smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCCC(=O)NCC[NH+]1CCOCC1 ZINC000011755302 181372458 /nfs/dbraw/zinc/37/24/58/181372458.db2.gz SNRCMGJMABEJEJ-UHFFFAOYSA-N 2 2 215.297 -0.826 20 0 BBADLP CC(C)(CNC(=O)C[NH3+])[NH+]1CCOCC1 ZINC000011953483 386320913 /nfs/dbraw/zinc/32/09/13/386320913.db2.gz ZXIPJUQKLMABCT-UHFFFAOYSA-N 2 2 215.297 -0.828 20 0 BBADLP C[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000011953687 342844916 /nfs/dbraw/zinc/84/49/16/342844916.db2.gz GLILCDMAOWNPFS-VIFPVBQESA-N 2 2 229.324 -0.439 20 0 BBADLP CC(C)(CNC(=O)CC[NH3+])[NH+]1CCOCC1 ZINC000011954970 386322626 /nfs/dbraw/zinc/32/26/26/386322626.db2.gz DBZYAIJOYOFPNS-UHFFFAOYSA-N 2 2 229.324 -0.438 20 0 BBADLP CC(C)(CNC(=O)CCC[NH3+])[NH+]1CCOCC1 ZINC000011955168 188058553 /nfs/dbraw/zinc/05/85/53/188058553.db2.gz ZKDMPDGHZZWENV-UHFFFAOYSA-N 2 2 243.351 -0.048 20 0 BBADLP [NH3+]CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000011957085 132320963 /nfs/dbraw/zinc/32/09/63/132320963.db2.gz UBJKOIMUJFXRIC-UHFFFAOYSA-N 2 2 220.276 -0.311 20 0 BBADLP CC(C)[C@H]([NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000011958317 384305216 /nfs/dbraw/zinc/30/52/16/384305216.db2.gz NUOGPFINGLHYKP-JTQLQIEISA-N 2 2 229.324 -0.582 20 0 BBADLP CC(C)C[C@H]([NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000011960918 188058624 /nfs/dbraw/zinc/05/86/24/188058624.db2.gz PGPSBZJWWMIJGA-NSHDSACASA-N 2 2 243.351 -0.192 20 0 BBADLP CNC(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000013694385 173275033 /nfs/dbraw/zinc/27/50/33/173275033.db2.gz LMDQMBPFUXGVOZ-UHFFFAOYSA-N 2 2 237.307 -0.712 20 0 BBADLP C[NH+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000015258550 352306515 /nfs/dbraw/zinc/30/65/15/352306515.db2.gz GRHUWNGSCUQKDR-UHFFFAOYSA-N 2 2 243.351 -0.225 20 0 BBADLP [NH3+]C1CC[NH+](CC(=O)NCC2CC2)CC1 ZINC000019385526 181343621 /nfs/dbraw/zinc/34/36/21/181343621.db2.gz WCPJMKHLWKUFIQ-UHFFFAOYSA-N 2 2 211.309 -0.064 20 0 BBADLP O=C(NCC[NH+]1CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000019410787 182187612 /nfs/dbraw/zinc/18/76/12/182187612.db2.gz CAZMFJULDOUDCL-NSHDSACASA-N 2 2 241.335 -0.423 20 0 BBADLP O=C(NCC[NH+]1CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000019410789 182186484 /nfs/dbraw/zinc/18/64/84/182186484.db2.gz CAZMFJULDOUDCL-LLVKDONJSA-N 2 2 241.335 -0.423 20 0 BBADLP O=C(NCC[NH+]1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000019411760 182187511 /nfs/dbraw/zinc/18/75/11/182187511.db2.gz WSQGIAPXMIIGCY-LLVKDONJSA-N 2 2 241.335 -0.566 20 0 BBADLP C[NH+]1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000019428624 173069779 /nfs/dbraw/zinc/06/97/79/173069779.db2.gz YUCVQQRRJYCFJE-QMMMGPOBSA-N 2 2 215.322 -0.577 20 0 BBADLP C[NH+]1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000019428626 173071597 /nfs/dbraw/zinc/07/15/97/173071597.db2.gz YUCVQQRRJYCFJE-MRVPVSSYSA-N 2 2 215.322 -0.577 20 0 BBADLP C[C@H](C(=O)N1CC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000019433845 355978079 /nfs/dbraw/zinc/97/80/79/355978079.db2.gz NNBPPILUBPJKPG-LLVKDONJSA-N 2 2 240.351 -0.946 20 0 BBADLP C[C@H](C(=O)N1CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC000019433845 355978074 /nfs/dbraw/zinc/97/80/74/355978074.db2.gz NNBPPILUBPJKPG-LLVKDONJSA-N 2 2 240.351 -0.946 20 0 BBADLP C[C@@H](C(=O)N1CC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000019433846 355978336 /nfs/dbraw/zinc/97/83/36/355978336.db2.gz NNBPPILUBPJKPG-NSHDSACASA-N 2 2 240.351 -0.946 20 0 BBADLP C[C@@H](C(=O)N1CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC000019433846 355978334 /nfs/dbraw/zinc/97/83/34/355978334.db2.gz NNBPPILUBPJKPG-NSHDSACASA-N 2 2 240.351 -0.946 20 0 BBADLP CC(C)[C@@H]([NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000019440632 385212517 /nfs/dbraw/zinc/21/25/17/385212517.db2.gz NUOGPFINGLHYKP-SNVBAGLBSA-N 2 2 229.324 -0.582 20 0 BBADLP C[NH+]1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000019489222 173092079 /nfs/dbraw/zinc/09/20/79/173092079.db2.gz ZWBBDVLVPGTPAD-SNVBAGLBSA-N 2 2 247.364 -0.684 20 0 BBADLP C[NH+]1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000019489223 173093547 /nfs/dbraw/zinc/09/35/47/173093547.db2.gz ZWBBDVLVPGTPAD-JTQLQIEISA-N 2 2 247.364 -0.684 20 0 BBADLP CC(C)C[C@@H]([NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000019502971 388741174 /nfs/dbraw/zinc/74/11/74/388741174.db2.gz PGPSBZJWWMIJGA-LLVKDONJSA-N 2 2 243.351 -0.192 20 0 BBADLP [NH3+]CCCCCC(=O)NCC[NH+]1CCOCC1 ZINC000019511613 181373991 /nfs/dbraw/zinc/37/39/91/181373991.db2.gz LKXZWDLEEUNFAJ-UHFFFAOYSA-N 2 2 243.351 -0.046 20 0 BBADLP O=C(CCn1cc[nH+]c1)N1CC[NH2+]CC1 ZINC000019512836 347338962 /nfs/dbraw/zinc/33/89/62/347338962.db2.gz SCZMTWSGQUGJDU-UHFFFAOYSA-N 2 2 208.265 -0.295 20 0 BBADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000019516036 177244328 /nfs/dbraw/zinc/24/43/28/177244328.db2.gz NUIHAQOBPNDKOV-PHIMTYICSA-N 2 2 241.335 -0.473 20 0 BBADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000019516036 177244325 /nfs/dbraw/zinc/24/43/25/177244325.db2.gz NUIHAQOBPNDKOV-PHIMTYICSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[NH+]1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000019517780 589944024 /nfs/dbraw/zinc/94/40/24/589944024.db2.gz CJMIXOWCLJEXMS-VIFPVBQESA-N 2 2 229.349 -0.187 20 0 BBADLP CC[NH+]1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000019517781 347339138 /nfs/dbraw/zinc/33/91/38/347339138.db2.gz CJMIXOWCLJEXMS-SECBINFHSA-N 2 2 229.349 -0.187 20 0 BBADLP CC(C)([NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000019672357 347339735 /nfs/dbraw/zinc/33/97/35/347339735.db2.gz ALDFNOQOSWARAM-UHFFFAOYSA-N 2 2 215.297 -0.828 20 0 BBADLP CCN(CC)C(=O)C[NH+]1CCN(CC[NH3+])CC1 ZINC000019688098 356483967 /nfs/dbraw/zinc/48/39/67/356483967.db2.gz JFOKVIMCEBOUBF-UHFFFAOYSA-N 2 2 242.367 -0.569 20 0 BBADLP C[N@@H+](CCC[NH3+])CC(=O)N1CCOCC1 ZINC000019834781 487501510 /nfs/dbraw/zinc/50/15/10/487501510.db2.gz QHPQNZIEQCFIQV-UHFFFAOYSA-N 2 2 215.297 -0.874 20 0 BBADLP C[N@H+](CCC[NH3+])CC(=O)N1CCOCC1 ZINC000019834781 487501504 /nfs/dbraw/zinc/50/15/04/487501504.db2.gz QHPQNZIEQCFIQV-UHFFFAOYSA-N 2 2 215.297 -0.874 20 0 BBADLP C(C[N@H+]1CCC[NH2+]CC1)N1CCOCC1 