.190 20 0 BBADMP N[C@@H]1CCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817358 646494241 /nfs/dbraw/zinc/49/42/41/646494241.db2.gz QJENXPXVCZCBLH-NEPJUHHUSA-N 2 1 226.368 -0.121 20 0 BBADMP N[C@H]1CCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817359 646493758 /nfs/dbraw/zinc/49/37/58/646493758.db2.gz QJENXPXVCZCBLH-NWDGAFQWSA-N 2 1 226.368 -0.121 20 0 BBADMP N[C@H]1CCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817360 646494179 /nfs/dbraw/zinc/49/41/79/646494179.db2.gz QJENXPXVCZCBLH-RYUDHWBXSA-N 2 1 226.368 -0.121 20 0 BBADMP N[C@@H]1CCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817361 646493730 /nfs/dbraw/zinc/49/37/30/646493730.db2.gz QJENXPXVCZCBLH-VXGBXAGGSA-N 2 1 226.368 -0.121 20 0 BBADMP C[C@H]1CCNC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925818022 646493193 /nfs/dbraw/zinc/49/31/93/646493193.db2.gz YUAXAQJOZZINSX-AAEUAGOBSA-N 2 1 240.395 -0.003 20 0 BBADMP C[C@@H]1CCNC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925818024 646493809 /nfs/dbraw/zinc/49/38/09/646493809.db2.gz YUAXAQJOZZINSX-DGCLKSJQSA-N 2 1 240.395 -0.003 20 0 BBADMP C[C@H]1CCNC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925818027 646494154 /nfs/dbraw/zinc/49/41/54/646494154.db2.gz YUAXAQJOZZINSX-WCQYABFASA-N 2 1 240.395 -0.003 20 0 BBADMP C[C@@H]1CCNC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925818030 646493970 /nfs/dbraw/zinc/49/39/70/646493970.db2.gz YUAXAQJOZZINSX-YPMHNXCESA-N 2 1 240.395 -0.003 20 0 BBADMP [NH3+][C@@H]1CC[C@H](CN[C@H]2C[NH2+]CCOC2)C1 ZINC000925881157 646531187 /nfs/dbraw/zinc/53/11/87/646531187.db2.gz YHHSBUVNDKFNPK-AXFHLTTASA-N 2 1 213.325 -0.308 20 0 BBADMP [NH3+][C@@H]1CC[C@H](CN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925881158 646529737 /nfs/dbraw/zinc/52/97/37/646529737.db2.gz YHHSBUVNDKFNPK-HBNTYKKESA-N 2 1 213.325 -0.308 20 0 BBADMP C[NH+]1CC[C@](O)(CN[C@H]2C[N@H+]3C[C@@H]2CCC3)C1 ZINC000926171715 646589188 /nfs/dbraw/zinc/58/91/88/646589188.db2.gz AJNSPHGVZOQZBZ-AVGNSLFASA-N 2 1 239.363 -0.263 20 0 BBADMP C[NH+]1CC[C@](O)(CN[C@H]2C[N@@H+]3C[C@@H]2CCC3)C1 ZINC000926171715 646589185 /nfs/dbraw/zinc/58/91/85/646589185.db2.gz AJNSPHGVZOQZBZ-AVGNSLFASA-N 2 1 239.363 -0.263 20 0 BBADMP C[NH+]1CC[C@@](O)(CN[C@H]2C[N@H+]3C[C@@H]2CCC3)C1 ZINC000926171726 646588287 /nfs/dbraw/zinc/58/82/87/646588287.db2.gz AJNSPHGVZOQZBZ-RWMBFGLXSA-N 2 1 239.363 -0.263 20 0 BBADMP C[NH+]1CC[C@@](O)(CN[C@H]2C[N@@H+]3C[C@@H]2CCC3)C1 ZINC000926171726 646588285 /nfs/dbraw/zinc/58/82/85/646588285.db2.gz AJNSPHGVZOQZBZ-RWMBFGLXSA-N 2 1 239.363 -0.263 20 0 BBADMP C[N@H+]1CC[C@@](O)(CN[C@H]2C[NH+]3C[C@@H]2CCC3)C1 ZINC000926171726 646588283 /nfs/dbraw/zinc/58/82/83/646588283.db2.gz AJNSPHGVZOQZBZ-RWMBFGLXSA-N 2 1 239.363 -0.263 20 0 BBADMP CCO[C@H](C[NH2+][C@H](C)CC(N)=O)C[NH+](C)C ZINC000926966806 636978076 /nfs/dbraw/zinc/97/80/76/636978076.db2.gz YFARHSAPISIBPK-NXEZZACHSA-N 2 1 231.340 -0.193 20 0 BBADMP CCO[C@@H](C[NH2+][C@@H](C)CC(N)=O)C[NH+](C)C ZINC000926966808 636977724 /nfs/dbraw/zinc/97/77/24/636977724.db2.gz YFARHSAPISIBPK-UWVGGRQHSA-N 2 1 231.340 -0.193 20 0 BBADMP CCO[C@H](C[NH2+][C@@H](C)CC(N)=O)C[NH+](C)C ZINC000926966813 636976727 /nfs/dbraw/zinc/97/67/27/636976727.db2.gz YFARHSAPISIBPK-VHSXEESVSA-N 2 1 231.340 -0.193 20 0 BBADMP CCO[C@@H](C[NH2+][C@H](C)CC(N)=O)C[NH+](C)C ZINC000926966823 636977634 /nfs/dbraw/zinc/97/76/34/636977634.db2.gz YFARHSAPISIBPK-ZJUUUORDSA-N 2 1 231.340 -0.193 20 0 BBADMP C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000928551503 645806806 /nfs/dbraw/zinc/80/68/06/645806806.db2.gz OKYVVWKLIZHYSX-NXEZZACHSA-N 2 1 211.309 -0.099 20 0 BBADMP C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000928551503 645806805 /nfs/dbraw/zinc/80/68/05/645806805.db2.gz OKYVVWKLIZHYSX-NXEZZACHSA-N 2 1 211.309 -0.099 20 0 BBADMP C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000928551503 645806802 /nfs/dbraw/zinc/80/68/02/645806802.db2.gz OKYVVWKLIZHYSX-NXEZZACHSA-N 2 1 211.309 -0.099 20 0 BBADMP C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000928551503 645806800 /nfs/dbraw/zinc/80/68/00/645806800.db2.gz OKYVVWKLIZHYSX-NXEZZACHSA-N 2 1 211.309 -0.099 20 0 BBADMP CN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000928551503 645806798 /nfs/dbraw/zinc/80/67/98/645806798.db2.gz OKYVVWKLIZHYSX-NXEZZACHSA-N 2 1 211.309 -0.099 20 0 BBADMP C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000928551504 645806641 /nfs/dbraw/zinc/80/66/41/645806641.db2.gz OKYVVWKLIZHYSX-UWVGGRQHSA-N 2 1 211.309 -0.099 20 0 BBADMP C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000928551504 645806637 /nfs/dbraw/zinc/80/66/37/645806637.db2.gz OKYVVWKLIZHYSX-UWVGGRQHSA-N 2 1 211.309 -0.099 20 0 BBADMP C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000928551504 645806634 /nfs/dbraw/zinc/80/66/34/645806634.db2.gz OKYVVWKLIZHYSX-UWVGGRQHSA-N 2 1 211.309 -0.099 20 0 BBADMP C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000928551504 645806633 /nfs/dbraw/zinc/80/66/33/645806633.db2.gz OKYVVWKLIZHYSX-UWVGGRQHSA-N 2 1 211.309 -0.099 20 0 BBADMP CN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000928551504 645806631 /nfs/dbraw/zinc/80/66/31/645806631.db2.gz OKYVVWKLIZHYSX-UWVGGRQHSA-N 2 1 211.309 -0.099 20 0 BBADMP C[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000928551505 645804756 /nfs/dbraw/zinc/80/47/56/645804756.db2.gz OKYVVWKLIZHYSX-VHSXEESVSA-N 2 1 211.309 -0.099 20 0 BBADMP C[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000928551505 645804753 /nfs/dbraw/zinc/80/47/53/645804753.db2.gz OKYVVWKLIZHYSX-VHSXEESVSA-N 2 1 211.309 -0.099 20 0 BBADMP C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000928551505 645804748 /nfs/dbraw/zinc/80/47/48/645804748.db2.gz OKYVVWKLIZHYSX-VHSXEESVSA-N 2 1 211.309 -0.099 20 0 BBADMP C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000928551505 645804743 /nfs/dbraw/zinc/80/47/43/645804743.db2.gz OKYVVWKLIZHYSX-VHSXEESVSA-N 2 1 211.309 -0.099 20 0 BBADMP CN1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000928551505 645804742 /nfs/dbraw/zinc/80/47/42/645804742.db2.gz OKYVVWKLIZHYSX-VHSXEESVSA-N 2 1 211.309 -0.099 20 0 BBADMP C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000928551506 645806008 /nfs/dbraw/zinc/80/60/08/645806008.db2.gz OKYVVWKLIZHYSX-ZJUUUORDSA-N 2 1 211.309 -0.099 20 0 BBADMP C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000928551506 645806003 /nfs/dbraw/zinc/80/60/03/645806003.db2.gz OKYVVWKLIZHYSX-ZJUUUORDSA-N 2 1 211.309 -0.099 20 0 BBADMP C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000928551506 645805999 /nfs/dbraw/zinc/80/59/99/645805999.db2.gz OKYVVWKLIZHYSX-ZJUUUORDSA-N 2 1 211.309 -0.099 20 0 BBADMP C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000928551506 645805992 /nfs/dbraw/zinc/80/59/92/645805992.db2.gz OKYVVWKLIZHYSX-ZJUUUORDSA-N 2 1 211.309 -0.099 20 0 BBADMP CN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000928551506 645805988 /nfs/dbraw/zinc/80/59/88/645805988.db2.gz OKYVVWKLIZHYSX-ZJUUUORDSA-N 2 1 211.309 -0.099 20 0 BBADMP C[N@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000928553002 645807901 /nfs/dbraw/zinc/80/79/01/645807901.db2.gz WQTXPEFPVURWPB-JTQLQIEISA-N 2 1 223.320 -0.098 20 0 BBADMP C[N@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000928553005 645807417 /nfs/dbraw/zinc/80/74/17/645807417.db2.gz WQTXPEFPVURWPB-SNVBAGLBSA-N 2 1 223.320 -0.098 20 0 BBADMP C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000928558449 645816766 /nfs/dbraw/zinc/81/67/66/645816766.db2.gz ZJMNLQPLPPAVLI-NXEZZACHSA-N 2 1 211.309 -0.242 20 0 BBADMP C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000928558449 645816761 /nfs/dbraw/zinc/81/67/61/645816761.db2.gz ZJMNLQPLPPAVLI-NXEZZACHSA-N 2 1 211.309 -0.242 20 0 BBADMP C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000928558449 645816756 /nfs/dbraw/zinc/81/67/56/645816756.db2.gz ZJMNLQPLPPAVLI-NXEZZACHSA-N 2 1 211.309 -0.242 20 0 BBADMP C[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000928558450 645817014 /nfs/dbraw/zinc/81/70/14/645817014.db2.gz ZJMNLQPLPPAVLI-UWVGGRQHSA-N 2 1 211.309 -0.242 20 0 BBADMP C[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000928558450 645817009 /nfs/dbraw/zinc/81/70/09/645817009.db2.gz ZJMNLQPLPPAVLI-UWVGGRQHSA-N 2 1 211.309 -0.242 20 0 BBADMP C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000928558450 645817007 /nfs/dbraw/zinc/81/70/07/645817007.db2.gz ZJMNLQPLPPAVLI-UWVGGRQHSA-N 2 1 211.309 -0.242 20 0 BBADMP C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000928558451 645815639 /nfs/dbraw/zinc/81/56/39/645815639.db2.gz ZJMNLQPLPPAVLI-VHSXEESVSA-N 2 1 211.309 -0.242 20 0 BBADMP C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000928558451 645815631 /nfs/dbraw/zinc/81/56/31/645815631.db2.gz ZJMNLQPLPPAVLI-VHSXEESVSA-N 2 1 211.309 -0.242 20 0 BBADMP C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000928558451 645815625 /nfs/dbraw/zinc/81/56/25/645815625.db2.gz ZJMNLQPLPPAVLI-VHSXEESVSA-N 2 1 211.309 -0.242 20 0 BBADMP C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000928558452 645816274 /nfs/dbraw/zinc/81/62/74/645816274.db2.gz ZJMNLQPLPPAVLI-ZJUUUORDSA-N 2 1 211.309 -0.242 20 0 BBADMP C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000928558452 645816265 /nfs/dbraw/zinc/81/62/65/645816265.db2.gz ZJMNLQPLPPAVLI-ZJUUUORDSA-N 2 1 211.309 -0.242 20 0 BBADMP C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000928558452 645816264 /nfs/dbraw/zinc/81/62/64/645816264.db2.gz ZJMNLQPLPPAVLI-ZJUUUORDSA-N 2 1 211.309 -0.242 20 0 BBADMP O[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1(O)CCC1 ZINC000929311674 646073594 /nfs/dbraw/zinc/07/35/94/646073594.db2.gz FUZWPKBYHSBOLZ-AXFHLTTASA-N 2 1 226.320 -0.587 20 0 BBADMP O[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1(O)CCC1 ZINC000929311677 644065750 /nfs/dbraw/zinc/06/57/50/644065750.db2.gz FUZWPKBYHSBOLZ-OUAUKWLOSA-N 2 1 226.320 -0.587 20 0 BBADMP CON1CC[C@H]([NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000929313452 646073192 /nfs/dbraw/zinc/07/31/92/646073192.db2.gz YGAFOSARAWZWBF-BBBLOLIVSA-N 2 1 225.292 -0.700 20 0 BBADMP CON1CC[C@H]([NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000929313453 646074092 /nfs/dbraw/zinc/07/40/92/646074092.db2.gz YGAFOSARAWZWBF-GUBZILKMSA-N 2 1 225.292 -0.700 20 0 BBADMP C[C@H](O)[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000929637459 641381008 /nfs/dbraw/zinc/38/10/08/641381008.db2.gz IQTGNUKKFUCYSQ-AXFHLTTASA-N 2 1 216.325 -0.388 20 0 BBADMP C[C@H](O)[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000929637460 641381792 /nfs/dbraw/zinc/38/17/92/641381792.db2.gz IQTGNUKKFUCYSQ-DCAQKATOSA-N 2 1 216.325 -0.388 20 0 BBADMP C[C@H](O)[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000929637461 641381124 /nfs/dbraw/zinc/38/11/24/641381124.db2.gz IQTGNUKKFUCYSQ-GARJFASQSA-N 2 1 216.325 -0.388 20 0 BBADMP C[C@H](O)[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000929637462 641381576 /nfs/dbraw/zinc/38/15/76/641381576.db2.gz IQTGNUKKFUCYSQ-HBNTYKKESA-N 2 1 216.325 -0.388 20 0 BBADMP OC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000929697065 641404257 /nfs/dbraw/zinc/40/42/57/641404257.db2.gz QHCWGGBCEQEKQV-NEPJUHHUSA-N 2 1 228.336 -0.243 20 0 BBADMP OC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000929697065 641404255 /nfs/dbraw/zinc/40/42/55/641404255.db2.gz