ZINC000019840626 188058960 /nfs/dbraw/zinc/05/89/60/188058960.db2.gz MKHFKQDJJAXKPO-UHFFFAOYSA-N 2 2 213.325 -0.386 20 0 BBADLP C(C[N@@H+]1CCC[NH2+]CC1)N1CCOCC1 ZINC000019840626 188058958 /nfs/dbraw/zinc/05/89/58/188058958.db2.gz MKHFKQDJJAXKPO-UHFFFAOYSA-N 2 2 213.325 -0.386 20 0 BBADLP C(C[NH+]1CCOCC1)N1CCC[NH2+]CC1 ZINC000019840626 188058956 /nfs/dbraw/zinc/05/89/56/188058956.db2.gz MKHFKQDJJAXKPO-UHFFFAOYSA-N 2 2 213.325 -0.386 20 0 BBADLP [NH3+]C[C@H]1CCC[N@H+]1CCN1CCOCC1 ZINC000019843312 385331867 /nfs/dbraw/zinc/33/18/67/385331867.db2.gz SLUQFIKEKVQOQX-LLVKDONJSA-N 2 2 213.325 -0.258 20 0 BBADLP [NH3+]C[C@H]1CCC[N@@H+]1CCN1CCOCC1 ZINC000019843312 385331863 /nfs/dbraw/zinc/33/18/63/385331863.db2.gz SLUQFIKEKVQOQX-LLVKDONJSA-N 2 2 213.325 -0.258 20 0 BBADLP [NH3+]C[C@H]1CCCN1CC[NH+]1CCOCC1 ZINC000019843312 385331858 /nfs/dbraw/zinc/33/18/58/385331858.db2.gz SLUQFIKEKVQOQX-LLVKDONJSA-N 2 2 213.325 -0.258 20 0 BBADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cccnc2)CC1 ZINC000019980697 538930330 /nfs/dbraw/zinc/93/03/30/538930330.db2.gz LBDLNZWNWGGDID-UHFFFAOYSA-N 2 2 248.330 -0.055 20 0 BBADLP C[NH+]1CCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000020037666 173068111 /nfs/dbraw/zinc/06/81/11/173068111.db2.gz USFZCEGXUXWKSP-UHFFFAOYSA-N 2 2 211.309 -0.240 20 0 BBADLP COC[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000020042140 538930220 /nfs/dbraw/zinc/93/02/20/538930220.db2.gz CJDMQXHYJMRRIO-SNVBAGLBSA-N 2 2 229.324 -0.615 20 0 BBADLP COC[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000020042143 538930270 /nfs/dbraw/zinc/93/02/70/538930270.db2.gz CJDMQXHYJMRRIO-JTQLQIEISA-N 2 2 229.324 -0.615 20 0 BBADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccccn2)CC1 ZINC000020054075 173066974 /nfs/dbraw/zinc/06/69/74/173066974.db2.gz JDQBGTXMCKDVGT-UHFFFAOYSA-N 2 2 248.330 -0.055 20 0 BBADLP C[NH+]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000020055707 173066416 /nfs/dbraw/zinc/06/64/16/173066416.db2.gz VULKDAZPWITWLC-NSHDSACASA-N 2 2 241.335 -0.471 20 0 BBADLP C[NH+]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000020055709 173066507 /nfs/dbraw/zinc/06/65/07/173066507.db2.gz VULKDAZPWITWLC-LLVKDONJSA-N 2 2 241.335 -0.471 20 0 BBADLP C[N@H+]1CCCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000020217827 173012116 /nfs/dbraw/zinc/01/21/16/173012116.db2.gz CVGBPHCQEOSLRD-VIFPVBQESA-N 2 2 229.349 -0.187 20 0 BBADLP C[N@@H+]1CCCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000020217827 173012114 /nfs/dbraw/zinc/01/21/14/173012114.db2.gz CVGBPHCQEOSLRD-VIFPVBQESA-N 2 2 229.349 -0.187 20 0 BBADLP C[N@H+]1CCCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000020217828 173014382 /nfs/dbraw/zinc/01/43/82/173014382.db2.gz CVGBPHCQEOSLRD-SECBINFHSA-N 2 2 229.349 -0.187 20 0 BBADLP C[N@@H+]1CCCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000020217828 173014379 /nfs/dbraw/zinc/01/43/79/173014379.db2.gz CVGBPHCQEOSLRD-SECBINFHSA-N 2 2 229.349 -0.187 20 0 BBADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC([NH3+])CC1 ZINC000020385878 170077293 /nfs/dbraw/zinc/07/72/93/170077293.db2.gz OUNBDJGNWUYYGE-MRVPVSSYSA-N 2 2 242.323 -0.356 20 0 BBADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC([NH3+])CC1 ZINC000020385884 170077662 /nfs/dbraw/zinc/07/76/62/170077662.db2.gz OUNBDJGNWUYYGE-QMMMGPOBSA-N 2 2 242.323 -0.356 20 0 BBADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC([NH3+])CC1 ZINC000020385901 173287880 /nfs/dbraw/zinc/28/78/80/173287880.db2.gz UBFZIPBPUVHOPH-SSDOTTSWSA-N 2 2 228.296 -0.746 20 0 BBADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC([NH3+])CC1 ZINC000020385908 173288488 /nfs/dbraw/zinc/28/84/88/173288488.db2.gz UBFZIPBPUVHOPH-ZETCQYMHSA-N 2 2 228.296 -0.746 20 0 BBADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccncc2)CC1 ZINC000021012354 538933605 /nfs/dbraw/zinc/93/36/05/538933605.db2.gz VPUGGADESUZJJE-UHFFFAOYSA-N 2 2 248.330 -0.055 20 0 BBADLP Cn1cc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cn1 ZINC000026472799 368234650 /nfs/dbraw/zinc/23/46/50/368234650.db2.gz LAPDADRHUOMFCI-NSHDSACASA-N 2 2 224.308 -0.030 20 0 BBADLP Cn1cc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cn1 ZINC000026472799 368234645 /nfs/dbraw/zinc/23/46/45/368234645.db2.gz LAPDADRHUOMFCI-NSHDSACASA-N 2 2 224.308 -0.030 20 0 BBADLP Cn1cc(C[N@H+]2CCCO[C@H](C[NH3+])C2)cn1 ZINC000026472806 368234872 /nfs/dbraw/zinc/23/48/72/368234872.db2.gz LAPDADRHUOMFCI-LLVKDONJSA-N 2 2 224.308 -0.030 20 0 BBADLP Cn1cc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)cn1 ZINC000026472806 368234867 /nfs/dbraw/zinc/23/48/67/368234867.db2.gz LAPDADRHUOMFCI-LLVKDONJSA-N 2 2 224.308 -0.030 20 0 BBADLP COCCCNC(=O)[C@H](C)[NH+]1CCC([NH3+])CC1 ZINC000034939779 174243365 /nfs/dbraw/zinc/24/33/65/174243365.db2.gz OSYZKIIWYOZKFE-JTQLQIEISA-N 2 2 243.351 -0.049 20 0 BBADLP COCCCNC(=O)[C@@H](C)[NH+]1CCC([NH3+])CC1 ZINC000034939780 174242682 /nfs/dbraw/zinc/24/26/82/174242682.db2.gz OSYZKIIWYOZKFE-SNVBAGLBSA-N 2 2 243.351 -0.049 20 0 BBADLP O=C1CCC(=O)N1CC[N@H+]1CCC[NH2+]CC1 ZINC000034977195 344326957 /nfs/dbraw/zinc/32/69/57/344326957.db2.gz OKBOTAHOEMPIRI-UHFFFAOYSA-N 2 2 225.292 -0.569 20 0 BBADLP O=C1CCC(=O)N1CC[N@@H+]1CCC[NH2+]CC1 ZINC000034977195 344326954 /nfs/dbraw/zinc/32/69/54/344326954.db2.gz OKBOTAHOEMPIRI-UHFFFAOYSA-N 2 2 225.292 -0.569 20 0 BBADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000035609629 356705344 /nfs/dbraw/zinc/70/53/44/356705344.db2.gz DTDVTWQZRCUCSS-MNOVXSKESA-N 2 2 243.351 -0.504 20 0 BBADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000035609630 171394144 /nfs/dbraw/zinc/39/41/44/171394144.db2.gz DTDVTWQZRCUCSS-QWRGUYRKSA-N 2 2 243.351 -0.504 20 0 BBADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000035609631 356704956 /nfs/dbraw/zinc/70/49/56/356704956.db2.gz DTDVTWQZRCUCSS-GHMZBOCLSA-N 2 2 243.351 -0.504 20 0 BBADLP CC(C)C[C@H]([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000035609638 356705246 /nfs/dbraw/zinc/70/52/46/356705246.db2.gz OGVNUGCEVBZZAW-NSHDSACASA-N 2 2 243.351 -0.504 20 0 BBADLP CC(C)C[C@@H]([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000035609639 398155391 /nfs/dbraw/zinc/15/53/91/398155391.db2.gz