QHCWGGBCEQEKQV-NEPJUHHUSA-N 2 1 228.336 -0.243 20 0 BBADMP OC[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000929697067 641405868 /nfs/dbraw/zinc/40/58/68/641405868.db2.gz QHCWGGBCEQEKQV-NWDGAFQWSA-N 2 1 228.336 -0.243 20 0 BBADMP OC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000929697067 641405864 /nfs/dbraw/zinc/40/58/64/641405864.db2.gz QHCWGGBCEQEKQV-NWDGAFQWSA-N 2 1 228.336 -0.243 20 0 BBADMP OC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000929697069 641405337 /nfs/dbraw/zinc/40/53/37/641405337.db2.gz QHCWGGBCEQEKQV-RYUDHWBXSA-N 2 1 228.336 -0.243 20 0 BBADMP OC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000929697069 641405334 /nfs/dbraw/zinc/40/53/34/641405334.db2.gz QHCWGGBCEQEKQV-RYUDHWBXSA-N 2 1 228.336 -0.243 20 0 BBADMP OC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000929697071 641404634 /nfs/dbraw/zinc/40/46/34/641404634.db2.gz QHCWGGBCEQEKQV-VXGBXAGGSA-N 2 1 228.336 -0.243 20 0 BBADMP OC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000929697071 641404630 /nfs/dbraw/zinc/40/46/30/641404630.db2.gz QHCWGGBCEQEKQV-VXGBXAGGSA-N 2 1 228.336 -0.243 20 0 BBADMP C[C@H]1C[C@H]([N@@H+](C)C[C@H](O)CO)CC[NH+]1C ZINC000929782513 641542959 /nfs/dbraw/zinc/54/29/59/641542959.db2.gz MSHRGDGXAKYBAM-AXFHLTTASA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H]1C[C@H]([N@H+](C)C[C@H](O)CO)CC[NH+]1C ZINC000929782513 641542957 /nfs/dbraw/zinc/54/29/57/641542957.db2.gz MSHRGDGXAKYBAM-AXFHLTTASA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H]1C[C@H]([NH+](C)C[C@H](O)CO)CC[N@H+]1C ZINC000929782513 641542954 /nfs/dbraw/zinc/54/29/54/641542954.db2.gz MSHRGDGXAKYBAM-AXFHLTTASA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H]1C[C@H]([NH+](C)C[C@H](O)CO)CC[N@@H+]1C ZINC000929782513 641542950 /nfs/dbraw/zinc/54/29/50/641542950.db2.gz MSHRGDGXAKYBAM-AXFHLTTASA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H]1C[C@H](N(C)C[C@H](O)CO)CC[N@H+]1C ZINC000929782513 641542945 /nfs/dbraw/zinc/54/29/45/641542945.db2.gz MSHRGDGXAKYBAM-AXFHLTTASA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H]1C[C@H](N(C)C[C@H](O)CO)CC[N@@H+]1C ZINC000929782513 641542940 /nfs/dbraw/zinc/54/29/40/641542940.db2.gz MSHRGDGXAKYBAM-AXFHLTTASA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H]1C[C@H]([N@@H+](C)C[C@H](O)CO)CCN1C ZINC000929782513 641542933 /nfs/dbraw/zinc/54/29/33/641542933.db2.gz MSHRGDGXAKYBAM-AXFHLTTASA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)CO)CC[NH+]1C ZINC000929782515 641542150 /nfs/dbraw/zinc/54/21/50/641542150.db2.gz MSHRGDGXAKYBAM-DCAQKATOSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H]1C[C@@H]([N@H+](C)C[C@H](O)CO)CC[NH+]1C ZINC000929782515 641542144 /nfs/dbraw/zinc/54/21/44/641542144.db2.gz MSHRGDGXAKYBAM-DCAQKATOSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H]1C[C@@H]([NH+](C)C[C@H](O)CO)CC[N@H+]1C ZINC000929782515 641542137 /nfs/dbraw/zinc/54/21/37/641542137.db2.gz MSHRGDGXAKYBAM-DCAQKATOSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H]1C[C@@H]([NH+](C)C[C@H](O)CO)CC[N@@H+]1C ZINC000929782515 641542127 /nfs/dbraw/zinc/54/21/27/641542127.db2.gz MSHRGDGXAKYBAM-DCAQKATOSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H]1C[C@@H](N(C)C[C@H](O)CO)CC[N@H+]1C ZINC000929782515 641542118 /nfs/dbraw/zinc/54/21/18/641542118.db2.gz MSHRGDGXAKYBAM-DCAQKATOSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H]1C[C@@H](N(C)C[C@H](O)CO)CC[N@@H+]1C ZINC000929782515 641542109 /nfs/dbraw/zinc/54/21/09/641542109.db2.gz MSHRGDGXAKYBAM-DCAQKATOSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)CO)CCN1C ZINC000929782515 641542104 /nfs/dbraw/zinc/54/21/04/641542104.db2.gz MSHRGDGXAKYBAM-DCAQKATOSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@@H](O)CO)CC[NH+]1C ZINC000929782522 641542628 /nfs/dbraw/zinc/54/26/28/641542628.db2.gz MSHRGDGXAKYBAM-GARJFASQSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H]1C[C@@H]([N@H+](C)C[C@@H](O)CO)CC[NH+]1C ZINC000929782522 641542624 /nfs/dbraw/zinc/54/26/24/641542624.db2.gz MSHRGDGXAKYBAM-GARJFASQSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H]1C[C@@H]([NH+](C)C[C@@H](O)CO)CC[N@H+]1C ZINC000929782522 641542619 /nfs/dbraw/zinc/54/26/19/641542619.db2.gz MSHRGDGXAKYBAM-GARJFASQSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H]1C[C@@H]([NH+](C)C[C@@H](O)CO)CC[N@@H+]1C ZINC000929782522 641542615 /nfs/dbraw/zinc/54/26/15/641542615.db2.gz MSHRGDGXAKYBAM-GARJFASQSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H]1C[C@@H](N(C)C[C@@H](O)CO)CC[N@H+]1C ZINC000929782522 641542608 /nfs/dbraw/zinc/54/26/08/641542608.db2.gz MSHRGDGXAKYBAM-GARJFASQSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H]1C[C@@H](N(C)C[C@@H](O)CO)CC[N@@H+]1C ZINC000929782522 641542603 /nfs/dbraw/zinc/54/26/03/641542603.db2.gz MSHRGDGXAKYBAM-GARJFASQSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@@H](O)CO)CCN1C ZINC000929782522 641542599 /nfs/dbraw/zinc/54/25/99/641542599.db2.gz MSHRGDGXAKYBAM-GARJFASQSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)CO)CC[NH+]1C ZINC000929782524 641541801 /nfs/dbraw/zinc/54/18/01/641541801.db2.gz MSHRGDGXAKYBAM-GMTAPVOTSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)CO)CC[NH+]1C ZINC000929782524 641541799 /nfs/dbraw/zinc/54/17/99/641541799.db2.gz MSHRGDGXAKYBAM-GMTAPVOTSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)CO)CC[N@H+]1C ZINC000929782524 641541798 /nfs/dbraw/zinc/54/17/98/641541798.db2.gz MSHRGDGXAKYBAM-GMTAPVOTSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)CO)CC[N@@H+]1C ZINC000929782524 641541795 /nfs/dbraw/zinc/54/17/95/641541795.db2.gz MSHRGDGXAKYBAM-GMTAPVOTSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H]1C[C@H](N(C)C[C@@H](O)CO)CC[N@H+]1C ZINC000929782524 641541790 /nfs/dbraw/zinc/54/17/90/641541790.db2.gz MSHRGDGXAKYBAM-GMTAPVOTSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H]1C[C@H](N(C)C[C@@H](O)CO)CC[N@@H+]1C ZINC000929782524 641541788 /nfs/dbraw/zinc/54/17/88/641541788.db2.gz MSHRGDGXAKYBAM-GMTAPVOTSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)CO)CCN1C ZINC000929782524 641541785 /nfs/dbraw/zinc/54/17/85/641541785.db2.gz MSHRGDGXAKYBAM-GMTAPVOTSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H]1C[C@H]([N@@H+](C)C[C@@H](O)CO)CC[NH+]1C ZINC000929782869 641541092 /nfs/dbraw/zinc/54/10/92/641541092.db2.gz MSHRGDGXAKYBAM-HBNTYKKESA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H]1C[C@H]([N@H+](C)C[C@@H](O)CO)CC[NH+]1C ZINC000929782869 641541086 /nfs/dbraw/zinc/54/10/86/641541086.db2.gz MSHRGDGXAKYBAM-HBNTYKKESA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H]1C[C@H]([NH+](C)C[C@@H](O)CO)CC[N@H+]1C ZINC000929782869 641541082 /nfs/dbraw/zinc/54/10/82/641541082.db2.gz MSHRGDGXAKYBAM-HBNTYKKESA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H]1C[C@H]([NH+](C)C[C@@H](O)CO)CC[N@@H+]1C ZINC000929782869 641541079 /nfs/dbraw/zinc/54/10/79/641541079.db2.gz MSHRGDGXAKYBAM-HBNTYKKESA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H]1C[C@H](N(C)C[C@@H](O)CO)CC[N@H+]1C ZINC000929782869 641541074 /nfs/dbraw/zinc/54/10/74/641541074.db2.gz MSHRGDGXAKYBAM-HBNTYKKESA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H]1C[C@H](N(C)C[C@@H](O)CO)CC[N@@H+]1C ZINC000929782869 641541066 /nfs/dbraw/zinc/54/10/66/641541066.db2.gz MSHRGDGXAKYBAM-HBNTYKKESA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@H]1C[C@H]([N@@H+](C)C[C@@H](O)CO)CCN1C ZINC000929782869 641541063 /nfs/dbraw/zinc/54/10/63/641541063.db2.gz MSHRGDGXAKYBAM-HBNTYKKESA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)CO)CC[NH+]1C ZINC000929782883 641540775 /nfs/dbraw/zinc/54/07/75/641540775.db2.gz MSHRGDGXAKYBAM-MXWKQRLJSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)CO)CC[NH+]1C ZINC000929782883 641540771 /nfs/dbraw/zinc/54/07/71/641540771.db2.gz MSHRGDGXAKYBAM-MXWKQRLJSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)CO)CC[N@H+]1C ZINC000929782883 641540770 /nfs/dbraw/zinc/54/07/70/641540770.db2.gz MSHRGDGXAKYBAM-MXWKQRLJSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)CO)CC[N@@H+]1C ZINC000929782883 641540766 /nfs/dbraw/zinc/54/07/66/641540766.db2.gz MSHRGDGXAKYBAM-MXWKQRLJSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H]1C[C@H](N(C)C[C@H](O)CO)CC[N@H+]1C ZINC000929782883 641540762 /nfs/dbraw/zinc/54/07/62/641540762.db2.gz MSHRGDGXAKYBAM-MXWKQRLJSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H]1C[C@H](N(C)C[C@H](O)CO)CC[N@@H+]1C ZINC000929782883 641540759 /nfs/dbraw/zinc/54/07/59/641540759.db2.gz MSHRGDGXAKYBAM-MXWKQRLJSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)CO)CCN1C ZINC000929782883 641540754 /nfs/dbraw/zinc/54/07/54/641540754.db2.gz MSHRGDGXAKYBAM-MXWKQRLJSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)CO)CC[NH+]1C ZINC000929782885 641540140 /nfs/dbraw/zinc/54/01/40/641540140.db2.gz MSHRGDGXAKYBAM-OUAUKWLOSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)CO)CC[NH+]1C ZINC000929782885 641540136 /nfs/dbraw/zinc/54/01/36/641540136.db2.gz MSHRGDGXAKYBAM-OUAUKWLOSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)CO)CC[N@H+]1C ZINC000929782885 641540131 /nfs/dbraw/zinc/54/01/31/641540131.db2.gz MSHRGDGXAKYBAM-OUAUKWLOSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)CO)CC[N@@H+]1C ZINC000929782885 641540125 /nfs/dbraw/zinc/54/01/25/641540125.db2.gz MSHRGDGXAKYBAM-OUAUKWLOSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H]1C[C@@H](N(C)C[C@@H](O)CO)CC[N@H+]1C ZINC000929782885 641540118 /nfs/dbraw/zinc/54/01/18/641540118.db2.gz MSHRGDGXAKYBAM-OUAUKWLOSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H]1C[C@@H](N(C)C[C@@H](O)CO)CC[N@@H+]1C ZINC000929782885 641540115 /nfs/dbraw/zinc/54/01/15/641540115.db2.gz MSHRGDGXAKYBAM-OUAUKWLOSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)CO)CCN1C ZINC000929782885 641540106 /nfs/dbraw/zinc/54/01/06/641540106.db2.gz MSHRGDGXAKYBAM-OUAUKWLOSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)CO)CC[NH+]1C ZINC000929782888 641539900 /nfs/dbraw/zinc/53/99/00/641539900.db2.gz MSHRGDGXAKYBAM-VWYCJHECSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)CO)CC[NH+]1C ZINC000929782888 641539897 /nfs/dbraw/zinc/53/98/97/641539897.db2.gz MSHRGDGXAKYBAM-VWYCJHECSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)CO)CC[N@H+]1C ZINC000929782888 641539890 /nfs/dbraw/zinc/53/98/90/641539890.db2.gz MSHRGDGXAKYBAM-VWYCJHECSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)CO)CC[N@@H+]1C ZINC000929782888 641539887 /nfs/dbraw/zinc/53/98/87/641539887.db2.gz MSHRGDGXAKYBAM-VWYCJHECSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H]1C[C@@H](N(C)C[C@H](O)CO)CC[N@H+]1C ZINC000929782888 641539882 /nfs/dbraw/zinc/53/98/82/641539882.db2.gz MSHRGDGXAKYBAM-VWYCJHECSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H]1C[C@@H](N(C)C[C@H](O)CO)CC[N@@H+]1C ZINC000929782888 641539878 /nfs/dbraw/zinc/53/98/78/641539878.db2.gz MSHRGDGXAKYBAM-VWYCJHECSA-N 2 1 216.325 -0.246 20 0 BBADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)CO)CCN1C ZINC000929782888 641539873 /nfs/dbraw/zinc/53/98/73/641539873.db2.gz MSHRGDGXAKYBAM-VWYCJHECSA-N 2 1 216.325 -0.246 20 0 BBADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)CO)C1 ZINC000929788118 646317944 /nfs/dbraw/zinc/31/79/44/646317944.db2.gz PCPVZSGJFOTFIZ-MNOVXSKESA-N 2 1 216.325 -0.387 20 0 BBADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)CO)C1 ZINC000929788118 646317940 /nfs/dbraw/zinc/31/79/40/646317940.db2.gz PCPVZSGJFOTFIZ-MNOVXSKESA-N 2 1 216.325 -0.387 20 0 BBADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)CO)C1 ZINC000929788118 646317925 /nfs/dbraw/zinc/31/79/25/646317925.db2.gz PCPVZSGJFOTFIZ-MNOVXSKESA-N 2 1 216.325 -0.387 20 0 BBADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)CO)C1 ZINC000929788118 646317918 /nfs/dbraw/zinc/31/79/18/646317918.db2.gz PCPVZSGJFOTFIZ-MNOVXSKESA-N 2 1 216.325 -0.387 20 0 BBADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CO)C1 ZINC000929788120 646318157 /nfs/dbraw/zinc/31/81/57/646318157.db2.gz PCPVZSGJFOTFIZ-QWRGUYRKSA-N 2 1 216.325 -0.387 20 0 BBADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CO)C1 ZINC000929788120 646318150 /nfs/dbraw/zinc/31/81/50/646318150.db2.gz PCPVZSGJFOTFIZ-QWRGUYRKSA-N 2 1 216.325 -0.387 20 0 BBADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CO)C1 ZINC000929788120 646318145 /nfs/dbraw/zinc/31/81/45/646318145.db2.gz PCPVZSGJFOTFIZ-QWRGUYRKSA-N 2 1 216.325 -0.387 20 0 BBADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CO)C1 ZINC000929788120 646318139 /nfs/dbraw/zinc/31/81/39/646318139.db2.gz PCPVZSGJFOTFIZ-QWRGUYRKSA-N 2 1 216.325 -0.387 20 0 BBADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)CO)C1 ZINC000929790989 646322797 /nfs/dbraw/zinc/32/27/97/646322797.db2.gz PCPVZSGJFOTFIZ-GHMZBOCLSA-N 2 1 216.325 -0.387 20 0 BBADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)CO)C1 ZINC000929790989 646322792 /nfs/dbraw/zinc/32/27/92/646322792.db2.gz PCPVZSGJFOTFIZ-GHMZBOCLSA-N 2 1 216.325 -0.387 20 0 BBADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CO)C1 ZINC000929790989 646322787 /nfs/dbraw/zinc/32/27/87/646322787.db2.gz PCPVZSGJFOTFIZ-GHMZBOCLSA-N 2 1 216.325 -0.387 20 0 BBADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CO)C1 ZINC000929790989 646322781 /nfs/dbraw/zinc/32/27/81/646322781.db2.gz PCPVZSGJFOTFIZ-GHMZBOCLSA-N 2 1 216.325 -0.387 20 0 BBADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)CO)C1 ZINC000929790990 646323193 /nfs/dbraw/zinc/32/31/93/646323193.db2.gz PCPVZSGJFOTFIZ-WDEREUQCSA-N 2 1 216.325 -0.387 20 0 BBADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)CO)C1 ZINC000929790990 646323187 /nfs/dbraw/zinc/32/31/87/646323187.db2.gz PCPVZSGJFOTFIZ-WDEREUQCSA-N 2 1 216.325 -0.387 20 0 BBADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CO)C1 ZINC000929790990 646323181 /nfs/dbraw/zinc/32/31/81/646323181.db2.gz PCPVZSGJFOTFIZ-WDEREUQCSA-N 2 1 216.325 -0.387 20 0 BBADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CO)C1 ZINC000929790990 646323174 /nfs/dbraw/zinc/32/31/74/646323174.db2.gz PCPVZSGJFOTFIZ-WDEREUQCSA-N 2 1 216.325 -0.387 20 0 BBADMP OC[C@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000929836963 646349135 /nfs/dbraw/zinc/34/91/35/646349135.db2.gz UYMUJABFMHISBS-GFCCVEGCSA-N 2 1 237.303 -0.443 20 0 BBADMP OC[C@@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000929836964 646351567 /nfs/dbraw/zinc/35/15/67/646351567.db2.gz UYMUJABFMHISBS-LBPRGKRZSA-N 2 1 237.303 -0.443 20 0 BBADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@H](O)CO)CC[C@H]21 ZINC000929848378 641762525 /nfs/dbraw/zinc/76/25/25/641762525.db2.gz RQLYIAKMLJHCRT-SDDRHHMPSA-N 2 1 228.336 -0.244 20 0 BBADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@H](O)CO)CC[C@H]21 ZINC000929848378 641762518 /nfs/dbraw/zinc/76/25/18/641762518.db2.gz RQLYIAKMLJHCRT-SDDRHHMPSA-N 2 1 228.336 -0.244 20 0 BBADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@H](O)CO)CC[C@H]21 ZINC000929848378 641762513 /nfs/dbraw/zinc/76/25/13/641762513.db2.gz RQLYIAKMLJHCRT-SDDRHHMPSA-N 2 1 228.336 -0.244 20 0 BBADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)CO ZINC000930061443 646414825 /nfs/dbraw/zinc/41/48/25/646414825.db2.gz QWZIMWIYYNLQAJ-LLVKDONJSA-N 2 1 227.308 -0.133 20 0 BBADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)CO ZINC000930061443 646414821 /nfs/dbraw/zinc/41/48/21/646414821.db2.gz QWZIMWIYYNLQAJ-LLVKDONJSA-N 2 1 227.308 -0.133 20 0 BBADMP Cc1nccn1CCC[N@H+](C)C[C@@H](O)CO ZINC000930061443 646414819 /nfs/dbraw/zinc/41/48/19/646414819.db2.gz QWZIMWIYYNLQAJ-LLVKDONJSA-N 2 1 227.308 -0.133 20 0 BBADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)CO ZINC000930061444 646408985 /nfs/dbraw/zinc/40/89/85/646408985.db2.gz QWZIMWIYYNLQAJ-NSHDSACASA-N 2 1 227.308 -0.133 20 0 BBADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)CO ZINC000930061444 646408981 /nfs/dbraw/zinc/40/89/81/646408981.db2.gz QWZIMWIYYNLQAJ-NSHDSACASA-N 2 1 227.308 -0.133 20 0 BBADMP Cc1nccn1CCC[N@H+](C)C[C@H](O)CO ZINC000930061444 646408975 /nfs/dbraw/zinc/40/89/75/646408975.db2.gz QWZIMWIYYNLQAJ-NSHDSACASA-N 2 1 227.308 -0.133 20 0 BBADMP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)CO)CC2 ZINC000930170949 646472273 /nfs/dbraw/zinc/47/22/73/646472273.db2.gz IRYJLWWEUZNIGA-LLVKDONJSA-N 2 1 228.336 -0.100 20 0 BBADMP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)CO)CC2 ZINC000930170949 646472269 /nfs/dbraw/zinc/47/22/69/646472269.db2.gz IRYJLWWEUZNIGA-LLVKDONJSA-N 2 1 228.336 -0.100 20 0 BBADMP C[N@H+]1CCCC12CC[NH+](C[C@H](O)CO)CC2 ZINC000930170951 646473114 /nfs/dbraw/zinc/47/31/14/646473114.db2.gz IRYJLWWEUZNIGA-NSHDSACASA-N 2 1 228.336 -0.100 20 0 BBADMP C[N@@H+]1CCCC12CC[NH+](C[C@H](O)CO)CC2 ZINC000930170951 646473113 /nfs/dbraw/zinc/47/31/13/646473113.db2.gz IRYJLWWEUZNIGA-NSHDSACASA-N 2 1 228.336 -0.100 20 0 BBADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H](O)CO ZINC000930311028 639696237 /nfs/dbraw/zinc/69/62/37/639696237.db2.gz XEBGUQVRUGOJRY-LLVKDONJSA-N 2 1 216.325 -0.243 20 0 BBADMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H](O)CO ZINC000930311028 639696235 /nfs/dbraw/zinc/69/62/35/639696235.db2.gz XEBGUQVRUGOJRY-LLVKDONJSA-N 2 1 216.325 -0.243 20 0 BBADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H](O)CO ZINC000930311029 639695613 /nfs/dbraw/zinc/69/56/13/639695613.db2.gz XEBGUQVRUGOJRY-NSHDSACASA-N 2 1 216.325 -0.243 20 0 BBADMP C[N@H+](CCC[NH+]1CCCC1)C[C@H](O)CO ZINC000930311029 639695607 /nfs/dbraw/zinc/69/56/07/639695607.db2.gz XEBGUQVRUGOJRY-NSHDSACASA-N 2 1 216.325 -0.243 20 0 BBADMP CN(CCC[N@@H+](C)C[C@@H](O)CO)CC[NH+](C)C ZINC000930501756 639785112 /nfs/dbraw/zinc/78/51/12/639785112.db2.gz GNZPRFDURMYXNJ-GFCCVEGCSA-N 2 1 247.383 -0.845 20 0 BBADMP CN(CCC[N@@H+](C)C[C@H](O)CO)CC[NH+](C)C ZINC000930501757 639784267 /nfs/dbraw/zinc/78/42/67/639784267.db2.gz GNZPRFDURMYXNJ-LBPRGKRZSA-N 2 1 247.383 -0.845 20 0 BBADMP C[C@H](O)[C@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000930559420 639810668 /nfs/dbraw/zinc/81/06/68/639810668.db2.gz UBUQOIAUZIWSOX-QJPTWQEYSA-N 2 1 228.336 -0.244 20 0 BBADMP C[C@H](O)[C@@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000930559422 639811129 /nfs/dbraw/zinc/81/11/29/639811129.db2.gz UBUQOIAUZIWSOX-SDDRHHMPSA-N 2 1 228.336 -0.244 20 0 BBADMP C[C@H](O)[C@@H](O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000930559424 639811658 /nfs/dbraw/zinc/81/16/58/639811658.db2.gz UBUQOIAUZIWSOX-SRVKXCTJSA-N 2 1 228.336 -0.244 20 0 BBADMP C[C@H](O)[C@@H](O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000930559424 639811657 /nfs/dbraw/zinc/81/16/57/639811657.db2.gz UBUQOIAUZIWSOX-SRVKXCTJSA-N 2 1 228.336 -0.244 20 0 BBADMP C[C@H](O)[C@@H](O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000930559424 639811656 /nfs/dbraw/zinc/81/16/56/639811656.db2.gz UBUQOIAUZIWSOX-SRVKXCTJSA-N 2 1 228.336 -0.244 20 0 BBADMP C[C@H](O)[C@H](O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000930559425 639811381 /nfs/dbraw/zinc/81/13/81/639811381.db2.gz UBUQOIAUZIWSOX-TUAOUCFPSA-N 2 1 228.336 -0.244 20 0 BBADMP C[C@H](O)[C@H](O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000930559425 639811380 /nfs/dbraw/zinc/81/13/80/639811380.db2.gz UBUQOIAUZIWSOX-TUAOUCFPSA-N 2 1 228.336 -0.244 20 0 BBADMP C[C@H](O)[C@H](O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000930559425 639811379 /nfs/dbraw/zinc/81/13/79/639811379.db2.gz UBUQOIAUZIWSOX-TUAOUCFPSA-N 2 1 228.336 -0.244 20 0 BBADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H](O)CO)C2)C1 ZINC000930577728 639813116 /nfs/dbraw/zinc/81/31/16/639813116.db2.gz WDVPSFNUQAUHGU-NEPJUHHUSA-N 2 1 228.336 -0.243 20 0 BBADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H](O)CO)C2)C1 ZINC000930577730 639812947 /nfs/dbraw/zinc/81/29/47/639812947.db2.gz WDVPSFNUQAUHGU-VXGBXAGGSA-N 2 1 228.336 -0.243 20 0 BBADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H](O)CO)C2)C1 ZINC000930578625 633909296 /nfs/dbraw/zinc/90/92/96/633909296.db2.gz WDVPSFNUQAUHGU-NWDGAFQWSA-N 2 1 228.336 -0.243 20 0 BBADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H](O)CO)C2)C1 ZINC000930578625 633909294 /nfs/dbraw/zinc/90/92/94/633909294.db2.gz WDVPSFNUQAUHGU-NWDGAFQWSA-N 2 1 228.336 -0.243 20 0 BBADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)CO)C2)C1 ZINC000930578625 633909287 /nfs/dbraw/zinc/90/92/87/633909287.db2.gz WDVPSFNUQAUHGU-NWDGAFQWSA-N 2 1 228.336 -0.243 20 0 BBADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)CO)C2)C1 ZINC000930578627 633909571 /nfs/dbraw/zinc/90/95/71/633909571.db2.gz WDVPSFNUQAUHGU-RYUDHWBXSA-N 2 1 228.336 -0.243 20 0 BBADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)CO)C2)C1 ZINC000930578627 633909562 /nfs/dbraw/zinc/90/95/62/633909562.db2.gz WDVPSFNUQAUHGU-RYUDHWBXSA-N 2 1 228.336 -0.243 20 0 BBADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H](O)CO)C2)C1 ZINC000930578627 633909557 /nfs/dbraw/zinc/90/95/57/633909557.db2.gz WDVPSFNUQAUHGU-RYUDHWBXSA-N 2 1 228.336 -0.243 20 0 BBADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)CO)C2 ZINC000930601392 639817640 /nfs/dbraw/zinc/81/76/40/639817640.db2.gz HNWSGNJRGFLTRA-NEPJUHHUSA-N 2 1 228.336 -0.243 20 0 BBADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)CO)C2 ZINC000930601392 639817639 /nfs/dbraw/zinc/81/76/39/639817639.db2.gz HNWSGNJRGFLTRA-NEPJUHHUSA-N 2 1 228.336 -0.243 20 0 BBADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)CO)C2 ZINC000930601392 639817637 /nfs/dbraw/zinc/81/76/37/639817637.db2.gz HNWSGNJRGFLTRA-NEPJUHHUSA-N 2 1 228.336 -0.243 20 0 BBADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)CO)C2 ZINC000930601392 639817635 /nfs/dbraw/zinc/81/76/35/639817635.db2.gz HNWSGNJRGFLTRA-NEPJUHHUSA-N 2 1 228.336 -0.243 20 0 BBADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)CO)C2 ZINC000930601394 639817311 /nfs/dbraw/zinc/81/73/11/639817311.db2.gz HNWSGNJRGFLTRA-NWDGAFQWSA-N 2 1 228.336 -0.243 20 0 BBADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)CO)C2 ZINC000930601394 639817310 /nfs/dbraw/zinc/81/73/10/639817310.db2.gz HNWSGNJRGFLTRA-NWDGAFQWSA-N 2 1 228.336 -0.243 20 0 BBADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)CO)C2 ZINC000930601394 639817309 /nfs/dbraw/zinc/81/73/09/639817309.db2.gz HNWSGNJRGFLTRA-NWDGAFQWSA-N 2 1 228.336 -0.243 20 0 BBADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)CO)C2 ZINC000930601394 639817308 /nfs/dbraw/zinc/81/73/08/639817308.db2.gz HNWSGNJRGFLTRA-NWDGAFQWSA-N 2 1 228.336 -0.243 20 0 BBADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)CO)C2 ZINC000930601396 639817353 /nfs/dbraw/zinc/81/73/53/639817353.db2.gz HNWSGNJRGFLTRA-RYUDHWBXSA-N 2 1 228.336 -0.243 20 0 BBADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H](O)CO)C2 ZINC000930601396 639817352 /nfs/dbraw/zinc/81/73/52/639817352.db2.gz HNWSGNJRGFLTRA-RYUDHWBXSA-N 2 1 228.336 -0.243 20 0 BBADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)CO)C2 ZINC000930601396 639817351 /nfs/dbraw/zinc/81/73/51/639817351.db2.gz HNWSGNJRGFLTRA-RYUDHWBXSA-N 2 1 228.336 -0.243 20 0 BBADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)CO)C2 ZINC000930601396 639817350 /nfs/dbraw/zinc/81/73/50/639817350.db2.gz HNWSGNJRGFLTRA-RYUDHWBXSA-N 2 1 228.336 -0.243 20 0 BBADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)CO)C2 ZINC000930601398 639817621 /nfs/dbraw/zinc/81/76/21/639817621.db2.gz HNWSGNJRGFLTRA-VXGBXAGGSA-N 2 1 228.336 -0.243 20 0 BBADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)CO)C2 ZINC000930601398 639817620 /nfs/dbraw/zinc/81/76/20/639817620.db2.gz HNWSGNJRGFLTRA-VXGBXAGGSA-N 2 1 228.336 -0.243 20 0 BBADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)CO)C2 ZINC000930601398 639817619 /nfs/dbraw/zinc/81/76/19/639817619.db2.gz HNWSGNJRGFLTRA-VXGBXAGGSA-N 2 1 228.336 -0.243 20 0 BBADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)CO)C2 ZINC000930601398 639817617 /nfs/dbraw/zinc/81/76/17/639817617.db2.gz HNWSGNJRGFLTRA-VXGBXAGGSA-N 2 1 228.336 -0.243 20 0 BBADMP C[C@@H]1[C@H](O)CC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000930658077 639848898 /nfs/dbraw/zinc/84/88/98/639848898.db2.gz PWXSGAKKFJFEEG-GRYCIOLGSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@@H]1[C@H](O)CC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000930658077 639848897 /nfs/dbraw/zinc/84/88/97/639848897.db2.gz PWXSGAKKFJFEEG-GRYCIOLGSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@@H]1[C@H](O)CC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000930658078 639848549 /nfs/dbraw/zinc/84/85/49/639848549.db2.gz PWXSGAKKFJFEEG-IJLUTSLNSA-N 2 1 228.336 -0.102 20 0 BBADMP C[C@@H]1[C@H](O)CC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000930658078 639848546 /nfs/dbraw/zinc/84/85/46/639848546.db2.gz PWXSGAKKFJFEEG-IJLUTSLNSA-N 2 1 228.336 -0.102 20 0 BBADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H](O)CO)CCO2 ZINC000930823216 639922346 /nfs/dbraw/zinc/92/23/46/639922346.db2.gz FWACABOAFWMTDQ-LLVKDONJSA-N 2 1 244.335 -0.864 20 0 BBADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H](O)CO)CCO2 ZINC000930823217 639923253 /nfs/dbraw/zinc/92/32/53/639923253.db2.gz FWACABOAFWMTDQ-NSHDSACASA-N 2 1 244.335 -0.864 20 0 BBADMP C[C@H](O)[C@H](O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000930904695 639979436 /nfs/dbraw/zinc/97/94/36/639979436.db2.gz UWWGSFMKLKPOJG-QJPTWQEYSA-N 2 1 246.351 -0.883 20 0 BBADMP C[C@H](O)[C@H](O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000930904695 639979431 /nfs/dbraw/zinc/97/94/31/639979431.db2.gz UWWGSFMKLKPOJG-QJPTWQEYSA-N 2 1 246.351 -0.883 20 0 BBADMP C[C@H](O)[C@@H](O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000930904700 639978278 /nfs/dbraw/zinc/97/82/78/639978278.db2.gz UWWGSFMKLKPOJG-SDDRHHMPSA-N 2 1 246.351 -0.883 20 0 BBADMP C[C@H](O)[C@@H](O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000930904700 639978270 /nfs/dbraw/zinc/97/82/70/639978270.db2.gz UWWGSFMKLKPOJG-SDDRHHMPSA-N 2 1 246.351 -0.883 20 0 BBADMP C[C@H](O)[C@@H](O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000930904701 639979412 /nfs/dbraw/zinc/97/94/12/639979412.db2.gz UWWGSFMKLKPOJG-SRVKXCTJSA-N 2 1 246.351 -0.883 20 0 BBADMP C[C@H](O)[C@@H](O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000930904701 639979409 /nfs/dbraw/zinc/97/94/09/639979409.db2.gz UWWGSFMKLKPOJG-SRVKXCTJSA-N 2 1 246.351 -0.883 20 0 BBADMP C[C@H](O)[C@H](O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000930904702 639980153 /nfs/dbraw/zinc/98/01/53/639980153.db2.gz UWWGSFMKLKPOJG-TUAOUCFPSA-N 2 1 246.351 -0.883 20 0 BBADMP C[C@H](O)[C@H](O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000930904702 639980150 /nfs/dbraw/zinc/98/01/50/639980150.db2.gz UWWGSFMKLKPOJG-TUAOUCFPSA-N 2 1 246.351 -0.883 20 0 BBADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H](O)CO)CCO1 ZINC000931076212 640058723 /nfs/dbraw/zinc/05/87/23/640058723.db2.gz OIWZSBAPZXXGSG-NEPJUHHUSA-N 2 1 246.351 -0.618 20 0 BBADMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H](O)CO)CCO1 ZINC000931076212 640058716 /nfs/dbraw/zinc/05/87/16/640058716.db2.gz OIWZSBAPZXXGSG-NEPJUHHUSA-N 2 1 246.351 -0.618 20 0 BBADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H](O)CO)CCO1 ZINC000931076213 640059529 /nfs/dbraw/zinc/05/95/29/640059529.db2.gz OIWZSBAPZXXGSG-NWDGAFQWSA-N 2 1 246.351 -0.618 20 0 BBADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H](O)CO)CCO1 ZINC000931076213 640059518 /nfs/dbraw/zinc/05/95/18/640059518.db2.gz OIWZSBAPZXXGSG-NWDGAFQWSA-N 2 1 246.351 -0.618 20 0 BBADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H](O)CO)CCO1 ZINC000931076214 640060020 /nfs/dbraw/zinc/06/00/20/640060020.db2.gz OIWZSBAPZXXGSG-RYUDHWBXSA-N 2 1 246.351 -0.618 20 0 BBADMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H](O)CO)CCO1 ZINC000931076214 640060016 /nfs/dbraw/zinc/06/00/16/640060016.db2.gz OIWZSBAPZXXGSG-RYUDHWBXSA-N 2 1 246.351 -0.618 20 0 BBADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H](O)CO)CCO1 ZINC000931076215 640058262 /nfs/dbraw/zinc/05/82/62/640058262.db2.gz OIWZSBAPZXXGSG-VXGBXAGGSA-N 2 1 246.351 -0.618 20 0 BBADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H](O)CO)CCO1 ZINC000931076215 640058257 /nfs/dbraw/zinc/05/82/57/640058257.db2.gz OIWZSBAPZXXGSG-VXGBXAGGSA-N 2 1 246.351 -0.618 20 0 BBADMP CN(C)C(=O)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277769 640129971 /nfs/dbraw/zinc/12/99/71/640129971.db2.gz PGQOERSFGMEENG-IAZYJMLFSA-N 2 1 225.336 -0.044 20 0 BBADMP CN(C)C(=O)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277769 640129966 /nfs/dbraw/zinc/12/99/66/640129966.db2.gz PGQOERSFGMEENG-IAZYJMLFSA-N 2 1 225.336 -0.044 20 0 BBADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H]3CNC(=O)C3)C[C@H]21 ZINC000931278120 634304305 /nfs/dbraw/zinc/30/43/05/634304305.db2.gz YRNZKXRFADZECU-SVDPJWKOSA-N 2 1 223.320 -0.386 20 0 BBADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H]3CNC(=O)C3)C[C@H]21 ZINC000931278120 634304302 /nfs/dbraw/zinc/30/43/02/634304302.db2.gz YRNZKXRFADZECU-SVDPJWKOSA-N 2 1 223.320 -0.386 20 0 BBADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CNC(=O)C3)C[C@H]21 ZINC000931278121 634303494 /nfs/dbraw/zinc/30/34/94/634303494.db2.gz YRNZKXRFADZECU-UXCLJVHYSA-N 2 1 223.320 -0.386 20 0 BBADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H]3CNC(=O)C3)C[C@H]21 ZINC000931278121 634303492 /nfs/dbraw/zinc/30/34/92/634303492.db2.gz YRNZKXRFADZECU-UXCLJVHYSA-N 2 1 223.320 -0.386 20 0 BBADMP C[C@H](O)[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2N(C)C ZINC000931281704 640122049 /nfs/dbraw/zinc/12/20/49/640122049.db2.gz WYEXEOYOVBUWQR-QUARPLMYSA-N 2 1 214.309 -0.780 20 0 BBADMP C[C@@H](O)[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2N(C)C ZINC000931281706 640121760 /nfs/dbraw/zinc/12/17/60/640121760.db2.gz WYEXEOYOVBUWQR-UVOCVTCTSA-N 2 1 214.309 -0.780 20 0 BBADMP CNC(=O)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931282794 640136475 /nfs/dbraw/zinc/13/64/75/640136475.db2.gz ZZMRHDMKHQVWSL-JZYVYDRUSA-N 2 1 211.309 -0.386 20 0 BBADMP CNC(=O)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931282794 640136470 /nfs/dbraw/zinc/13/64/70/640136470.db2.gz ZZMRHDMKHQVWSL-JZYVYDRUSA-N 2 1 211.309 -0.386 20 0 BBADMP C[NH+]1C[C@@]2(C)C[NH+](C[C@H](O)CO)C[C@]2(C)C1 ZINC000931305765 640141769 /nfs/dbraw/zinc/14/17/69/640141769.db2.gz CVNDXWISUDKFIN-SRVKXCTJSA-N 2 1 228.336 -0.387 20 0 BBADMP C[NH+]1C[C@@]2(C)C[NH+](C[C@@H](O)CO)C[C@]2(C)C1 ZINC000931315893 640156388 /nfs/dbraw/zinc/15/63/88/640156388.db2.gz CVNDXWISUDKFIN-WOPDTQHZSA-N 2 1 228.336 -0.387 20 0 BBADMP CN(C)C(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931424484 640185509 /nfs/dbraw/zinc/18/55/09/640185509.db2.gz ALVQXHGGYGTMRO-WDEREUQCSA-N 2 1 225.336 -0.042 20 0 BBADMP CN(C)C(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931424484 640185500 /nfs/dbraw/zinc/18/55/00/640185500.db2.gz ALVQXHGGYGTMRO-WDEREUQCSA-N 2 1 225.336 -0.042 20 0 BBADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931424484 640185489 /nfs/dbraw/zinc/18/54/89/640185489.db2.gz ALVQXHGGYGTMRO-WDEREUQCSA-N 2 1 225.336 -0.042 20 0 BBADMP C[C@@H](C(N)=O)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931431577 640199359 /nfs/dbraw/zinc/19/93/59/640199359.db2.gz AXISNACVGIJQOX-LPEHRKFASA-N 2 1 211.309 -0.256 20 0 BBADMP C[C@@H](C(N)=O)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931431577 640199355 /nfs/dbraw/zinc/19/93/55/640199355.db2.gz AXISNACVGIJQOX-LPEHRKFASA-N 2 1 211.309 -0.256 20 0 BBADMP CNC(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432410 640198570 /nfs/dbraw/zinc/19/85/70/640198570.db2.gz PRFNLNWWWZLFIK-VHSXEESVSA-N 2 1 211.309 -0.384 20 0 BBADMP CNC(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931432410 640198568 /nfs/dbraw/zinc/19/85/68/640198568.db2.gz PRFNLNWWWZLFIK-VHSXEESVSA-N 2 1 211.309 -0.384 20 0 BBADMP CNC(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432410 640198563 /nfs/dbraw/zinc/19/85/63/640198563.db2.gz PRFNLNWWWZLFIK-VHSXEESVSA-N 2 1 211.309 -0.384 20 0 BBADMP CNC(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432410 640198556 /nfs/dbraw/zinc/19/85/56/640198556.db2.gz PRFNLNWWWZLFIK-VHSXEESVSA-N 2 1 211.309 -0.384 20 0 BBADMP CNC(=O)CN1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432410 640198554 /nfs/dbraw/zinc/19/85/54/640198554.db2.gz PRFNLNWWWZLFIK-VHSXEESVSA-N 2 1 211.309 -0.384 20 0 BBADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC000931434764 640203987 /nfs/dbraw/zinc/20/39/87/640203987.db2.gz WFXCOPKKYWRGFC-OUAUKWLOSA-N 2 1 223.320 -0.242 20 0 BBADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC000931434764 640203980 /nfs/dbraw/zinc/20/39/80/640203980.db2.gz WFXCOPKKYWRGFC-OUAUKWLOSA-N 2 1 223.320 -0.242 20 0 BBADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC000931434764 640203978 /nfs/dbraw/zinc/20/39/78/640203978.db2.gz WFXCOPKKYWRGFC-OUAUKWLOSA-N 2 1 223.320 -0.242 20 0 BBADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC000931434772 640200768 /nfs/dbraw/zinc/20/07/68/640200768.db2.gz WFXCOPKKYWRGFC-VWYCJHECSA-N 2 1 223.320 -0.242 20 0 BBADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC000931434772 640200764 /nfs/dbraw/zinc/20/07/64/640200764.db2.gz WFXCOPKKYWRGFC-VWYCJHECSA-N 2 1 223.320 -0.242 20 0 BBADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC000931434772 640200760 /nfs/dbraw/zinc/20/07/60/640200760.db2.gz WFXCOPKKYWRGFC-VWYCJHECSA-N 2 1 223.320 -0.242 20 0 BBADMP COC[C@@H](O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931436801 640198763 /nfs/dbraw/zinc/19/87/63/640198763.db2.gz MXMLNIPEKYPJMA-TUAOUCFPSA-N 2 1 228.336 -0.123 20 0 BBADMP COC[C@@H](O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931436801 640198757 /nfs/dbraw/zinc/19/87/57/640198757.db2.gz MXMLNIPEKYPJMA-TUAOUCFPSA-N 2 1 228.336 -0.123 20 0 BBADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436801 640198753 /nfs/dbraw/zinc/19/87/53/640198753.db2.gz MXMLNIPEKYPJMA-TUAOUCFPSA-N 2 1 228.336 -0.123 20 0 BBADMP CON(C)C(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931437777 640204378 /nfs/dbraw/zinc/20/43/78/640204378.db2.gz HNLGCEKGZMXYLI-WDEREUQCSA-N 2 1 241.335 -0.110 20 0 BBADMP CON(C)C(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931437777 640204365 /nfs/dbraw/zinc/20/43/65/640204365.db2.gz HNLGCEKGZMXYLI-WDEREUQCSA-N 2 1 241.335 -0.110 20 0 BBADMP CON(C)C(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437777 640204354 /nfs/dbraw/zinc/20/43/54/640204354.db2.gz HNLGCEKGZMXYLI-WDEREUQCSA-N 2 1 241.335 -0.110 20 0 BBADMP CON(C)C(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437777 640204348 /nfs/dbraw/zinc/20/43/48/640204348.db2.gz HNLGCEKGZMXYLI-WDEREUQCSA-N 2 1 241.335 -0.110 20 0 BBADMP C[C@@H](O)[C@@H](O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931442227 640205460 /nfs/dbraw/zinc/20/54/60/640205460.db2.gz ZBMICQPAKRPQAV-KXNHARMFSA-N 2 1 228.336 -0.388 20 0 BBADMP C[C@@H](O)[C@@H](O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931442227 640205454 /nfs/dbraw/zinc/20/54/54/640205454.db2.gz ZBMICQPAKRPQAV-KXNHARMFSA-N 2 1 228.336 -0.388 20 0 BBADMP C[C@@H](O)[C@@H](O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442227 640205449 /nfs/dbraw/zinc/20/54/49/640205449.db2.gz ZBMICQPAKRPQAV-KXNHARMFSA-N 2 1 228.336 -0.388 20 0 BBADMP C[C@H](O)[C@H](O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931442228 640208688 /nfs/dbraw/zinc/20/86/88/640208688.db2.gz ZBMICQPAKRPQAV-NNYUYHANSA-N 2 1 228.336 -0.388 20 0 BBADMP C[C@H](O)[C@H](O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931442228 640208683 /nfs/dbraw/zinc/20/86/83/640208683.db2.gz ZBMICQPAKRPQAV-NNYUYHANSA-N 2 1 228.336 -0.388 20 0 BBADMP C[C@H](O)[C@H](O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442228 640208676 /nfs/dbraw/zinc/20/86/76/640208676.db2.gz ZBMICQPAKRPQAV-NNYUYHANSA-N 2 1 228.336 -0.388 20 0 BBADMP C[C@@H](O)[C@H](O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931442229 640206402 /nfs/dbraw/zinc/20/64/02/640206402.db2.gz ZBMICQPAKRPQAV-WRWGMCAJSA-N 2 1 228.336 -0.388 20 0 BBADMP C[C@@H](O)[C@H](O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931442229 640206393 /nfs/dbraw/zinc/20/63/93/640206393.db2.gz ZBMICQPAKRPQAV-WRWGMCAJSA-N 2 1 228.336 -0.388 20 0 BBADMP C[C@@H](O)[C@H](O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442229 640206388 /nfs/dbraw/zinc/20/63/88/640206388.db2.gz ZBMICQPAKRPQAV-WRWGMCAJSA-N 2 1 228.336 -0.388 20 0 BBADMP C[C@H](O)[C@@H](O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931442230 640206057 /nfs/dbraw/zinc/20/60/57/640206057.db2.gz ZBMICQPAKRPQAV-YFKTTZPYSA-N 2 1 228.336 -0.388 20 0 BBADMP C[C@H](O)[C@@H](O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931442230 640206051 /nfs/dbraw/zinc/20/60/51/640206051.db2.gz ZBMICQPAKRPQAV-YFKTTZPYSA-N 2 1 228.336 -0.388 20 0 BBADMP C[C@H](O)[C@@H](O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442230 640206050 /nfs/dbraw/zinc/20/60/50/640206050.db2.gz ZBMICQPAKRPQAV-YFKTTZPYSA-N 2 1 228.336 -0.388 20 0 BBADMP C[N@H+]1CC[C@@H]2C[NH+](CCn3cnnn3)C[C@@H]2C1 ZINC000931443396 711715311 /nfs/dbraw/zinc/71/53/11/711715311.db2.gz WPNCCSOVXWDJTM-MNOVXSKESA-N 2 1 236.323 -0.443 20 0 BBADMP Nc1ccnc2c1C[N@@H+](C[C@H](O)CO)CC2 ZINC000931511829 640243891 /nfs/dbraw/zinc/24/38/91/640243891.db2.gz ICPMFGCWMJWSOK-QMMMGPOBSA-N 2 1 223.276 -0.625 20 0 BBADMP Nc1ccnc2c1C[N@H+](C[C@H](O)CO)CC2 ZINC000931511829 640243888 /nfs/dbraw/zinc/24/38/88/640243888.db2.gz ICPMFGCWMJWSOK-QMMMGPOBSA-N 2 1 223.276 -0.625 20 0 BBADMP C[C@H](O)[C@H](O)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000931546530 640265582 /nfs/dbraw/zinc/26/55/82/640265582.db2.gz LMZMTOBUTOYNKB-FIQHERPVSA-N 2 1 228.336 -0.246 20 0 BBADMP C[C@H](O)[C@H](O)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000931546530 640265573 /nfs/dbraw/zinc/26/55/73/640265573.db2.gz LMZMTOBUTOYNKB-FIQHERPVSA-N 2 1 228.336 -0.246 20 0 BBADMP C[C@H](O)[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000931546530 640265566 /nfs/dbraw/zinc/26/55/66/640265566.db2.gz LMZMTOBUTOYNKB-FIQHERPVSA-N 2 1 228.336 -0.246 20 0 BBADMP C[C@H](O)[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000931546530 640265559 /nfs/dbraw/zinc/26/55/59/640265559.db2.gz LMZMTOBUTOYNKB-FIQHERPVSA-N 2 1 228.336 -0.246 20 0 BBADMP C[C@H](O)[C@H](O)CN1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000931546530 640265554 /nfs/dbraw/zinc/26/55/54/640265554.db2.gz LMZMTOBUTOYNKB-FIQHERPVSA-N 2 1 228.336 -0.246 20 0 BBADMP C[C@H](O)[C@H](O)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000931546531 640267632 /nfs/dbraw/zinc/26/76/32/640267632.db2.gz LMZMTOBUTOYNKB-IRCOFANPSA-N 2 1 228.336 -0.246 20 0 BBADMP C[C@H](O)[C@H](O)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000931546531 640267627 /nfs/dbraw/zinc/26/76/27/640267627.db2.gz LMZMTOBUTOYNKB-IRCOFANPSA-N 2 1 228.336 -0.246 20 0 BBADMP C[C@H](O)[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000931546531 640267619 /nfs/dbraw/zinc/26/76/19/640267619.db2.gz LMZMTOBUTOYNKB-IRCOFANPSA-N 2 1 228.336 -0.246 20 0 BBADMP C[C@H](O)[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000931546531 640267612 /nfs/dbraw/zinc/26/76/12/640267612.db2.gz LMZMTOBUTOYNKB-IRCOFANPSA-N 2 1 228.336 -0.246 20 0 BBADMP C[C@H](O)[C@H](O)CN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000931546531 640267607 /nfs/dbraw/zinc/26/76/07/640267607.db2.gz LMZMTOBUTOYNKB-IRCOFANPSA-N 2 1 228.336 -0.246 20 0 BBADMP C[C@H](O)[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000931546532 640268518 /nfs/dbraw/zinc/26/85/18/640268518.db2.gz LMZMTOBUTOYNKB-NNYUYHANSA-N 2 1 228.336 -0.246 20 0 BBADMP C[C@H](O)[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000931546532 640268515 /nfs/dbraw/zinc/26/85/15/640268515.db2.gz LMZMTOBUTOYNKB-NNYUYHANSA-N 2 1 228.336 -0.246 20 0 BBADMP C[C@H](O)[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000931546532 640268509 /nfs/dbraw/zinc/26/85/09/640268509.db2.gz LMZMTOBUTOYNKB-NNYUYHANSA-N 2 1 228.336 -0.246 20 0 BBADMP C[C@H](O)[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000931546532 640268507 /nfs/dbraw/zinc/26/85/07/640268507.db2.gz LMZMTOBUTOYNKB-NNYUYHANSA-N 2 1 228.336 -0.246 20 0 BBADMP C[C@H](O)[C@H](O)CN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000931546532 640268500 /nfs/dbraw/zinc/26/85/00/640268500.db2.gz LMZMTOBUTOYNKB-NNYUYHANSA-N 2 1 228.336 -0.246 20 0 BBADMP C[C@H](O)[C@H](O)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000931546533 640266771 /nfs/dbraw/zinc/26/67/71/640266771.db2.gz LMZMTOBUTOYNKB-WHOHXGKFSA-N 2 1 228.336 -0.246 20 0 BBADMP C[C@H](O)[C@H](O)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000931546533 640266767 /nfs/dbraw/zinc/26/67/67/640266767.db2.gz LMZMTOBUTOYNKB-WHOHXGKFSA-N 2 1 228.336 -0.246 20 0 BBADMP C[C@H](O)[C@H](O)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000931546533 640266763 /nfs/dbraw/zinc/26/67/63/640266763.db2.gz LMZMTOBUTOYNKB-WHOHXGKFSA-N 2 1 228.336 -0.246 20 0 BBADMP C[C@H](O)[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000931546533 640266755 /nfs/dbraw/zinc/26/67/55/640266755.db2.gz LMZMTOBUTOYNKB-WHOHXGKFSA-N 2 1 228.336 -0.246 20 0 BBADMP C[C@H](O)[C@H](O)CN1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000931546533 640266752 /nfs/dbraw/zinc/26/67/52/640266752.db2.gz LMZMTOBUTOYNKB-WHOHXGKFSA-N 2 1 228.336 -0.246 20 0 BBADMP C[NH+]1CC[C@H]2C[N@@H+](C[C@@H](O)CO)CC[C@@H]21 ZINC000931546551 634576918 /nfs/dbraw/zinc/57/69/18/634576918.db2.gz LWBFEBNIJSGQKL-AXFHLTTASA-N 2 1 214.309 -0.634 20 0 BBADMP C[NH+]1CC[C@H]2C[N@H+](C[C@@H](O)CO)CC[C@@H]21 ZINC000931546551 634576913 /nfs/dbraw/zinc/57/69/13/634576913.db2.gz LWBFEBNIJSGQKL-AXFHLTTASA-N 2 1 214.309 -0.634 20 0 BBADMP C[N@H+]1CC[C@H]2C[NH+](C[C@@H](O)CO)CC[C@@H]21 ZINC000931546551 634576902 /nfs/dbraw/zinc/57/69/02/634576902.db2.gz LWBFEBNIJSGQKL-AXFHLTTASA-N 2 1 214.309 -0.634 20 0 BBADMP C[N@@H+]1CC[C@H]2C[NH+](C[C@@H](O)CO)CC[C@@H]21 ZINC000931546551 634576895 /nfs/dbraw/zinc/57/68/95/634576895.db2.gz LWBFEBNIJSGQKL-AXFHLTTASA-N 2 1 214.309 -0.634 20 0 BBADMP C[NH+]1CC[C@H]2C[N@@H+](C[C@H](O)CO)CC[C@@H]21 ZINC000931546552 634577558 /nfs/dbraw/zinc/57/75/58/634577558.db2.gz LWBFEBNIJSGQKL-DCAQKATOSA-N 2 1 214.309 -0.634 20 0 BBADMP C[NH+]1CC[C@H]2C[N@H+](C[C@H](O)CO)CC[C@@H]21 ZINC000931546552 634577552 /nfs/dbraw/zinc/57/75/52/634577552.db2.gz LWBFEBNIJSGQKL-DCAQKATOSA-N 2 1 214.309 -0.634 20 0 BBADMP C[N@H+]1CC[C@H]2C[NH+](C[C@H](O)CO)CC[C@@H]21 ZINC000931546552 634577546 /nfs/dbraw/zinc/57/75/46/634577546.db2.gz LWBFEBNIJSGQKL-DCAQKATOSA-N 2 1 214.309 -0.634 20 0 BBADMP C[N@@H+]1CC[C@H]2C[NH+](C[C@H](O)CO)CC[C@@H]21 ZINC000931546552 634577539 /nfs/dbraw/zinc/57/75/39/634577539.db2.gz LWBFEBNIJSGQKL-DCAQKATOSA-N 2 1 214.309 -0.634 20 0 BBADMP C[NH+]1CC[C@H]2C[N@@H+](C[C@H](O)CO)CC[C@H]21 ZINC000931546553 634576000 /nfs/dbraw/zinc/57/60/00/634576000.db2.gz LWBFEBNIJSGQKL-GARJFASQSA-N 2 1 214.309 -0.634 20 0 BBADMP C[NH+]1CC[C@H]2C[N@H+](C[C@H](O)CO)CC[C@H]21 ZINC000931546553 634575992 /nfs/dbraw/zinc/57/59/92/634575992.db2.gz LWBFEBNIJSGQKL-GARJFASQSA-N 2 1 214.309 -0.634 20 0 BBADMP C[N@H+]1CC[C@H]2C[NH+](C[C@H](O)CO)CC[C@H]21 ZINC000931546553 634575985 /nfs/dbraw/zinc/57/59/85/634575985.db2.gz LWBFEBNIJSGQKL-GARJFASQSA-N 2 1 214.309 -0.634 20 0 BBADMP C[N@@H+]1CC[C@H]2C[NH+](C[C@H](O)CO)CC[C@H]21 ZINC000931546553 634575975 /nfs/dbraw/zinc/57/59/75/634575975.db2.gz LWBFEBNIJSGQKL-GARJFASQSA-N 2 1 214.309 -0.634 20 0 BBADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)CO)CC[C@H]21 ZINC000931546554 634576174 /nfs/dbraw/zinc/57/61/74/634576174.db2.gz LWBFEBNIJSGQKL-GMTAPVOTSA-N 2 1 214.309 -0.634 20 0 BBADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)CO)CC[C@H]21 ZINC000931546554 634576166 /nfs/dbraw/zinc/57/61/66/634576166.db2.gz LWBFEBNIJSGQKL-GMTAPVOTSA-N 2 1 214.309 -0.634 20 0 BBADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)CO)CC[C@H]21 ZINC000931546554 634576160 /nfs/dbraw/zinc/57/61/60/634576160.db2.gz LWBFEBNIJSGQKL-GMTAPVOTSA-N 2 1 214.309 -0.634 20 0 BBADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)CO)CC[C@H]21 ZINC000931546554 634576153 /nfs/dbraw/zinc/57/61/53/634576153.db2.gz LWBFEBNIJSGQKL-GMTAPVOTSA-N 2 1 214.309 -0.634 20 0 BBADMP C[NH+]1CC[C@H]2C[N@@H+](C[C@@H](O)CO)CC[C@H]21 ZINC000931546555 634577402 /nfs/dbraw/zinc/57/74/02/634577402.db2.gz LWBFEBNIJSGQKL-HBNTYKKESA-N 2 1 214.309 -0.634 20 0 BBADMP C[NH+]1CC[C@H]2C[N@H+](C[C@@H](O)CO)CC[C@H]21 ZINC000931546555 634577395 /nfs/dbraw/zinc/57/73/95/634577395.db2.gz LWBFEBNIJSGQKL-HBNTYKKESA-N 2 1 214.309 -0.634 20 0 BBADMP C[N@H+]1CC[C@H]2C[NH+](C[C@@H](O)CO)CC[C@H]21 ZINC000931546555 634577388 /nfs/dbraw/zinc/57/73/88/634577388.db2.gz LWBFEBNIJSGQKL-HBNTYKKESA-N 2 1 214.309 -0.634 20 0 BBADMP C[N@@H+]1CC[C@H]2C[NH+](C[C@@H](O)CO)CC[C@H]21 ZINC000931546555 634577381 /nfs/dbraw/zinc/57/73/81/634577381.db2.gz LWBFEBNIJSGQKL-HBNTYKKESA-N 2 1 214.309 -0.634 20 0 BBADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)CO)CC[C@@H]21 ZINC000931546556 634576671 /nfs/dbraw/zinc/57/66/71/634576671.db2.gz LWBFEBNIJSGQKL-MXWKQRLJSA-N 2 1 214.309 -0.634 20 0 BBADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)CO)CC[C@@H]21 ZINC000931546556 634576664 /nfs/dbraw/zinc/57/66/64/634576664.db2.gz LWBFEBNIJSGQKL-MXWKQRLJSA-N 2 1 214.309 -0.634 20 0 BBADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)CO)CC[C@@H]21 ZINC000931546556 634576654 /nfs/dbraw/zinc/57/66/54/634576654.db2.gz LWBFEBNIJSGQKL-MXWKQRLJSA-N 2 1 214.309 -0.634 20 0 BBADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)CO)CC[C@@H]21 ZINC000931546556 634576648 /nfs/dbraw/zinc/57/66/48/634576648.db2.gz LWBFEBNIJSGQKL-MXWKQRLJSA-N 