OGVNUGCEVBZZAW-LLVKDONJSA-N 2 2 243.351 -0.504 20 0 BBADLP O=C(NCC[NH+]1CCCC1)[C@@H]1CSC[NH2+]1 ZINC000035663383 182185071 /nfs/dbraw/zinc/18/50/71/182185071.db2.gz WOQLJWQLGFREJU-VIFPVBQESA-N 2 2 229.349 -0.139 20 0 BBADLP O=C(NCC[NH+]1CCCC1)[C@H]1CSC[NH2+]1 ZINC000035663384 182185877 /nfs/dbraw/zinc/18/58/77/182185877.db2.gz WOQLJWQLGFREJU-SECBINFHSA-N 2 2 229.349 -0.139 20 0 BBADLP C[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC000036279873 173348244 /nfs/dbraw/zinc/34/82/44/173348244.db2.gz BYYBKEPXAALSTF-UHFFFAOYSA-N 2 2 210.281 -0.001 20 0 BBADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1C[NH2+]CCO1 ZINC000036285172 358018012 /nfs/dbraw/zinc/01/80/12/358018012.db2.gz KFFKEYZHUYUEAO-JTQLQIEISA-N 2 2 238.291 -0.622 20 0 BBADLP O=C(CCn1cc[nH+]c1)NC[C@H]1C[NH2+]CCO1 ZINC000036285174 358019122 /nfs/dbraw/zinc/01/91/22/358019122.db2.gz KFFKEYZHUYUEAO-SNVBAGLBSA-N 2 2 238.291 -0.622 20 0 BBADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[NH2+]C1 ZINC000036286805 398260552 /nfs/dbraw/zinc/26/05/52/398260552.db2.gz FCCGUDFOTNSKGL-SECBINFHSA-N 2 2 208.265 -0.249 20 0 BBADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[NH2+]C1 ZINC000036286808 487807848 /nfs/dbraw/zinc/80/78/48/487807848.db2.gz FCCGUDFOTNSKGL-VIFPVBQESA-N 2 2 208.265 -0.249 20 0 BBADLP COCCCNC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000036300455 358018817 /nfs/dbraw/zinc/01/88/17/358018817.db2.gz TZQNRPVZRJCGAN-UHFFFAOYSA-N 2 2 243.351 -0.177 20 0 BBADLP COCCCNC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000036300455 358018813 /nfs/dbraw/zinc/01/88/13/358018813.db2.gz TZQNRPVZRJCGAN-UHFFFAOYSA-N 2 2 243.351 -0.177 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000036300478 173286289 /nfs/dbraw/zinc/28/62/89/173286289.db2.gz CDIIMEIAILHCEB-UHFFFAOYSA-N 2 2 228.296 -0.874 20 0 BBADLP CNC(=O)NC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000036300478 173286288 /nfs/dbraw/zinc/28/62/88/173286288.db2.gz CDIIMEIAILHCEB-UHFFFAOYSA-N 2 2 228.296 -0.874 20 0 BBADLP CCNC(=O)NC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000036300791 170076429 /nfs/dbraw/zinc/07/64/29/170076429.db2.gz GONUEMMSWNQNKU-UHFFFAOYSA-N 2 2 242.323 -0.484 20 0 BBADLP CCNC(=O)NC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000036300791 170076427 /nfs/dbraw/zinc/07/64/27/170076427.db2.gz GONUEMMSWNQNKU-UHFFFAOYSA-N 2 2 242.323 -0.484 20 0 BBADLP C[N@@H+](CC(=O)N1CCOCC1)C1CC[NH2+]CC1 ZINC000036300880 342809023 /nfs/dbraw/zinc/80/90/23/342809023.db2.gz JGBNFAOXDJRXKP-UHFFFAOYSA-N 2 2 241.335 -0.471 20 0 BBADLP C[N@H+](CC(=O)N1CCOCC1)C1CC[NH2+]CC1 ZINC000036300880 342809022 /nfs/dbraw/zinc/80/90/22/342809022.db2.gz JGBNFAOXDJRXKP-UHFFFAOYSA-N 2 2 241.335 -0.471 20 0 BBADLP C[N@@H+](CC(=O)NC1CC1)C1CC[NH2+]CC1 ZINC000036301454 342908280 /nfs/dbraw/zinc/90/82/80/342908280.db2.gz LTLOGDCDJWDCDG-UHFFFAOYSA-N 2 2 211.309 -0.051 20 0 BBADLP C[N@H+](CC(=O)NC1CC1)C1CC[NH2+]CC1 ZINC000036301454 342908279 /nfs/dbraw/zinc/90/82/79/342908279.db2.gz LTLOGDCDJWDCDG-UHFFFAOYSA-N 2 2 211.309 -0.051 20 0 BBADLP C[C@@H]1CN(C(=O)C[NH+]2CCC([NH3+])CC2)CCO1 ZINC000036754389 176246646 /nfs/dbraw/zinc/24/66/46/176246646.db2.gz OXMNNHCDTBNWKQ-SNVBAGLBSA-N 2 2 241.335 -0.343 20 0 BBADLP C[C@H]1CN(C(=O)C[NH+]2CCC([NH3+])CC2)CCO1 ZINC000036754391 177216363 /nfs/dbraw/zinc/21/63/63/177216363.db2.gz OXMNNHCDTBNWKQ-JTQLQIEISA-N 2 2 241.335 -0.343 20 0 BBADLP [NH3+]C1CC[NH+](CC(=O)NC(=O)NC2CC2)CC1 ZINC000036754518 181343590 /nfs/dbraw/zinc/34/35/90/181343590.db2.gz ZZMDITPXVCOCBF-UHFFFAOYSA-N 2 2 240.307 -0.602 20 0 BBADLP CCNC(=O)NC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000036754619 170076449 /nfs/dbraw/zinc/07/64/49/170076449.db2.gz IYAUSAANYSQHOL-UHFFFAOYSA-N 2 2 228.296 -0.745 20 0 BBADLP CCCNC(=O)NC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000036754722 169235466 /nfs/dbraw/zinc/23/54/66/169235466.db2.gz NYEHIKOVIMVKOA-UHFFFAOYSA-N 2 2 242.323 -0.355 20 0 BBADLP C[NH+](C)CC[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000036828613 538961216 /nfs/dbraw/zinc/96/12/16/538961216.db2.gz RFOMSNHJGDJHQO-UHFFFAOYSA-N 2 2 249.380 -0.438 20 0 BBADLP CC[C@H]([NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000036871350 384458323 /nfs/dbraw/zinc/45/83/23/384458323.db2.gz ALYQFKKUVAYSTM-VIFPVBQESA-N 2 2 215.297 -0.828 20 0 BBADLP CC[C@@H]([NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000036871351 384460316 /nfs/dbraw/zinc/46/03/16/384460316.db2.gz ALYQFKKUVAYSTM-SECBINFHSA-N 2 2 215.297 -0.828 20 0 BBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000037008643 344485225 /nfs/dbraw/zinc/48/52/25/344485225.db2.gz RORIKVALDDWRFJ-QWRGUYRKSA-N 2 2 241.335 -0.425 20 0 BBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000037008644 344485014 /nfs/dbraw/zinc/48/50/14/344485014.db2.gz RORIKVALDDWRFJ-MNOVXSKESA-N 2 2 241.335 -0.425 20 0 BBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC[NH2+]1 ZINC000037008645 344485131 /nfs/dbraw/zinc/48/51/31/344485131.db2.gz RORIKVALDDWRFJ-WDEREUQCSA-N 2 2 241.335 -0.425 20 0 BBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC[NH2+]1 ZINC000037008646 344484946 /nfs/dbraw/zinc/48/49/46/344484946.db2.gz RORIKVALDDWRFJ-GHMZBOCLSA-N 2 2 241.335 -0.425 20 0 BBADLP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000037008672 344484867 /nfs/dbraw/zinc/48/48/67/344484867.db2.gz FICUSPHVUQKFEH-QWRGUYRKSA-N 2 2 243.351 -0.193 20 0 BBADLP CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000037008673 384986528 /nfs/dbraw/zinc/98/65/28/384986528.db2.gz FICUSPHVUQKFEH-WDEREUQCSA-N 2 2 243.351 -0.193 20 0 BBADLP CC(C)[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000037008674 344485294 /nfs/dbraw/zinc/48/52/94/344485294.db2.gz FICUSPHVUQKFEH-MNOVXSKESA-N 2 2 243.351 -0.193 20 0 BBADLP CC(C)[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000037008675 384987585 /nfs/dbraw/zinc/98/75/85/384987585.db2.gz FICUSPHVUQKFEH-GHMZBOCLSA-N 2 2 243.351 -0.193 20 0 BBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CC[NH3+] ZINC000037008695 342915912 /nfs/dbraw/zinc/91/59/12/342915912.db2.gz ZHCSVMIMHXBBEO-VIFPVBQESA-N 2 2 215.297 -0.828 20 0 BBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CC[NH3+] ZINC000037008696 342916029 /nfs/dbraw/zinc/91/60/29/342916029.db2.gz ZHCSVMIMHXBBEO-SECBINFHSA-N 2 2 215.297 -0.828 20 0 BBADLP C[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000037008705 342916131 /nfs/dbraw/zinc/91/61/31/342916131.db2.gz OBXZGXCUXKHWKE-DTWKUNHWSA-N 2 2 215.297 -0.830 20 0 BBADLP C[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000037008706 342915904 /nfs/dbraw/zinc/91/59/04/342915904.db2.gz OBXZGXCUXKHWKE-RKDXNWHRSA-N 2 2 215.297 -0.830 20 0 BBADLP C[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000037008707 342915998 /nfs/dbraw/zinc/91/59/98/342915998.db2.gz OBXZGXCUXKHWKE-IUCAKERBSA-N 2 2 215.297 -0.830 20 0 BBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)[NH3+] ZINC000037008708 342915955 /nfs/dbraw/zinc/91/59/55/342915955.db2.gz OBXZGXCUXKHWKE-BDAKNGLRSA-N 2 2 215.297 -0.830 20 0 BBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CCC[NH3+] ZINC000037008730 344485889 /nfs/dbraw/zinc/48/58/89/344485889.db2.gz PZCXWVUKDQVIBG-JTQLQIEISA-N 2 2 229.324 -0.438 20 0 BBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CCC[NH3+] ZINC000037008731 344485897 /nfs/dbraw/zinc/48/58/97/344485897.db2.gz PZCXWVUKDQVIBG-SNVBAGLBSA-N 2 2 229.324 -0.438 20 0 BBADLP C[NH2+]CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000037008736 173330711 /nfs/dbraw/zinc/33/07/11/173330711.db2.gz LGCVEXATROXIJL-VIFPVBQESA-N 2 2 215.297 -0.957 20 0 BBADLP C[NH2+]CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000037008737 173331966 /nfs/dbraw/zinc/33/19/66/173331966.db2.gz LGCVEXATROXIJL-SECBINFHSA-N 2 2 215.297 -0.957 20 0 BBADLP CC[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000037008752 384986814 /nfs/dbraw/zinc/98/68/14/384986814.db2.gz PNXMEDBISJLUQD-UWVGGRQHSA-N 2 2 229.324 -0.439 20 0 BBADLP CC[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000037008753 343144023 /nfs/dbraw/zinc/14/40/23/343144023.db2.gz PNXMEDBISJLUQD-VHSXEESVSA-N 2 2 229.324 -0.439 20 0 BBADLP CC[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000037008754 384988127 /nfs/dbraw/zinc/98/81/27/384988127.db2.gz PNXMEDBISJLUQD-ZJUUUORDSA-N 2 2 229.324 -0.439 20 0 BBADLP CC[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000037008755 343143736 /nfs/dbraw/zinc/14/37/36/343143736.db2.gz PNXMEDBISJLUQD-NXEZZACHSA-N 2 2 229.324 -0.439 20 0 BBADLP COC(=O)N1CC[NH+](CCC[NH3+])CC1 ZINC000037037812 342916409 /nfs/dbraw/zinc/91/64/09/342916409.db2.gz IHSQOKBKOCULSC-UHFFFAOYSA-N 2 2 201.270 -0.281 20 0 BBADLP [NH3+]CCC[NH+]1CCN(c2cnccn2)CC1 ZINC000037037829 132343479 /nfs/dbraw/zinc/34/34/79/132343479.db2.gz OPWMCSTVCFETCX-UHFFFAOYSA-N 2 2 221.308 -0.053 20 0 BBADLP CC(C)NC(=O)C[NH+]1CCN(CCC[NH3+])CC1 ZINC000037037844 358064387 /nfs/dbraw/zinc/06/43/87/358064387.db2.gz FLFDXIIFNPKNRE-UHFFFAOYSA-N 2 2 242.367 -0.523 20 0 BBADLP CC(C)NC(=O)CN1CC[NH+](CCC[NH3+])CC1 ZINC000037037844 358064384 /nfs/dbraw/zinc/06/43/84/358064384.db2.gz FLFDXIIFNPKNRE-UHFFFAOYSA-N 2 2 242.367 -0.523 20 0 BBADLP CC[C@@H](C)NC(=O)C[NH+]1CCN(CC[NH3+])CC1 ZINC000037039577 398299896 /nfs/dbraw/zinc/29/98/96/398299896.db2.gz CWBSBBBDBLBYKQ-LLVKDONJSA-N 2 2 242.367 -0.523 20 0 BBADLP CC[C@H](C)NC(=O)C[NH+]1CCN(CC[NH3+])CC1 ZINC000037039578 398299965 /nfs/dbraw/zinc/29/99/65/398299965.db2.gz CWBSBBBDBLBYKQ-NSHDSACASA-N 2 2 242.367 -0.523 20 0 BBADLP COCC[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000037186331 358059973 /nfs/dbraw/zinc/05/99/73/358059973.db2.gz RAEGCCCNKNPVJK-UHFFFAOYSA-N 2 2 243.351 -0.225 20 0 BBADLP C[NH+]1CCC([NH2+]CC(=O)NC2CC2)CC1 ZINC000037249917 342925270 /nfs/dbraw/zinc/92/52/70/342925270.db2.gz OPTSGFSIJUBQRX-UHFFFAOYSA-N 2 2 211.309 -0.051 20 0 BBADLP C[C@H]([NH3+])CC(=O)NCC[NH+]1CCOCC1 ZINC000037475905 398325520 /nfs/dbraw/zinc/32/55/20/398325520.db2.gz OZTZANMAWSERGM-VIFPVBQESA-N 2 2 215.297 -0.828 20 0 BBADLP C[C@H]([NH3+])CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000037476506 398327933 /nfs/dbraw/zinc/32/79/33/398327933.db2.gz SAGNSRKWUHXUEJ-UWVGGRQHSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@@H]([NH3+])CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000037476507 712648072 /nfs/dbraw/zinc/64/80/72/712648072.db2.gz SAGNSRKWUHXUEJ-ZJUUUORDSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H](C)[NH3+] ZINC000037476508 398327865 /nfs/dbraw/zinc/32/78/65/398327865.db2.gz SAGNSRKWUHXUEJ-VHSXEESVSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@@H]([NH3+])CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000037476509 712647846 /nfs/dbraw/zinc/64/78/46/712647846.db2.gz SAGNSRKWUHXUEJ-NXEZZACHSA-N 2 2 229.324 -0.439 20 0 BBADLP O=C(C[NH2+]C1CC1)NCC[NH+]1CCOCC1 ZINC000037476894 358071326 /nfs/dbraw/zinc/07/13/26/358071326.db2.gz ILAGMHHHHGKNRJ-UHFFFAOYSA-N 2 2 227.308 -0.813 20 0 BBADLP CC(C)[NH2+]CC(=O)NCC[NH+]1CCOCC1 ZINC000037477075 538962986 /nfs/dbraw/zinc/96/29/86/538962986.db2.gz RQVBRGCLBLKBMJ-UHFFFAOYSA-N 2 2 229.324 -0.567 20 0 BBADLP C[NH2+]CCCC(=O)NCC[NH+]1CCOCC1 ZINC000037477576 173343941 /nfs/dbraw/zinc/34/39/41/173343941.db2.gz LORAWJRERVSEFA-UHFFFAOYSA-N 2 2 229.324 -0.566 20 0 BBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[NH2+]C1CC1 ZINC000037609349 358083463 /nfs/dbraw/zinc/08/34/63/358083463.db2.gz JZSGFVMLQTZMRW-JTQLQIEISA-N 2 2 241.335 -0.425 20 0 BBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[NH2+]C1CC1 ZINC000037609351 358083200 /nfs/dbraw/zinc/08/32/00/358083200.db2.gz JZSGFVMLQTZMRW-SNVBAGLBSA-N 2 2 241.335 -0.425 20 0 BBADLP CC(C)[NH2+]CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000037609995 167096879 /nfs/dbraw/zinc/09/68/79/167096879.db2.gz YCFNYVANXZFPNP-NSHDSACASA-N 2 2 243.351 -0.179 20 0 BBADLP CC(C)[NH2+]CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000037609997 167097320 /nfs/dbraw/zinc/09/73/20/167097320.db2.gz YCFNYVANXZFPNP-LLVKDONJSA-N 2 2 243.351 -0.179 20 0 BBADLP C[NH2+]CCCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000037610917 173344618 /nfs/dbraw/zinc/34/46/18/173344618.db2.gz ONTGSTFIHBQDPO-NSHDSACASA-N 2 2 243.351 -0.177 20 0 BBADLP C[NH2+]CCCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000037610919 173344783 /nfs/dbraw/zinc/34/47/83/173344783.db2.gz ONTGSTFIHBQDPO-LLVKDONJSA-N 2 2 