2 1 214.309 -0.634 20 0 BBADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)CO)CC[C@H]21 ZINC000931546557 634575538 /nfs/dbraw/zinc/57/55/38/634575538.db2.gz LWBFEBNIJSGQKL-OUAUKWLOSA-N 2 1 214.309 -0.634 20 0 BBADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)CO)CC[C@H]21 ZINC000931546557 634575533 /nfs/dbraw/zinc/57/55/33/634575533.db2.gz LWBFEBNIJSGQKL-OUAUKWLOSA-N 2 1 214.309 -0.634 20 0 BBADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)CO)CC[C@H]21 ZINC000931546557 634575528 /nfs/dbraw/zinc/57/55/28/634575528.db2.gz LWBFEBNIJSGQKL-OUAUKWLOSA-N 2 1 214.309 -0.634 20 0 BBADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)CO)CC[C@H]21 ZINC000931546557 634575524 /nfs/dbraw/zinc/57/55/24/634575524.db2.gz LWBFEBNIJSGQKL-OUAUKWLOSA-N 2 1 214.309 -0.634 20 0 BBADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)CO)CC[C@@H]21 ZINC000931546558 634577593 /nfs/dbraw/zinc/57/75/93/634577593.db2.gz LWBFEBNIJSGQKL-VWYCJHECSA-N 2 1 214.309 -0.634 20 0 BBADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)CO)CC[C@@H]21 ZINC000931546558 634577590 /nfs/dbraw/zinc/57/75/90/634577590.db2.gz LWBFEBNIJSGQKL-VWYCJHECSA-N 2 1 214.309 -0.634 20 0 BBADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)CO)CC[C@@H]21 ZINC000931546558 634577584 /nfs/dbraw/zinc/57/75/84/634577584.db2.gz LWBFEBNIJSGQKL-VWYCJHECSA-N 2 1 214.309 -0.634 20 0 BBADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)CO)CC[C@@H]21 ZINC000931546558 634577577 /nfs/dbraw/zinc/57/75/77/634577577.db2.gz LWBFEBNIJSGQKL-VWYCJHECSA-N 2 1 214.309 -0.634 20 0 BBADMP CC[C@H](CO)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000931775280 640368419 /nfs/dbraw/zinc/36/84/19/640368419.db2.gz VGXVSGBDDHAAHX-LLVKDONJSA-N 2 1 243.351 -0.489 20 0 BBADMP CC[C@@H](CO)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000931775281 640369700 /nfs/dbraw/zinc/36/97/00/640369700.db2.gz VGXVSGBDDHAAHX-NSHDSACASA-N 2 1 243.351 -0.489 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)CCC(N)=O ZINC000932479501 640545888 /nfs/dbraw/zinc/54/58/88/640545888.db2.gz BLFGTSNSQCULRL-JTQLQIEISA-N 2 1 231.340 -0.504 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)CCC(N)=O ZINC000932479501 640545882 /nfs/dbraw/zinc/54/58/82/640545882.db2.gz BLFGTSNSQCULRL-JTQLQIEISA-N 2 1 231.340 -0.504 20 0 BBADMP CC[NH+](CCC(N)=O)C[C@@H](O)C[N@H+](C)CC ZINC000932479501 640545878 /nfs/dbraw/zinc/54/58/78/640545878.db2.gz BLFGTSNSQCULRL-JTQLQIEISA-N 2 1 231.340 -0.504 20 0 BBADMP CC[NH+](CCC(N)=O)C[C@@H](O)C[N@@H+](C)CC ZINC000932479501 640545872 /nfs/dbraw/zinc/54/58/72/640545872.db2.gz BLFGTSNSQCULRL-JTQLQIEISA-N 2 1 231.340 -0.504 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)CCC(N)=O ZINC000932479502 640546644 /nfs/dbraw/zinc/54/66/44/640546644.db2.gz BLFGTSNSQCULRL-SNVBAGLBSA-N 2 1 231.340 -0.504 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)CCC(N)=O ZINC000932479502 640546634 /nfs/dbraw/zinc/54/66/34/640546634.db2.gz BLFGTSNSQCULRL-SNVBAGLBSA-N 2 1 231.340 -0.504 20 0 BBADMP CC[NH+](CCC(N)=O)C[C@H](O)C[N@H+](C)CC ZINC000932479502 640546630 /nfs/dbraw/zinc/54/66/30/640546630.db2.gz BLFGTSNSQCULRL-SNVBAGLBSA-N 2 1 231.340 -0.504 20 0 BBADMP CC[NH+](CCC(N)=O)C[C@H](O)C[N@@H+](C)CC ZINC000932479502 640546625 /nfs/dbraw/zinc/54/66/25/640546625.db2.gz BLFGTSNSQCULRL-SNVBAGLBSA-N 2 1 231.340 -0.504 20 0 BBADMP CC[NH+](CCC(N)=O)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000932480232 640550117 /nfs/dbraw/zinc/55/01/17/640550117.db2.gz UCDODCHXHOONBP-LLVKDONJSA-N 2 1 243.351 -0.361 20 0 BBADMP CC[NH+](CCC(N)=O)C[C@H](O)C[N@H+](C)C1CC1 ZINC000932480232 640550111 /nfs/dbraw/zinc/55/01/11/640550111.db2.gz UCDODCHXHOONBP-LLVKDONJSA-N 2 1 243.351 -0.361 20 0 BBADMP CC[N@@H+](CCC(N)=O)C[C@H](O)C[NH+](C)C1CC1 ZINC000932480232 640550108 /nfs/dbraw/zinc/55/01/08/640550108.db2.gz UCDODCHXHOONBP-LLVKDONJSA-N 2 1 243.351 -0.361 20 0 BBADMP CC[N@H+](CCC(N)=O)C[C@H](O)C[NH+](C)C1CC1 ZINC000932480232 640550101 /nfs/dbraw/zinc/55/01/01/640550101.db2.gz UCDODCHXHOONBP-LLVKDONJSA-N 2 1 243.351 -0.361 20 0 BBADMP CC[NH+](CCC(N)=O)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000932480233 640548825 /nfs/dbraw/zinc/54/88/25/640548825.db2.gz UCDODCHXHOONBP-NSHDSACASA-N 2 1 243.351 -0.361 20 0 BBADMP CC[NH+](CCC(N)=O)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000932480233 640548819 /nfs/dbraw/zinc/54/88/19/640548819.db2.gz UCDODCHXHOONBP-NSHDSACASA-N 2 1 243.351 -0.361 20 0 BBADMP CC[N@@H+](CCC(N)=O)C[C@@H](O)C[NH+](C)C1CC1 ZINC000932480233 640548816 /nfs/dbraw/zinc/54/88/16/640548816.db2.gz UCDODCHXHOONBP-NSHDSACASA-N 2 1 243.351 -0.361 20 0 BBADMP CC[N@H+](CCC(N)=O)C[C@@H](O)C[NH+](C)C1CC1 ZINC000932480233 640548814 /nfs/dbraw/zinc/54/88/14/640548814.db2.gz UCDODCHXHOONBP-NSHDSACASA-N 2 1 243.351 -0.361 20 0 BBADMP CC[NH+](CCC(N)=O)C[C@H](O)C[N@@H+](C)C(C)C ZINC000932480264 640549951 /nfs/dbraw/zinc/54/99/51/640549951.db2.gz VEEKMQNBYYTAEW-LLVKDONJSA-N 2 1 245.367 -0.115 20 0 BBADMP CC[NH+](CCC(N)=O)C[C@H](O)C[N@H+](C)C(C)C ZINC000932480264 640549946 /nfs/dbraw/zinc/54/99/46/640549946.db2.gz VEEKMQNBYYTAEW-LLVKDONJSA-N 2 1 245.367 -0.115 20 0 BBADMP CC[N@@H+](CCC(N)=O)C[C@H](O)C[NH+](C)C(C)C ZINC000932480264 640549940 /nfs/dbraw/zinc/54/99/40/640549940.db2.gz VEEKMQNBYYTAEW-LLVKDONJSA-N 2 1 245.367 -0.115 20 0 BBADMP CC[N@H+](CCC(N)=O)C[C@H](O)C[NH+](C)C(C)C ZINC000932480264 640549936 /nfs/dbraw/zinc/54/99/36/640549936.db2.gz VEEKMQNBYYTAEW-LLVKDONJSA-N 2 1 245.367 -0.115 20 0 BBADMP CC[NH+](CCC(N)=O)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000932480265 640549038 /nfs/dbraw/zinc/54/90/38/640549038.db2.gz VEEKMQNBYYTAEW-NSHDSACASA-N 2 1 245.367 -0.115 20 0 BBADMP CC[NH+](CCC(N)=O)C[C@@H](O)C[N@H+](C)C(C)C ZINC000932480265 640549034 /nfs/dbraw/zinc/54/90/34/640549034.db2.gz VEEKMQNBYYTAEW-NSHDSACASA-N 2 1 245.367 -0.115 20 0 BBADMP CC[N@@H+](CCC(N)=O)C[C@@H](O)C[NH+](C)C(C)C ZINC000932480265 640549029 /nfs/dbraw/zinc/54/90/29/640549029.db2.gz VEEKMQNBYYTAEW-NSHDSACASA-N 2 1 245.367 -0.115 20 0 BBADMP CC[N@H+](CCC(N)=O)C[C@@H](O)C[NH+](C)C(C)C ZINC000932480265 640549025 /nfs/dbraw/zinc/54/90/25/640549025.db2.gz VEEKMQNBYYTAEW-NSHDSACASA-N 2 1 245.367 -0.115 20 0 BBADMP CC[N@@H+](CCC(N)=O)C[C@@H](O)C[NH+]1CCCC1 ZINC000932482256 640550623 /nfs/dbraw/zinc/55/06/23/640550623.db2.gz MEGLVFOOKHPACY-LLVKDONJSA-N 2 1 243.351 -0.360 20 0 BBADMP CC[N@H+](CCC(N)=O)C[C@@H](O)C[NH+]1CCCC1 ZINC000932482256 640550621 /nfs/dbraw/zinc/55/06/21/640550621.db2.gz MEGLVFOOKHPACY-LLVKDONJSA-N 2 1 243.351 -0.360 20 0 BBADMP CC[N@@H+](CCC(N)=O)C[C@H](O)C[NH+]1CCCC1 ZINC000932482258 640549173 /nfs/dbraw/zinc/54/91/73/640549173.db2.gz MEGLVFOOKHPACY-NSHDSACASA-N 2 1 243.351 -0.360 20 0 BBADMP CC[N@H+](CCC(N)=O)C[C@H](O)C[NH+]1CCCC1 ZINC000932482258 640549167 /nfs/dbraw/zinc/54/91/67/640549167.db2.gz MEGLVFOOKHPACY-NSHDSACASA-N 2 1 243.351 -0.360 20 0 BBADMP COC[C@@H](O)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933731716 640753811 /nfs/dbraw/zinc/75/38/11/640753811.db2.gz FXYJRFGNCFSDOG-SDDRHHMPSA-N 2 1 228.336 -0.123 20 0 BBADMP C[C@H](O)[C@@H](O)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933732913 640760560 /nfs/dbraw/zinc/76/05/60/640760560.db2.gz DLVFPXOAHZHEIB-FIQHERPVSA-N 2 1 228.336 -0.388 20 0 BBADMP C[C@H](O)[C@@H](O)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933732913 640760544 /nfs/dbraw/zinc/76/05/44/640760544.db2.gz DLVFPXOAHZHEIB-FIQHERPVSA-N 2 1 228.336 -0.388 20 0 BBADMP C[C@H](O)[C@@H](O)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933732913 640760543 /nfs/dbraw/zinc/76/05/43/640760543.db2.gz DLVFPXOAHZHEIB-FIQHERPVSA-N 2 1 228.336 -0.388 20 0 BBADMP C[C@H](O)[C@@H](O)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933732913 640760539 /nfs/dbraw/zinc/76/05/39/640760539.db2.gz DLVFPXOAHZHEIB-FIQHERPVSA-N 2 1 228.336 -0.388 20 0 BBADMP C[C@H](O)[C@H](O)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933732928 640759114 /nfs/dbraw/zinc/75/91/14/640759114.db2.gz DLVFPXOAHZHEIB-NNYUYHANSA-N 2 1 228.336 -0.388 20 0 BBADMP C[C@H](O)[C@H](O)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933732928 640759109 /nfs/dbraw/zinc/75/91/09/640759109.db2.gz DLVFPXOAHZHEIB-NNYUYHANSA-N 2 1 228.336 -0.388 20 0 BBADMP C[C@H](O)[C@H](O)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933732928 640759102 /nfs/dbraw/zinc/75/91/02/640759102.db2.gz DLVFPXOAHZHEIB-NNYUYHANSA-N 2 1 228.336 -0.388 20 0 BBADMP C[C@H](O)[C@H](O)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933732928 640759094 /nfs/dbraw/zinc/75/90/94/640759094.db2.gz DLVFPXOAHZHEIB-NNYUYHANSA-N 2 1 228.336 -0.388 20 0 BBADMP C[C@@H](O)[C@@H](O)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933732930 640756564 /nfs/dbraw/zinc/75/65/64/640756564.db2.gz DLVFPXOAHZHEIB-NOOOWODRSA-N 2 1 228.336 -0.388 20 0 BBADMP C[C@@H](O)[C@@H](O)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933732930 640756558 /nfs/dbraw/zinc/75/65/58/640756558.db2.gz DLVFPXOAHZHEIB-NOOOWODRSA-N 2 1 228.336 -0.388 20 0 BBADMP C[C@@H](O)[C@@H](O)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933732930 640756553 /nfs/dbraw/zinc/75/65/53/640756553.db2.gz DLVFPXOAHZHEIB-NOOOWODRSA-N 2 1 228.336 -0.388 20 0 BBADMP C[C@@H](O)[C@@H](O)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933732930 640756548 /nfs/dbraw/zinc/75/65/48/640756548.db2.gz DLVFPXOAHZHEIB-NOOOWODRSA-N 2 1 228.336 -0.388 20 0 BBADMP C[C@@H](O)[C@H](O)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933732932 640760632 /nfs/dbraw/zinc/76/06/32/640760632.db2.gz DLVFPXOAHZHEIB-WRWGMCAJSA-N 2 1 228.336 -0.388 20 0 BBADMP C[C@@H](O)[C@H](O)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933732932 640760631 /nfs/dbraw/zinc/76/06/31/640760631.db2.gz DLVFPXOAHZHEIB-WRWGMCAJSA-N 2 1 228.336 -0.388 20 0 BBADMP C[C@@H](O)[C@H](O)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933732932 640760627 /nfs/dbraw/zinc/76/06/27/640760627.db2.gz DLVFPXOAHZHEIB-WRWGMCAJSA-N 2 1 228.336 -0.388 20 0 BBADMP C[C@@H](O)[C@H](O)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933732932 640760624 /nfs/dbraw/zinc/76/06/24/640760624.db2.gz DLVFPXOAHZHEIB-WRWGMCAJSA-N 2 1 228.336 -0.388 20 0 BBADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@]2(C)C1 ZINC000933740112 640756944 /nfs/dbraw/zinc/75/69/44/640756944.db2.gz PSKZCQJYFRFLOK-FOGDFJRCSA-N 2 1 223.320 -0.242 20 0 BBADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@]2(C)C1 ZINC000933740112 640756940 /nfs/dbraw/zinc/75/69/40/640756940.db2.gz PSKZCQJYFRFLOK-FOGDFJRCSA-N 2 1 223.320 -0.242 20 0 BBADMP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCNC3=O)C[C@]2(C)C1 ZINC000933740112 640756933 /nfs/dbraw/zinc/75/69/33/640756933.db2.gz PSKZCQJYFRFLOK-FOGDFJRCSA-N 2 1 223.320 -0.242 20 0 BBADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCNC3=O)C[C@]2(C)C1 ZINC000933740112 640756925 /nfs/dbraw/zinc/75/69/25/640756925.db2.gz PSKZCQJYFRFLOK-FOGDFJRCSA-N 2 1 223.320 -0.242 20 0 BBADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@]2(C)C1 ZINC000933740119 640759353 /nfs/dbraw/zinc/75/93/53/640759353.db2.gz PSKZCQJYFRFLOK-SCVCMEIPSA-N 2 1 223.320 -0.242 20 0 BBADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@]2(C)C1 ZINC000933740119 640759350 /nfs/dbraw/zinc/75/93/50/640759350.db2.gz PSKZCQJYFRFLOK-SCVCMEIPSA-N 2 1 223.320 -0.242 20 0 BBADMP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCNC3=O)C[C@]2(C)C1 