243.351 -0.177 20 0 BBADLP O=C(CC[NH2+]C1CC1)NCC[NH+]1CCOCC1 ZINC000037611987 343349082 /nfs/dbraw/zinc/34/90/82/343349082.db2.gz LKBMAYJPESZREQ-UHFFFAOYSA-N 2 2 241.335 -0.423 20 0 BBADLP O=C(C[NH2+]CC1CC1)NCC[NH+]1CCOCC1 ZINC000037611988 344552823 /nfs/dbraw/zinc/55/28/23/344552823.db2.gz CVWCKESQLJHXON-UHFFFAOYSA-N 2 2 241.335 -0.566 20 0 BBADLP [NH3+]C1(C(=O)NCC[NH+]2CCOCC2)CCCC1 ZINC000037616054 181325369 /nfs/dbraw/zinc/32/53/69/181325369.db2.gz IJUOYMUCXLZMJT-UHFFFAOYSA-N 2 2 241.335 -0.294 20 0 BBADLP [NH3+]C1(C(=O)N2CC[NH+](CCO)CC2)CCCC1 ZINC000037616140 181324200 /nfs/dbraw/zinc/32/42/00/181324200.db2.gz HOPXRQASKSVHND-UHFFFAOYSA-N 2 2 241.335 -0.606 20 0 BBADLP CC(C)[NH2+]CCC(=O)NCC[NH+]1CCOCC1 ZINC000037618224 358084127 /nfs/dbraw/zinc/08/41/27/358084127.db2.gz ZWKIEGGASYRFGN-UHFFFAOYSA-N 2 2 243.351 -0.177 20 0 BBADLP CCCC[C@H]([NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000037619260 169007601 /nfs/dbraw/zinc/00/76/01/169007601.db2.gz NAVSADPWJIHPMG-NSHDSACASA-N 2 2 243.351 -0.048 20 0 BBADLP CCCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000037619261 358475030 /nfs/dbraw/zinc/47/50/30/358475030.db2.gz NAVSADPWJIHPMG-LLVKDONJSA-N 2 2 243.351 -0.048 20 0 BBADLP CCCC[C@H]([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000037619432 169005982 /nfs/dbraw/zinc/00/59/82/169005982.db2.gz DURKLLLUEZLORI-NSHDSACASA-N 2 2 243.351 -0.360 20 0 BBADLP CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000037619433 168966786 /nfs/dbraw/zinc/96/67/86/168966786.db2.gz DURKLLLUEZLORI-LLVKDONJSA-N 2 2 243.351 -0.360 20 0 BBADLP CCC[C@](C)([NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000037621316 344553408 /nfs/dbraw/zinc/55/34/08/344553408.db2.gz SBGOPGMUOBXERA-LBPRGKRZSA-N 2 2 243.351 -0.048 20 0 BBADLP CCC[C@@](C)([NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000037621317 385232410 /nfs/dbraw/zinc/23/24/10/385232410.db2.gz SBGOPGMUOBXERA-GFCCVEGCSA-N 2 2 243.351 -0.048 20 0 BBADLP CCC[C@](C)([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000037621488 344553575 /nfs/dbraw/zinc/55/35/75/344553575.db2.gz DUBSMYAKGFVHQT-LBPRGKRZSA-N 2 2 243.351 -0.360 20 0 BBADLP CCC[C@@](C)([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000037621489 385231594 /nfs/dbraw/zinc/23/15/94/385231594.db2.gz DUBSMYAKGFVHQT-GFCCVEGCSA-N 2 2 243.351 -0.360 20 0 BBADLP C[C@H]([NH2+]CC[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000037712852 488038577 /nfs/dbraw/zinc/03/85/77/488038577.db2.gz VZCRHWZRHLVPRN-QMMMGPOBSA-N 2 2 243.332 -0.057 20 0 BBADLP [NH3+]CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000037799516 181351024 /nfs/dbraw/zinc/35/10/24/181351024.db2.gz VGOPDPRMYKMKQP-SNVBAGLBSA-N 2 2 227.308 -0.732 20 0 BBADLP [NH3+]CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000037799517 181349611 /nfs/dbraw/zinc/34/96/11/181349611.db2.gz VGOPDPRMYKMKQP-JTQLQIEISA-N 2 2 227.308 -0.732 20 0 BBADLP C[NH2+]CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000037799548 173325960 /nfs/dbraw/zinc/32/59/60/173325960.db2.gz DNQNIZKUEUFQEH-NSHDSACASA-N 2 2 241.335 -0.471 20 0 BBADLP C[NH2+]CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000037799549 173327023 /nfs/dbraw/zinc/32/70/23/173327023.db2.gz DNQNIZKUEUFQEH-LLVKDONJSA-N 2 2 241.335 -0.471 20 0 BBADLP C[NH2+]CC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000037800364 173326962 /nfs/dbraw/zinc/32/69/62/173326962.db2.gz KDDGPYMHUKNIJU-UHFFFAOYSA-N 2 2 248.330 -0.055 20 0 BBADLP C[NH2+]CC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000037802783 173327123 /nfs/dbraw/zinc/32/71/23/173327123.db2.gz DOUSKFQWFSAWRQ-UHFFFAOYSA-N 2 2 248.330 -0.055 20 0 BBADLP C[NH2+]CC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000037818455 173325971 /nfs/dbraw/zinc/32/59/71/173325971.db2.gz KUWWQKQJESQQHZ-UHFFFAOYSA-N 2 2 248.330 -0.055 20 0 BBADLP O=C([C@@H]1CSC[NH2+]1)N1CC[NH+](C2CC2)CC1 ZINC000037826968 344593668 /nfs/dbraw/zinc/59/36/68/344593668.db2.gz QUAMWTCWYVMRDH-JTQLQIEISA-N 2 2 241.360 -0.045 20 0 BBADLP O=C([C@H]1CSC[NH2+]1)N1CC[NH+](C2CC2)CC1 ZINC000037826969 368148207 /nfs/dbraw/zinc/14/82/07/368148207.db2.gz QUAMWTCWYVMRDH-SNVBAGLBSA-N 2 2 241.360 -0.045 20 0 BBADLP CN(C)C(=O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000037886589 388751631 /nfs/dbraw/zinc/75/16/31/388751631.db2.gz FYIUYXVBXBYOJX-JTQLQIEISA-N 2 2 229.324 -0.879 20 0 BBADLP CN(C)C(=O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000037886590 388751608 /nfs/dbraw/zinc/75/16/08/388751608.db2.gz FYIUYXVBXBYOJX-SNVBAGLBSA-N 2 2 229.324 -0.879 20 0 BBADLP C[NH+](C)C[C@@H](O)C[NH2+]C1CC[NH+](C)CC1 ZINC000037887412 385322042 /nfs/dbraw/zinc/32/20/42/385322042.db2.gz JFPISVANWBGKRW-NSHDSACASA-N 3 2 215.341 -0.407 20 0 BBADLP C[NH+](C)C[C@H](O)C[NH2+]C1CC[NH+](C)CC1 ZINC000037887413 384624520 /nfs/dbraw/zinc/62/45/20/384624520.db2.gz JFPISVANWBGKRW-LLVKDONJSA-N 3 2 215.341 -0.407 20 0 BBADLP C[NH+]1CCC([NH2+][C@@H]2COC[C@@H]2O)CC1 ZINC000037887430 398023755 /nfs/dbraw/zinc/02/37/55/398023755.db2.gz XMSQJMYLOVPUAB-ZJUUUORDSA-N 2 2 200.282 -0.570 20 0 BBADLP NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000037918042 181230440 /nfs/dbraw/zinc/23/04/40/181230440.db2.gz UHCQNRNVOXRDMV-NXEZZACHSA-N 2 2 211.309 -0.064 20 0 BBADLP NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000037918042 181230438 /nfs/dbraw/zinc/23/04/38/181230438.db2.gz UHCQNRNVOXRDMV-NXEZZACHSA-N 2 2 211.309 -0.064 20 0 BBADLP NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918043 181231067 /nfs/dbraw/zinc/23/10/67/181231067.db2.gz UHCQNRNVOXRDMV-ZJUUUORDSA-N 2 2 211.309 -0.064 20 0 BBADLP NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918043 181231065 /nfs/dbraw/zinc/23/10/65/181231065.db2.gz UHCQNRNVOXRDMV-ZJUUUORDSA-N 2 2 211.309 -0.064 20 0 BBADLP NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037918044 181230637 /nfs/dbraw/zinc/23/06/37/181230637.db2.gz UHCQNRNVOXRDMV-VHSXEESVSA-N 2 2 211.309 -0.064 20 0 BBADLP NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037918044 181230635 /nfs/dbraw/zinc/23/06/35/181230635.db2.gz UHCQNRNVOXRDMV-VHSXEESVSA-N 2 2 211.309 -0.064 20 0 BBADLP NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918045 181231034 /nfs/dbraw/zinc/23/10/34/181231034.db2.gz UHCQNRNVOXRDMV-UWVGGRQHSA-N 2 2 211.309 -0.064 20 0 BBADLP NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918045 181231033 /nfs/dbraw/zinc/23/10/33/181231033.db2.gz UHCQNRNVOXRDMV-UWVGGRQHSA-N 2 2 211.309 -0.064 20 0 BBADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccnc1 ZINC000038031034 350300187 /nfs/dbraw/zinc/30/01/87/350300187.db2.gz DLLLHEKEBNHBPY-UHFFFAOYSA-N 2 2 248.330 -0.055 20 0 BBADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccnc1 ZINC000038031034 350300186 /nfs/dbraw/zinc/30/01/86/350300186.db2.gz DLLLHEKEBNHBPY-UHFFFAOYSA-N 2 2 248.330 -0.055 20 0 BBADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccncc1 ZINC000038031038 350300228 /nfs/dbraw/zinc/30/02/28/350300228.db2.gz CFUMBIFQNKAGFG-UHFFFAOYSA-N 2 2 248.330 -0.055 20 0 BBADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccncc1 ZINC000038031038 350300227 /nfs/dbraw/zinc/30/02/27/350300227.db2.gz CFUMBIFQNKAGFG-UHFFFAOYSA-N 2 2 248.330 -0.055 20 0 BBADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccccn1 ZINC000038031084 350300215 /nfs/dbraw/zinc/30/02/15/350300215.db2.gz IQGCMVQAJDZJCX-UHFFFAOYSA-N 2 2 248.330 -0.055 20 0 BBADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccccn1 ZINC000038031084 350300214 /nfs/dbraw/zinc/30/02/14/350300214.db2.gz IQGCMVQAJDZJCX-UHFFFAOYSA-N 2 2 248.330 -0.055 20 0 BBADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccno1 ZINC000038031512 358103378 /nfs/dbraw/zinc/10/33/78/358103378.db2.gz UALXNZQAUKPBCF-UHFFFAOYSA-N 2 2 238.291 -0.462 20 0 BBADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccno1 ZINC000038031512 358103376 /nfs/dbraw/zinc/10/33/76/358103376.db2.gz UALXNZQAUKPBCF-UHFFFAOYSA-N 2 2 238.291 -0.462 20 0 BBADLP C[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000040420138 173329343 /nfs/dbraw/zinc/32/93/43/173329343.db2.gz FRXNWMWHCIOVEP-UHFFFAOYSA-N 2 2 229.324 -0.567 20 0 BBADLP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000040459839 352598298 /nfs/dbraw/zinc/59/82/98/352598298.db2.gz HXZCKDYYNBUAAM-SNVBAGLBSA-N 2 2 243.351 -0.504 20 0 BBADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000040599796 173367670 /nfs/dbraw/zinc/36/76/70/173367670.db2.gz VDAHHYMDPFURSJ-VIFPVBQESA-N 2 2 242.323 -0.627 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000040599796 173367669 /nfs/dbraw/zinc/36/76/69/173367669.db2.gz VDAHHYMDPFURSJ-VIFPVBQESA-N 2 2 242.323 -0.627 20 0 BBADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040599799 173378549 /nfs/dbraw/zinc/37/85/49/173378549.db2.gz VDAHHYMDPFURSJ-SECBINFHSA-N 2 2 242.323 -0.627 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040599799 173378547 /nfs/dbraw/zinc/37/85/47/173378547.db2.gz VDAHHYMDPFURSJ-SECBINFHSA-N 2 2 242.323 -0.627 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000040601140 173368144 /nfs/dbraw/zinc/36/81/44/173368144.db2.gz ONUQOBUDTDMYAJ-QMMMGPOBSA-N 2 2 228.296 -0.887 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC000040601140 173368143 /nfs/dbraw/zinc/36/81/43/173368143.db2.gz ONUQOBUDTDMYAJ-QMMMGPOBSA-N 2 2 228.296 -0.887 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000040601142 173379353 /nfs/dbraw/zinc/37/93/53/173379353.db2.gz ONUQOBUDTDMYAJ-MRVPVSSYSA-N 2 2 228.296 -0.887 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC000040601142 173379352 /nfs/dbraw/zinc/37/93/52/173379352.db2.gz ONUQOBUDTDMYAJ-MRVPVSSYSA-N 2 2 228.296 -0.887 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000040601431 173379311 /nfs/dbraw/zinc/37/93/11/173379311.db2.gz MLXFUJPJOSVIKV-DTWKUNHWSA-N 2 2 242.323 -0.499 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000040601431 173379310 /nfs/dbraw/zinc/37/93/10/173379310.db2.gz MLXFUJPJOSVIKV-DTWKUNHWSA-N 2 2 242.323 -0.499 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000040601433 173378972 /nfs/dbraw/zinc/37/89/72/173378972.db2.gz MLXFUJPJOSVIKV-RKDXNWHRSA-N 2 2 242.323 -0.499 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000040601433 173378970 /nfs/dbraw/zinc/37/89/70/173378970.db2.gz MLXFUJPJOSVIKV-RKDXNWHRSA-N 2 2 242.323 -0.499 20 0 BBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000040629422 358496718 /nfs/dbraw/zinc/49/67/18/358496718.db2.gz VZZMFQPJSZSMNQ-VHSXEESVSA-N 2 2 227.308 -0.863 20 0 BBADLP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000040673651 173046142 /nfs/dbraw/zinc/04/61/42/173046142.db2.gz QRYNKOGDRJTKPQ-IUCAKERBSA-N 2 2 229.349 -0.141 20 0 BBADLP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000040673651 173046141 /nfs/dbraw/zinc/04/61/41/173046141.db2.gz QRYNKOGDRJTKPQ-IUCAKERBSA-N 2 2 229.349 -0.141 20 0 BBADLP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000040673652 173020052 /nfs/dbraw/zinc/02/00/52/173020052.db2.gz QRYNKOGDRJTKPQ-BDAKNGLRSA-N 2 2 229.349 -0.141 20 0 BBADLP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000040673652 173020049 /nfs/dbraw/zinc/02/00/49/173020049.db2.gz QRYNKOGDRJTKPQ-BDAKNGLRSA-N 2 2 229.349 -0.141 20 0 BBADLP CNC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746938 173267588 /nfs/dbraw/zinc/26/75/88/173267588.db2.gz FCNGELDCCMPWIJ-ULKQDVFKSA-N 2 2 211.309 -0.053 20 0 BBADLP CNC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746938 173267587 /nfs/dbraw/zinc/26/75/87/173267587.db2.gz FCNGELDCCMPWIJ-ULKQDVFKSA-N 2 2 211.309 -0.053 20 0 BBADLP C[N@@H+](CC(=O)NC(N)=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747129 358245628 /nfs/dbraw/zinc/24/56/28/358245628.db2.gz DGKVWGQAZJYBLK-JVHMLUBASA-N 2 2 240.307 -0.604 20 0 BBADLP C[N@H+](CC(=O)NC(N)=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747129 358245626 /nfs/dbraw/zinc/24/56/26/358245626.db2.gz DGKVWGQAZJYBLK-JVHMLUBASA-N 2 2 240.307 -0.604 20 0 BBADLP CC(C)[C@@H](CNC(=O)C[NH3+])N1CC[NH+](C)CC1 ZINC000040770516 641537043 /nfs/dbraw/zinc/53/70/43/641537043.db2.gz FPIRHWUVSPWKKU-LLVKDONJSA-N 2 2 242.367 -0.667 20 0 BBADLP CC(C)[C@@H](CNC(=O)C[NH3+])[NH+]1CCN(C)CC1 ZINC000040770516 641537035 /nfs/dbraw/zinc/53/70/35/641537035.db2.gz FPIRHWUVSPWKKU-LLVKDONJSA-N 2 2 242.367 -0.667 20 0 BBADLP CC(C)[C@H](CNC(=O)C[NH3+])N1CC[NH+](C)CC1 ZINC000040770518 641537598 /nfs/dbraw/zinc/53/75/98/641537598.db2.gz FPIRHWUVSPWKKU-NSHDSACASA-N 