ZINC000933740119 640759345 /nfs/dbraw/zinc/75/93/45/640759345.db2.gz PSKZCQJYFRFLOK-SCVCMEIPSA-N 2 1 223.320 -0.242 20 0 BBADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCNC3=O)C[C@]2(C)C1 ZINC000933740119 640759343 /nfs/dbraw/zinc/75/93/43/640759343.db2.gz PSKZCQJYFRFLOK-SCVCMEIPSA-N 2 1 223.320 -0.242 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)CCC(=O)NC ZINC000933861609 640774990 /nfs/dbraw/zinc/77/49/90/640774990.db2.gz DJGCJDJGKFJQHK-LLVKDONJSA-N 2 1 245.367 -0.243 20 0 BBADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)CCC(=O)NC ZINC000933861609 640774985 /nfs/dbraw/zinc/77/49/85/640774985.db2.gz DJGCJDJGKFJQHK-LLVKDONJSA-N 2 1 245.367 -0.243 20 0 BBADMP CC[NH+](CCC(=O)NC)C[C@H](O)C[N@H+](C)CC ZINC000933861609 640774980 /nfs/dbraw/zinc/77/49/80/640774980.db2.gz DJGCJDJGKFJQHK-LLVKDONJSA-N 2 1 245.367 -0.243 20 0 BBADMP CC[NH+](CCC(=O)NC)C[C@H](O)C[N@@H+](C)CC ZINC000933861609 640774975 /nfs/dbraw/zinc/77/49/75/640774975.db2.gz DJGCJDJGKFJQHK-LLVKDONJSA-N 2 1 245.367 -0.243 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)CCC(=O)NC ZINC000933861610 640774727 /nfs/dbraw/zinc/77/47/27/640774727.db2.gz DJGCJDJGKFJQHK-NSHDSACASA-N 2 1 245.367 -0.243 20 0 BBADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)CCC(=O)NC ZINC000933861610 640774724 /nfs/dbraw/zinc/77/47/24/640774724.db2.gz DJGCJDJGKFJQHK-NSHDSACASA-N 2 1 245.367 -0.243 20 0 BBADMP CC[NH+](CCC(=O)NC)C[C@@H](O)C[N@H+](C)CC ZINC000933861610 640774722 /nfs/dbraw/zinc/77/47/22/640774722.db2.gz DJGCJDJGKFJQHK-NSHDSACASA-N 2 1 245.367 -0.243 20 0 BBADMP CC[NH+](CCC(=O)NC)C[C@@H](O)C[N@@H+](C)CC ZINC000933861610 640774721 /nfs/dbraw/zinc/77/47/21/640774721.db2.gz DJGCJDJGKFJQHK-NSHDSACASA-N 2 1 245.367 -0.243 20 0 BBADMP OC[C@@H]1CC[NH+]1C/C=C/C[N@@H+]1CC[C@H]1CO ZINC000934010813 640806865 /nfs/dbraw/zinc/80/68/65/640806865.db2.gz HNAMSHSUUIPBNQ-NLMOASMRSA-N 2 1 226.320 -0.324 20 0 BBADMP OC[C@H]1CC[NH+]1C/C=C\C[N@H+]1CC[C@H]1CO ZINC000934010817 640806395 /nfs/dbraw/zinc/80/63/95/640806395.db2.gz HNAMSHSUUIPBNQ-ZLLARURESA-N 2 1 226.320 -0.324 20 0 BBADMP OC[C@H]1CC[NH+]1C/C=C\C[N@@H+]1CC[C@H]1CO ZINC000934010817 640806392 /nfs/dbraw/zinc/80/63/92/640806392.db2.gz HNAMSHSUUIPBNQ-ZLLARURESA-N 2 1 226.320 -0.324 20 0 BBADMP OC[C@@H]1CC[NH+]1C/C=C\C[N@@H+]1CC[C@H]1CO ZINC000934010819 640806890 /nfs/dbraw/zinc/80/68/90/640806890.db2.gz HNAMSHSUUIPBNQ-ZMCHVJTCSA-N 2 1 226.320 -0.324 20 0 BBADMP OC[C@H]1CC[N@H+]1C/C=C/C[NH+]1CC[C@H]1CO ZINC000934010820 640801138 /nfs/dbraw/zinc/80/11/38/640801138.db2.gz HNAMSHSUUIPBNQ-ZRGSSGQVSA-N 2 1 226.320 -0.324 20 0 BBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H]2CO)CC1 ZINC000934014423 631599579 /nfs/dbraw/zinc/59/95/79/631599579.db2.gz MQJSSIAJNLDCSB-LLVKDONJSA-N 2 1 241.335 -0.783 20 0 BBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H]2CO)CC1 ZINC000934014423 631599573 /nfs/dbraw/zinc/59/95/73/631599573.db2.gz MQJSSIAJNLDCSB-LLVKDONJSA-N 2 1 241.335 -0.783 20 0 BBADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H]2CO)CC1 ZINC000934014428 631598483 /nfs/dbraw/zinc/59/84/83/631598483.db2.gz MQJSSIAJNLDCSB-NSHDSACASA-N 2 1 241.335 -0.783 20 0 BBADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H]2CO)CC1 ZINC000934014428 631598472 /nfs/dbraw/zinc/59/84/72/631598472.db2.gz MQJSSIAJNLDCSB-NSHDSACASA-N 2 1 241.335 -0.783 20 0 BBADMP OC[C@@H]1CC[NH+]1CCOCC[N@@H+]1CC[C@H]1CO ZINC000934015666 631611660 /nfs/dbraw/zinc/61/16/60/631611660.db2.gz GELFRDGYIIACNT-RYUDHWBXSA-N 2 1 244.335 -0.864 20 0 BBADMP OC[C@H]1CC[NH+]1CCOCC[N@H+]1CC[C@H]1CO ZINC000934015672 631611898 /nfs/dbraw/zinc/61/18/98/631611898.db2.gz GELFRDGYIIACNT-TXEJJXNPSA-N 2 1 244.335 -0.864 20 0 BBADMP OC[C@H]1CC[NH+]1CCOCC[N@@H+]1CC[C@H]1CO ZINC000934015672 631611894 /nfs/dbraw/zinc/61/18/94/631611894.db2.gz GELFRDGYIIACNT-TXEJJXNPSA-N 2 1 244.335 -0.864 20 0 BBADMP OC[C@H]1CC[N@H+]1CCOCC[NH+]1CC[C@H]1CO ZINC000934015672 631611888 /nfs/dbraw/zinc/61/18/88/631611888.db2.gz GELFRDGYIIACNT-TXEJJXNPSA-N 2 1 244.335 -0.864 20 0 BBADMP OC[C@H]1CC[NH+]1CCOCC[N@@H+]1CC[C@@H]1CO ZINC000934015676 631611070 /nfs/dbraw/zinc/61/10/70/631611070.db2.gz GELFRDGYIIACNT-VXGBXAGGSA-N 2 1 244.335 -0.864 20 0 BBADMP OC[C@@H]1CC[NH+]1CCCC[N@@H+]1CC[C@H]1CO ZINC000934016182 631610306 /nfs/dbraw/zinc/61/03/06/631610306.db2.gz LDUQHPMRRLWNQM-RYUDHWBXSA-N 2 1 228.336 -0.100 20 0 BBADMP OC[C@H]1CC[NH+]1CCCC[N@H+]1CC[C@H]1CO ZINC000934016183 631611973 /nfs/dbraw/zinc/61/19/73/631611973.db2.gz LDUQHPMRRLWNQM-TXEJJXNPSA-N 2 1 228.336 -0.100 20 0 BBADMP OC[C@H]1CC[NH+]1CCCC[N@@H+]1CC[C@H]1CO ZINC000934016183 631611971 /nfs/dbraw/zinc/61/19/71/631611971.db2.gz LDUQHPMRRLWNQM-TXEJJXNPSA-N 2 1 228.336 -0.100 20 0 BBADMP OC[C@H]1CC[N@H+]1CCCC[NH+]1CC[C@H]1CO ZINC000934016183 631611964 /nfs/dbraw/zinc/61/19/64/631611964.db2.gz LDUQHPMRRLWNQM-TXEJJXNPSA-N 2 1 228.336 -0.100 20 0 BBADMP OC[C@H]1CC[NH+]1CCCC[N@@H+]1CC[C@@H]1CO ZINC000934016184 631611766 /nfs/dbraw/zinc/61/17/66/631611766.db2.gz LDUQHPMRRLWNQM-VXGBXAGGSA-N 2 1 228.336 -0.100 20 0 BBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000967709165 642802379 /nfs/dbraw/zinc/80/23/79/642802379.db2.gz XOMZFSFKRSBDOM-GHMZBOCLSA-N 2 1 241.335 -0.737 20 0 BBADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000967709166 642801941 /nfs/dbraw/zinc/80/19/41/642801941.db2.gz XOMZFSFKRSBDOM-MNOVXSKESA-N 2 1 241.335 -0.737 20 0 BBADMP CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000968304625 642806662 /nfs/dbraw/zinc/80/66/62/642806662.db2.gz YNZSPSSHJJURPB-GHMZBOCLSA-N 2 1 241.335 -0.473 20 0 BBADMP CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000968304625 642806661 /nfs/dbraw/zinc/80/66/61/642806661.db2.gz YNZSPSSHJJURPB-GHMZBOCLSA-N 2 1 241.335 -0.473 20 0 BBADMP CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000968304627 642806570 /nfs/dbraw/zinc/80/65/70/642806570.db2.gz YNZSPSSHJJURPB-MNOVXSKESA-N 2 1 241.335 -0.473 20 0 BBADMP CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000968304627 642806568 /nfs/dbraw/zinc/80/65/68/642806568.db2.gz YNZSPSSHJJURPB-MNOVXSKESA-N 2 1 241.335 -0.473 20 0 BBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CCO)C2)C1 ZINC000970715543 643512985 /nfs/dbraw/zinc/51/29/85/643512985.db2.gz YRCYZYIGUCOQLG-GHMZBOCLSA-N 2 1 241.335 -0.879 20 0 BBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CCO)C2)C1 ZINC000970715544 643513226 /nfs/dbraw/zinc/51/32/26/643513226.db2.gz YRCYZYIGUCOQLG-WDEREUQCSA-N 2 1 241.335 -0.879 20 0 BBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001010381525 642863473 /nfs/dbraw/zinc/86/34/73/642863473.db2.gz BAYJCAJKAZNJEH-GHMZBOCLSA-N 2 1 241.335 -0.737 20 0 BBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001010381525 642863469 /nfs/dbraw/zinc/86/34/69/642863469.db2.gz BAYJCAJKAZNJEH-GHMZBOCLSA-N 2 1 241.335 -0.737 20 0 BBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCO)C1 ZINC001010381525 642863466 /nfs/dbraw/zinc/86/34/66/642863466.db2.gz BAYJCAJKAZNJEH-GHMZBOCLSA-N 2 1 241.335 -0.737 20 0 BBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001010381526 642862829 /nfs/dbraw/zinc/86/28/29/642862829.db2.gz BAYJCAJKAZNJEH-MNOVXSKESA-N 2 1 241.335 -0.737 20 0 BBADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001010381526 642862827 /nfs/dbraw/zinc/86/28/27/642862827.db2.gz BAYJCAJKAZNJEH-MNOVXSKESA-N 2 1 241.335 -0.737 20 0 BBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCO)C1 ZINC001010381526 642862824 /nfs/dbraw/zinc/86/28/24/642862824.db2.gz BAYJCAJKAZNJEH-MNOVXSKESA-N 2 1 241.335 -0.737 20 0 BBADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001010381527 642861911 /nfs/dbraw/zinc/86/19/11/642861911.db2.gz BAYJCAJKAZNJEH-QWRGUYRKSA-N 2 1 241.335 -0.737 20 0 BBADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001010381527 642861904 /nfs/dbraw/zinc/86/19/04/642861904.db2.gz BAYJCAJKAZNJEH-QWRGUYRKSA-N 2 1 241.335 -0.737 20 0 BBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCO)C1 ZINC001010381527 642861900 /nfs/dbraw/zinc/86/19/00/642861900.db2.gz BAYJCAJKAZNJEH-QWRGUYRKSA-N 2 1 241.335 -0.737 20 0 BBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001010381528 642863936 /nfs/dbraw/zinc/86/39/36/642863936.db2.gz BAYJCAJKAZNJEH-WDEREUQCSA-N 2 1 241.335 -0.737 20 0 BBADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001010381528 642863934 /nfs/dbraw/zinc/86/39/34/642863934.db2.gz BAYJCAJKAZNJEH-WDEREUQCSA-N 2 1 241.335 -0.737 20 0 BBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCO)C1 ZINC001010381528 642863930 /nfs/dbraw/zinc/86/39/30/642863930.db2.gz BAYJCAJKAZNJEH-WDEREUQCSA-N 2 1 241.335 -0.737 20 0 BBADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001016250634 642951914 /nfs/dbraw/zinc/95/19/14/642951914.db2.gz PVCAEMZWXVAEOV-GHMZBOCLSA-N 2 1 241.335 -0.879 20 0 BBADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CCO)C2)C1 ZINC001016250634 642951906 /nfs/dbraw/zinc/95/19/06/642951906.db2.gz PVCAEMZWXVAEOV-GHMZBOCLSA-N 2 1 241.335 -0.879 20 0 BBADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CCO)C2)C1 ZINC001016250635 642956119 /nfs/dbraw/zinc/95/61/19/642956119.db2.gz PVCAEMZWXVAEOV-MNOVXSKESA-N 2 1 241.335 -0.879 20 0 BBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCO)C2)C1 ZINC001016250635 642956107 /nfs/dbraw/zinc/95/61/07/642956107.db2.gz PVCAEMZWXVAEOV-MNOVXSKESA-N 2 1 241.335 -0.879 20 0 BBADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CCO)C2)C1 ZINC001016250636 642954546 /nfs/dbraw/zinc/95/45/46/642954546.db2.gz PVCAEMZWXVAEOV-QWRGUYRKSA-N 2 1 241.335 -0.879 20 0 BBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCO)C2)C1 ZINC001016250636 642954540 /nfs/dbraw/zinc/95/45/40/642954540.db2.gz PVCAEMZWXVAEOV-QWRGUYRKSA-N 2 1 241.335 -0.879 20 0 BBADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001016250637 642950608 /nfs/dbraw/zinc/95/06/08/642950608.db2.gz PVCAEMZWXVAEOV-WDEREUQCSA-N 2 1 241.335 -0.879 20 0 BBADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CCO)C2)C1 ZINC001016250637 642950603 /nfs/dbraw/zinc/95/06/03/642950603.db2.gz PVCAEMZWXVAEOV-WDEREUQCSA-N 2 1 241.335 -0.879 20 0 BBADMP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](CCO)C1 ZINC001016258333 711944665 /nfs/dbraw/zinc/94/46/65/711944665.db2.gz AOEHXSIBYVNNFX-LLVKDONJSA-N 2 1 241.335 -0.735 20 0 BBADMP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](CCO)C1 ZINC001016258338 711944756 /nfs/dbraw/zinc/94/47/56/711944756.db2.gz AOEHXSIBYVNNFX-NSHDSACASA-N 2 1 241.335 -0.735 20 0 BBADMP CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001018665985 643006517 /nfs/dbraw/zinc/00/65/17/643006517.db2.gz YNZSPSSHJJURPB-QWRGUYRKSA-N 2 1 241.335 -0.473 20 0 BBADMP CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001018665985 643006513 /nfs/dbraw/zinc/00/65/13/643006513.db2.gz YNZSPSSHJJURPB-QWRGUYRKSA-N 2 1 241.335 -0.473 20 0 BBADMP CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001018665988 643006692 /nfs/dbraw/zinc/00/66/92/643006692.db2.gz YNZSPSSHJJURPB-WDEREUQCSA-N 2 1 241.335 -0.473 20 0 BBADMP CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001018665988 643006684 /nfs/dbraw/zinc/00/66/84/643006684.db2.gz YNZSPSSHJJURPB-WDEREUQCSA-N 2 1 241.335 -0.473 20 0 BBADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CCO)C2)C1 ZINC001019772981 633790622 /nfs/dbraw/zinc/79/06/22/633790622.db2.gz YRCYZYIGUCOQLG-MNOVXSKESA-N 2 1 241.335 -0.879 20 0 BBADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CCO)C2)C1 ZINC001019772982 633790109 /nfs/dbraw/zinc/79/01/09/633790109.db2.gz YRCYZYIGUCOQLG-QWRGUYRKSA-N 2 1 241.335 -0.879 20 0 BBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020028492 643051754 /nfs/dbraw/zinc/05/17/54/643051754.db2.gz AIHFROKWXOFWJK-DCAQKATOSA-N 2 1 241.335 -0.690 20 0 BBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020028493 643052874 /nfs/dbraw/zinc/05/28/74/643052874.db2.gz AIHFROKWXOFWJK-GMTAPVOTSA-N 2 1 241.335 -0.690 20 0 BBADMP CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001020045554 643054380 /nfs/dbraw/zinc/05/43/80/643054380.db2.gz DSHUQSOTAKFPGX-DCAQKATOSA-N 2 1 241.335 -0.426 20 0 BBADMP CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001020045554 643054376 /nfs/dbraw/zinc/05/43/76/643054376.db2.gz DSHUQSOTAKFPGX-DCAQKATOSA-N 2 1 241.335 -0.426 20 0 BBADMP CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001020045555 643055210 /nfs/dbraw/zinc/05/52/10/643055210.db2.gz DSHUQSOTAKFPGX-GMTAPVOTSA-N 2 1 241.335 -0.426 20 0 BBADMP CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001020045555 643055207 /nfs/dbraw/zinc/05/52/07/643055207.db2.gz DSHUQSOTAKFPGX-GMTAPVOTSA-N 2 1 241.335 -0.426 20 0 BBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001021045013 643396095 /nfs/dbraw/zinc/39/60/95/643396095.db2.gz XEYYOGGUXZJIQO-DCAQKATOSA-N 2 1 241.335 -0.833 20 0 BBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001021045017 643395244 /nfs/dbraw/zinc/39/52/44/643395244.db2.gz XEYYOGGUXZJIQO-GMTAPVOTSA-N 2 1 241.335 -0.833 20 0 BBADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001021904554 642452673 /nfs/dbraw/zinc/45/26/73/642452673.db2.gz AIHFROKWXOFWJK-AXFHLTTASA-N 2 1 241.335 -0.690 20 0 BBADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001021904557 642453112 /nfs/dbraw/zinc/45/31/12/642453112.db2.gz AIHFROKWXOFWJK-OUAUKWLOSA-N 2 1 241.335 -0.690 20 0 BBADMP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001021927400 642461064 /nfs/dbraw/zinc/46/10/64/642461064.db2.gz DSHUQSOTAKFPGX-AXFHLTTASA-N 2 1 241.335 -0.426 20 0 BBADMP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001021927400 642461060 /nfs/dbraw/zinc/46/10/60/642461060.db2.gz DSHUQSOTAKFPGX-AXFHLTTASA-N 2 1 241.335 -0.426 20 0 BBADMP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001021927401 642460392 /nfs/dbraw/zinc/46/03/92/642460392.db2.gz DSHUQSOTAKFPGX-OUAUKWLOSA-N 2 1 241.335 -0.426 20 0 BBADMP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001021927401 642460382 /nfs/dbraw/zinc/46/03/82/642460382.db2.gz DSHUQSOTAKFPGX-OUAUKWLOSA-N 2 1 241.335 -0.426 20 0 BBADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001023086789 632125090 /nfs/dbraw/zinc/12/50/90/632125090.db2.gz XEYYOGGUXZJIQO-GARJFASQSA-N 2 1 241.335 -0.833 20 0 BBADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001023086790 632125255 /nfs/dbraw/zinc/12/52/55/632125255.db2.gz XEYYOGGUXZJIQO-MXWKQRLJSA-N 2 1 241.335 -0.833 20 0 BBADMP C[C@@H]1[C@H](C(=O)NC2CN(CCO)C2)CC[N@H+]1C ZINC001030336778 640770969 /nfs/dbraw/zinc/77/09/69/640770969.db2.gz SFJLTCJURODXTA-MWLCHTKSSA-N 2 1 241.335 -0.881 20 0 BBADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCO)C1 ZINC001031585039 642338819 /nfs/dbraw/zinc/33/88/19/642338819.db2.gz OPTNHERLXHJMAS-LLVKDONJSA-N 2 1 241.335 -0.879 20 0 BBADMP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCO)C1 ZINC001031585040 642339431 /nfs/dbraw/zinc/33/94/31/642339431.db2.gz OPTNHERLXHJMAS-NSHDSACASA-N 2 1 241.335 -0.879 20 0 BBADMP CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031596062 642353326 /nfs/dbraw/zinc/35/33/26/642353326.db2.gz FMABACHCSROWJP-LLVKDONJSA-N 2 1 241.335 -0.615 20 0 BBADMP CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031596062 642353321 /nfs/dbraw/zinc/35/33/21/642353321.db2.gz FMABACHCSROWJP-LLVKDONJSA-N 2 1 241.335 -0.615 20 0 BBADMP CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031596063 642353905 /nfs/dbraw/zinc/35/39/05/642353905.db2.gz FMABACHCSROWJP-NSHDSACASA-N 2 1 241.335 -0.615 20 0 BBADMP CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031596063 642353898 /nfs/dbraw/zinc/35/38/98/642353898.db2.gz FMABACHCSROWJP-NSHDSACASA-N 2 1 241.335 -0.615 20 0 BBADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCO)C1 ZINC001039026796 710716453 /nfs/dbraw/zinc/71/64/53/710716453.db2.gz HWTLFWUNFPEZCJ-GHMZBOCLSA-N 2 1 241.335 -0.879 20 0 BBADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCO)C1 ZINC001039026796 710716450 /nfs/dbraw/zinc/71/64/50/710716450.db2.gz HWTLFWUNFPEZCJ-GHMZBOCLSA-N 2 1 241.335 -0.879 20 0 BBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2CCO)C1 ZINC001039026796 710716447 /nfs/dbraw/zinc/71/64/47/710716447.db2.gz HWTLFWUNFPEZCJ-GHMZBOCLSA-N 2 1 241.335 -0.879 20 0 BBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2CCO)C1 ZINC001039026796 710716441 /nfs/dbraw/zinc/71/64/41/710716441.db2.gz HWTLFWUNFPEZCJ-GHMZBOCLSA-N 2 1 241.335 -0.879 20 0 BBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCO)C1 ZINC001039026797 710717831 /nfs/dbraw/zinc/71/78/31/710717831.db2.gz HWTLFWUNFPEZCJ-MNOVXSKESA-N 2 1 241.335 -0.879 20 0 BBADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCO)C1 ZINC001039026797 710717829 /nfs/dbraw/zinc/71/78/29/710717829.db2.gz HWTLFWUNFPEZCJ-MNOVXSKESA-N 2 1 241.335 -0.879 20 0 BBADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCO)C1 ZINC001039026797 710717827 /nfs/dbraw/zinc/71/78/27/710717827.db2.gz HWTLFWUNFPEZCJ-MNOVXSKESA-N 2 1 241.335 -0.879 20 0 BBADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCO)C1 ZINC001039026797 710717823 /nfs/dbraw/zinc/71/78/23/710717823.db2.gz HWTLFWUNFPEZCJ-MNOVXSKESA-N 2 1 241.335 -0.879 20 0 BBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCO)C1 ZINC001039026798 710717789 /nfs/dbraw/zinc/71/77/89/710717789.db2.gz HWTLFWUNFPEZCJ-QWRGUYRKSA-N 2 1 241.335 -0.879 20 0 BBADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCO)C1 ZINC001039026798 710717786 /nfs/dbraw/zinc/71/77/86/710717786.db2.gz HWTLFWUNFPEZCJ-QWRGUYRKSA-N 2 1 241.335 -0.879 20 0 BBADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2CCO)C1 ZINC001039026798 710717785 /nfs/dbraw/zinc/71/77/85/710717785.db2.gz HWTLFWUNFPEZCJ-QWRGUYRKSA-N 2 1 241.335 -0.879 20 0 BBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2CCO)C1 ZINC001039026798 710717782 /nfs/dbraw/zinc/71/77/82/710717782.db2.gz HWTLFWUNFPEZCJ-QWRGUYRKSA-N 2 1 241.335 -0.879 20 0 BBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2CCO)C1 ZINC001039026799 710717754 /nfs/dbraw/zinc/71/77/54/710717754.db2.gz HWTLFWUNFPEZCJ-WDEREUQCSA-N 2 1 241.335 -0.879 20 0 BBADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCO)C1 ZINC001039026799 710717753 /nfs/dbraw/zinc/71/77/53/710717753.db2.gz HWTLFWUNFPEZCJ-WDEREUQCSA-N 2 1 241.335 -0.879 20 0 BBADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2CCO)C1 ZINC001039026799 710717749 /nfs/dbraw/zinc/71/77/49/710717749.db2.gz HWTLFWUNFPEZCJ-WDEREUQCSA-N 2 1 241.335 -0.879 20 0 BBADMP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2CCO)C1 ZINC001039026799 710717745 /nfs/dbraw/zinc/71/77/45/710717745.db2.gz HWTLFWUNFPEZCJ-WDEREUQCSA-N 2 1 241.335 -0.879 20 0 BBADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078174642 711940675 /nfs/dbraw/zinc/94/06/75/711940675.db2.gz QYFHFRXGXMAKQO-GMTAPVOTSA-N 2 1 241.335 -0.881 20 0 BBADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001078174642 711940672 /nfs/dbraw/zinc/94/06/72/711940672.db2.gz QYFHFRXGXMAKQO-GMTAPVOTSA-N 2 1 241.335 -0.881 20 0 BBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078174642 711940669 /nfs/dbraw/zinc/94/06/69/711940669.db2.gz QYFHFRXGXMAKQO-GMTAPVOTSA-N 2 1 241.335 -0.881 20 0 BBADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001078174643 711940724 /nfs/dbraw/zinc/94/07/24/711940724.db2.gz QYFHFRXGXMAKQO-HBNTYKKESA-N 2 1 241.335 -0.881 20 0 BBADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001078174643 711940722 /nfs/dbraw/zinc/94/07/22/711940722.db2.gz QYFHFRXGXMAKQO-HBNTYKKESA-N 2 1 241.335 -0.881 20 0 BBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078174643 711940718 /nfs/dbraw/zinc/94/07/18/711940718.db2.gz QYFHFRXGXMAKQO-HBNTYKKESA-N 2 1 241.335 -0.881 20 0 BBADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078180132 711940792 /nfs/dbraw/zinc/94/07/92/711940792.db2.gz NZNRRWAGUMIHQX-GHMZBOCLSA-N 2 1 241.335 -0.737 20 0 BBADMP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078180132 711940789 /nfs/dbraw/zinc/94/07/89/711940789.db2.gz NZNRRWAGUMIHQX-GHMZBOCLSA-N 2 1 241.335 -0.737 20 0 BBADMP Nc1cc(N2CCN3CC[NH2+]C[C@@H]3C2)nc[nH+]1 ZINC001164402218 718838501 /nfs/dbraw/zinc/83/85/01/718838501.db2.gz DCUDMHRORFVENC-SECBINFHSA-N 2 1 234.307 -0.847 20 0 BBADMP Nc1cc(N2CCN3CC[NH2+]C[C@H]3C2)nc[nH+]1 ZINC001164402221 718838637 /nfs/dbraw/zinc/83/86/37/718838637.db2.gz DCUDMHRORFVENC-VIFPVBQESA-N 2 1 234.307 -0.847 20 0 BBADMP Nc1nc(N2CCN3CC[NH2+]C[C@@H]3C2)cc[nH+]1 ZINC001164405729 718837569 /nfs/dbraw/zinc/83/75/69/718837569.db2.gz PCHPOEUGUOMAND-SECBINFHSA-N 2 1 234.307 -0.847 20 0 BBADMP Nc1nc(N2CCN3CC[NH2+]C[C@H]3C2)cc[nH+]1 ZINC001164405731 718837414 /nfs/dbraw/zinc/83/74/14/718837414.db2.gz PCHPOEUGUOMAND-VIFPVBQESA-N 2 1 234.307 -0.847 20 0 BBADMP C[N@H+]1CCO[C@H]2CN(c3cc[nH+]c(N)n3)C[C@H]21 ZINC001164666088 719420022 /nfs/dbraw/zinc/42/00/22/719420022.db2.gz BHVXILOERFKCSO-BDAKNGLRSA-N 2 1 235.291 -0.422 20 0 BBADMP C[N@@H+]1CCO[C@H]2CN(c3cc[nH+]c(N)n3)C[C@H]21 ZINC001164666088 719420019 /nfs/dbraw/zinc/42/00/19/719420019.db2.gz BHVXILOERFKCSO-BDAKNGLRSA-N 2 1 235.291 -0.422 20 0 BBADMP C[N@H+]1CCO[C@@H]2CN(c3cc[nH+]c(N)n3)C[C@@H]21 ZINC001164666089 719419334 /nfs/dbraw/zinc/41/93/34/719419334.db2.gz BHVXILOERFKCSO-DTWKUNHWSA-N 2 1 235.291 -0.422 20 0 BBADMP C[N@@H+]1CCO[C@@H]2CN(c3cc[nH+]c(N)n3)C[C@@H]21 ZINC001164666089 719419327 /nfs/dbraw/zinc/41/93/27/719419327.db2.gz BHVXILOERFKCSO-DTWKUNHWSA-N 2 1 235.291 -0.422 20 0 BBADMP C[N@H+]1CCO[C@H]2CN(c3cc[nH+]c(N)n3)C[C@@H]21 ZINC001164666090 719419236 /nfs/dbraw/zinc/41/92/36/719419236.db2.gz BHVXILOERFKCSO-IUCAKERBSA-N 2 1 235.291 -0.422 20 0 BBADMP C[N@@H+]1CCO[C@H]2CN(c3cc[nH+]c(N)n3)C[C@@H]21 ZINC001164666090 719419231 /nfs/dbraw/zinc/41/92/31/719419231.db2.gz BHVXILOERFKCSO-IUCAKERBSA-N 2 1 235.291 -0.422 20 0 BBADMP C[N@H+]1CCO[C@@H]2CN(c3cc[nH+]c(N)n3)C[C@H]21 ZINC001164666091 719420159 /nfs/dbraw/zinc/42/01/59/719420159.db2.gz BHVXILOERFKCSO-RKDXNWHRSA-N 2 1 235.291 -0.422 20 0 BBADMP C[N@@H+]1CCO[C@@H]2CN(c3cc[nH+]c(N)n3)C[C@H]21 ZINC001164666091 719420146 /nfs/dbraw/zinc/42/01/46/719420146.db2.gz BHVXILOERFKCSO-RKDXNWHRSA-N 2 1 235.291 -0.422 20 0 BBADMP C[N@H+]1CCO[C@@H]2CN(c3cc(C[NH3+])ncn3)C[C@H]21 ZINC001164667694 719385196 /nfs/dbraw/zinc/38/51/96/719385196.db2.gz OTAHEUUCAGEXSY-GHMZBOCLSA-N 2 1 249.318 -0.546 20 0 BBADMP C[N@H+]1CCO[C@H]2CN(c3cc(C[NH3+])ncn3)C[C@H]21 ZINC001164667698 719384875 /nfs/dbraw/zinc/38/48/75/719384875.db2.gz OTAHEUUCAGEXSY-MNOVXSKESA-N 2 1 249.318 -0.546 20 0 BBADMP C[N@H+]1CCO[C@H]2CN(c3cc(C[NH3+])ncn3)C[C@@H]21 ZINC001164667699 719385169 /nfs/dbraw/zinc/38/51/69/719385169.db2.gz OTAHEUUCAGEXSY-QWRGUYRKSA-N 2 1 249.318 -0.546 20 0 BBADMP C[N@H+]1CCO[C@@H]2CN(c3cc(C[NH3+])ncn3)C[C@@H]21 ZINC001164667703 719384973 /nfs/dbraw/zinc/38/49/73/719384973.db2.gz OTAHEUUCAGEXSY-WDEREUQCSA-N 2 1 249.318 -0.546 20 0 BBADMP