2 2 242.367 -0.667 20 0 BBADLP CC(C)[C@H](CNC(=O)C[NH3+])[NH+]1CCN(C)CC1 ZINC000040770518 641537596 /nfs/dbraw/zinc/53/75/96/641537596.db2.gz FPIRHWUVSPWKKU-NSHDSACASA-N 2 2 242.367 -0.667 20 0 BBADLP C[C@@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000040805178 352604964 /nfs/dbraw/zinc/60/49/64/352604964.db2.gz GLILCDMAOWNPFS-SECBINFHSA-N 2 2 229.324 -0.439 20 0 BBADLP CC[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000040805220 398168040 /nfs/dbraw/zinc/16/80/40/398168040.db2.gz MYUVKGNYTGFPQF-JTQLQIEISA-N 2 2 243.351 -0.049 20 0 BBADLP CC[C@@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000040805222 358246891 /nfs/dbraw/zinc/24/68/91/358246891.db2.gz MYUVKGNYTGFPQF-SNVBAGLBSA-N 2 2 243.351 -0.049 20 0 BBADLP C[C@H]([NH3+])CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000040805228 176756091 /nfs/dbraw/zinc/75/60/91/176756091.db2.gz APWXUEUSEJJITI-JTQLQIEISA-N 2 2 243.351 -0.049 20 0 BBADLP C[C@@H]([NH3+])CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000040805230 635421826 /nfs/dbraw/zinc/42/18/26/635421826.db2.gz APWXUEUSEJJITI-SNVBAGLBSA-N 2 2 243.351 -0.049 20 0 BBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(C)(C)[NH3+] ZINC000040921347 352600464 /nfs/dbraw/zinc/60/04/64/352600464.db2.gz XXXLNCOZTFQAFK-VIFPVBQESA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(C)(C)[NH3+] ZINC000040921350 352600124 /nfs/dbraw/zinc/60/01/24/352600124.db2.gz XXXLNCOZTFQAFK-SECBINFHSA-N 2 2 229.324 -0.439 20 0 BBADLP CC(C)([NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000040925020 323158320 /nfs/dbraw/zinc/15/83/20/323158320.db2.gz NSQUISICDCKWLO-UHFFFAOYSA-N 2 2 243.351 -0.049 20 0 BBADLP CNC(=O)NC(=O)CC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000041029287 173286193 /nfs/dbraw/zinc/28/61/93/173286193.db2.gz XRVYTAKHVNEGTL-QMMMGPOBSA-N 2 2 228.296 -0.745 20 0 BBADLP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000041029287 173286192 /nfs/dbraw/zinc/28/61/92/173286192.db2.gz XRVYTAKHVNEGTL-QMMMGPOBSA-N 2 2 228.296 -0.745 20 0 BBADLP CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000041029288 173286337 /nfs/dbraw/zinc/28/63/37/173286337.db2.gz XRVYTAKHVNEGTL-MRVPVSSYSA-N 2 2 228.296 -0.745 20 0 BBADLP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000041029288 173286336 /nfs/dbraw/zinc/28/63/36/173286336.db2.gz XRVYTAKHVNEGTL-MRVPVSSYSA-N 2 2 228.296 -0.745 20 0 BBADLP O=C(NCCn1cc[nH+]c1)[C@@H]1CCC[NH2+]1 ZINC000041042225 182215570 /nfs/dbraw/zinc/21/55/70/182215570.db2.gz PDMUUSKTXKMOOX-VIFPVBQESA-N 2 2 208.265 -0.249 20 0 BBADLP O=C(NCCn1cc[nH+]c1)[C@H]1CCC[NH2+]1 ZINC000041042226 182217448 /nfs/dbraw/zinc/21/74/48/182217448.db2.gz PDMUUSKTXKMOOX-SECBINFHSA-N 2 2 208.265 -0.249 20 0 BBADLP CC(C)[C@H]([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000041051013 191063761 /nfs/dbraw/zinc/06/37/61/191063761.db2.gz YENGAEBDQJRHBY-VIFPVBQESA-N 2 2 210.281 -0.017 20 0 BBADLP O=C(C[NH2+]CC1CC1)NCCn1cc[nH+]c1 ZINC000041051014 343414264 /nfs/dbraw/zinc/41/42/64/343414264.db2.gz JYIJKKVAZVDGTB-UHFFFAOYSA-N 2 2 222.292 -0.001 20 0 BBADLP O=C(NCCn1cc[nH+]c1)[C@@H]1CSC[NH2+]1 ZINC000041051015 182214557 /nfs/dbraw/zinc/21/45/57/182214557.db2.gz KIIWBIGEROWGMA-QMMMGPOBSA-N 2 2 226.305 -0.338 20 0 BBADLP O=C(NCCn1cc[nH+]c1)[C@H]1CSC[NH2+]1 ZINC000041051016 182216492 /nfs/dbraw/zinc/21/64/92/182216492.db2.gz KIIWBIGEROWGMA-MRVPVSSYSA-N 2 2 226.305 -0.338 20 0 BBADLP O=C(NCCn1cc[nH+]c1)[C@@H]1CCC[NH2+]C1 ZINC000041051020 182215565 /nfs/dbraw/zinc/21/55/65/182215565.db2.gz OIFUHHKHJZIBNZ-SNVBAGLBSA-N 2 2 222.292 -0.001 20 0 BBADLP O=C(NCCn1cc[nH+]c1)[C@H]1CCC[NH2+]C1 ZINC000041051021 182216580 /nfs/dbraw/zinc/21/65/80/182216580.db2.gz OIFUHHKHJZIBNZ-JTQLQIEISA-N 2 2 222.292 -0.001 20 0 BBADLP CC(C)[C@@H]([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000041051023 384653119 /nfs/dbraw/zinc/65/31/19/384653119.db2.gz YENGAEBDQJRHBY-SECBINFHSA-N 2 2 210.281 -0.017 20 0 BBADLP CC(C)[NH2+]CC(=O)NCCn1cc[nH+]c1 ZINC000041051045 487947604 /nfs/dbraw/zinc/94/76/04/487947604.db2.gz SIUATELLTNACSO-UHFFFAOYSA-N 2 2 210.281 -0.003 20 0 BBADLP O=C(C[NH2+]C1CC1)NCCn1cc[nH+]c1 ZINC000041051046 358241501 /nfs/dbraw/zinc/24/15/01/358241501.db2.gz PNRGIOGTFDSZIS-UHFFFAOYSA-N 2 2 208.265 -0.249 20 0 BBADLP C[NH2+]CCCC(=O)NCCn1cc[nH+]c1 ZINC000041051047 173344300 /nfs/dbraw/zinc/34/43/00/173344300.db2.gz NCGDFJZGOZVVNX-UHFFFAOYSA-N 2 2 210.281 -0.001 20 0 BBADLP CC[N@@H+](CC[NH3+])CCN1CCOCC1 ZINC000041055914 374103168 /nfs/dbraw/zinc/10/31/68/374103168.db2.gz IUUAJGYMNSXQGL-UHFFFAOYSA-N 2 2 201.314 -0.401 20 0 BBADLP CC[N@H+](CC[NH3+])CCN1CCOCC1 ZINC000041055914 374103164 /nfs/dbraw/zinc/10/31/64/374103164.db2.gz IUUAJGYMNSXQGL-UHFFFAOYSA-N 2 2 201.314 -0.401 20 0 BBADLP CCN(CC[NH3+])CC[NH+]1CCOCC1 ZINC000041055914 374103155 /nfs/dbraw/zinc/10/31/55/374103155.db2.gz IUUAJGYMNSXQGL-UHFFFAOYSA-N 2 2 201.314 -0.401 20 0 BBADLP CN(C)C(=O)CC[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000041059158 172358506 /nfs/dbraw/zinc/35/85/06/172358506.db2.gz QVVGIMHYEKATAW-SECBINFHSA-N 2 2 215.297 -0.876 20 0 BBADLP CN(C)C(=O)CC[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000041059158 172358505 /nfs/dbraw/zinc/35/85/05/172358505.db2.gz QVVGIMHYEKATAW-SECBINFHSA-N 2 2 215.297 -0.876 20 0 BBADLP CN(C)C(=O)CC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000041059159 172358551 /nfs/dbraw/zinc/35/85/51/172358551.db2.gz QVVGIMHYEKATAW-VIFPVBQESA-N 2 2 215.297 -0.876 20 0 BBADLP CN(C)C(=O)CC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000041059159 172358549 /nfs/dbraw/zinc/35/85/49/172358549.db2.gz QVVGIMHYEKATAW-VIFPVBQESA-N 2 2 215.297 -0.876 20 0 BBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000041120093 358301088 /nfs/dbraw/zinc/30/10/88/358301088.db2.gz JJPKZXDKNFYILF-VHSXEESVSA-N 2 2 238.291 -0.624 20 0 BBADLP Cn1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cn1 ZINC000041159805 180650108 /nfs/dbraw/zinc/65/01/08/180650108.db2.gz CIYBFGNXMWDOHX-LBPRGKRZSA-N 2 2 238.335 -0.034 20 0 BBADLP Cn1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cn1 ZINC000041159807 352607248 /nfs/dbraw/zinc/60/72/48/352607248.db2.gz CIYBFGNXMWDOHX-GFCCVEGCSA-N 2 2 238.335 -0.034 20 0 BBADLP CC[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC000041248814 358507417 /nfs/dbraw/zinc/50/74/17/358507417.db2.gz HOFXNSPWBMFENR-UHFFFAOYSA-N 2 2 227.352 -0.044 20 0 BBADLP C[NH+]1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000041248826 173078721 /nfs/dbraw/zinc/07/87/21/173078721.db2.gz XAJMBOZDPXFSDS-UHFFFAOYSA-N 2 2 227.352 -0.044 20 0 BBADLP O=C(C[C@H]1CCC[NH2+]1)NCC[NH+]1CCOCC1 ZINC000042165682 182027088 /nfs/dbraw/zinc/02/70/88/182027088.db2.gz JZAUBGDUJZGRMR-LLVKDONJSA-N 2 2 241.335 -0.423 20 0 BBADLP O=C(C[C@@H]1CCC[NH2+]1)NCC[NH+]1CCOCC1 ZINC000042165683 182017954 /nfs/dbraw/zinc/01/79/54/182017954.db2.gz JZAUBGDUJZGRMR-NSHDSACASA-N 2 2 241.335 -0.423 20 0 BBADLP O[C@H](C[NH2+]CCn1cc[nH+]c1)Cn1cccn1 ZINC000042541178 183224230 /nfs/dbraw/zinc/22/42/30/183224230.db2.gz FGHLLFGQLUAEQY-LLVKDONJSA-N 2 2 235.291 -0.270 20 0 BBADLP O[C@@H](C[NH2+]CCn1cc[nH+]c1)Cn1cccn1 ZINC000042541181 183178871 /nfs/dbraw/zinc/17/88/71/183178871.db2.gz FGHLLFGQLUAEQY-NSHDSACASA-N 2 2 235.291 -0.270 20 0 BBADLP O[C@@H](C[NH2+]CCn1cc[nH+]c1)C[NH+]1CCCC1 ZINC000042541299 362008251 /nfs/dbraw/zinc/00/82/51/362008251.db2.gz JLJGURNTHYEAII-LBPRGKRZSA-N 3 2 238.335 -0.071 20 0 BBADLP O[C@H](C[NH2+]CCn1cc[nH+]c1)C[NH+]1CCCC1 ZINC000042541302 183223908 /nfs/dbraw/zinc/22/39/08/183223908.db2.gz JLJGURNTHYEAII-GFCCVEGCSA-N 3 2 238.335 -0.071 20 0 BBADLP CCS(=O)(=O)CC[NH2+]CCn1cc[nH+]c1 ZINC000042541355 637280448 /nfs/dbraw/zinc/28/04/48/637280448.db2.gz XCIIKULKIQINFK-UHFFFAOYSA-N 2 2 231.321 -0.093 20 0 BBADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(=O)N(C)C ZINC000042570616 388444425 /nfs/dbraw/zinc/44/44/25/388444425.db2.gz OMMIVQJBCCZWFN-QWRGUYRKSA-N 2 2 243.351 -0.491 20 0 BBADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(=O)N(C)C ZINC000042570619 388444498 /nfs/dbraw/zinc/44/44/98/388444498.db2.gz OMMIVQJBCCZWFN-MNOVXSKESA-N 2 2 243.351 -0.491 20 0 BBADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(=O)N(C)C ZINC000042570622 388444448 /nfs/dbraw/zinc/44/44/48/388444448.db2.gz OMMIVQJBCCZWFN-WDEREUQCSA-N 2 2 243.351 -0.491 20 0 BBADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(=O)N(C)C ZINC000042570625 388444483 /nfs/dbraw/zinc/44/44/83/388444483.db2.gz OMMIVQJBCCZWFN-GHMZBOCLSA-N 2 2 243.351 -0.491 20 0 BBADLP C[NH2+]CCC(=O)NCC[NH+]1CCOCC1 ZINC000043599871 173340187 /nfs/dbraw/zinc/34/01/87/173340187.db2.gz OUEZKWUALMVJJK-UHFFFAOYSA-N 2 2 215.297 -0.956 20 0 BBADLP C[NH2+]CCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000043600186 173340954 /nfs/dbraw/zinc/34/09/54/173340954.db2.gz KVDPBUFOFBFHTF-VIFPVBQESA-N 2 2 210.281 -0.003 20 0 BBADLP C[NH2+]CCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000043600187 173341290 /nfs/dbraw/zinc/34/12/90/173341290.db2.gz KVDPBUFOFBFHTF-SECBINFHSA-N 2 2 210.281 -0.003 20 0 BBADLP C[NH2+]CCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000043600284 173340477 /nfs/dbraw/zinc/34/04/77/173340477.db2.gz JOMLXPLBPDSXOW-JTQLQIEISA-N 2 2 229.324 -0.567 20 0 BBADLP C[NH2+]CCC(=O)NCCCn1cc[nH+]c1 ZINC000043601154 173339756 /nfs/dbraw/zinc/33/97/56/173339756.db2.gz AHBUJBIDTJEXLX-UHFFFAOYSA-N 2 2 210.281 -0.001 20 0 BBADLP C[NH2+]CCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000043601155 173341523 /nfs/dbraw/zinc/34/15/23/173341523.db2.gz JOMLXPLBPDSXOW-SNVBAGLBSA-N 2 2 229.324 -0.567 20 0 BBADLP C[NH2+]CCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000043605829 173339850 /nfs/dbraw/zinc/33/98/50/173339850.db2.gz IPBMICCMFWINCE-UHFFFAOYSA-N 2 2 243.351 -0.177 20 0 BBADLP CC[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000043707754 352641848 /nfs/dbraw/zinc/64/18/48/352641848.db2.gz GMRZCQGVCDXCLR-JTQLQIEISA-N 2 2 227.308 -0.861 20 0 BBADLP CC[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000043707755 352641618 /nfs/dbraw/zinc/64/16/18/352641618.db2.gz GMRZCQGVCDXCLR-SNVBAGLBSA-N 2 2 227.308 -0.861 20 0 BBADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1C[NH2+]CCO1 ZINC000043707903 182179469 /nfs/dbraw/zinc/17/94/69/182179469.db2.gz KJFDWPJWVZKVEX-JTQLQIEISA-N 2 2 238.291 -0.622 20 0 BBADLP O=C(NCCCn1cc[nH+]c1)[C@H]1C[NH2+]CCO1 ZINC000043707904 182179462 /nfs/dbraw/zinc/17/94/62/182179462.db2.gz KJFDWPJWVZKVEX-SNVBAGLBSA-N 2 2 238.291 -0.622 20 0 BBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043708261 352641389 /nfs/dbraw/zinc/64/13/89/352641389.db2.gz WAMZAZKUKCLDRZ-UWVGGRQHSA-N 2 2 238.291 -0.624 20 0 BBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043708262 352641565 /nfs/dbraw/zinc/64/15/65/352641565.db2.gz WAMZAZKUKCLDRZ-ZJUUUORDSA-N 2 2 238.291 -0.624 20 0 BBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000043708263 352642008 /nfs/dbraw/zinc/64/20/08/352642008.db2.gz WAMZAZKUKCLDRZ-VHSXEESVSA-N 2 2 238.291 -0.624 20 0 BBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000043708264 352641842 /nfs/dbraw/zinc/64/18/42/352641842.db2.gz WAMZAZKUKCLDRZ-NXEZZACHSA-N 2 2 238.291 -0.624 20 0 BBADLP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH+](C2CC2)CC1 ZINC000043799434 352639150 /nfs/dbraw/zinc/63/91/50/352639150.db2.gz LKYJIMJYYIUEDE-NSHDSACASA-N 2 2 239.319 -0.719 20 0 BBADLP O=C([C@H]1C[NH2+]CCO1)N1CC[NH+](C2CC2)CC1 ZINC000043799436 352639061 /nfs/dbraw/zinc/63/90/61/352639061.db2.gz LKYJIMJYYIUEDE-LLVKDONJSA-N 2 2 239.319 -0.719 20 0 BBADLP COCC[NH+](CCOC)C[C@@H]1C[NH2+]CCO1 ZINC000043802590 488208342 /nfs/dbraw/zinc/20/83/42/488208342.db2.gz FEMNIABEWQSVOG-NSHDSACASA-N 2 2 232.324 -0.430 20 0 BBADLP COCC[NH+](CCOC)C[C@H]1C[NH2+]CCO1 ZINC000043802592 488208795 /nfs/dbraw/zinc/20/87/95/488208795.db2.gz FEMNIABEWQSVOG-LLVKDONJSA-N 2 2 232.324 -0.430 20 0 BBADLP COCCC[N@@H+](CCOC)C[C@@H]1C[NH2+]CCO1 ZINC000043802896 488209741 /nfs/dbraw/zinc/20/97/41/488209741.db2.gz UUZNDURGJDWUGP-LBPRGKRZSA-N 2 2 246.351 -0.040 20 0 BBADLP COCCC[N@H+](CCOC)C[C@@H]1C[NH2+]CCO1 ZINC000043802896 488209735 /nfs/dbraw/zinc/20/97/35/488209735.db2.gz UUZNDURGJDWUGP-LBPRGKRZSA-N 2 2 246.351 -0.040 20 0 BBADLP COCCC[N@@H+](CCOC)C[C@H]1C[NH2+]CCO1 ZINC000043802898 488209659 /nfs/dbraw/zinc/20/96/59/488209659.db2.gz UUZNDURGJDWUGP-GFCCVEGCSA-N 2 2 246.351 -0.040 20 0 BBADLP COCCC[N@H+](CCOC)C[C@H]1C[NH2+]CCO1 ZINC000043802898 488209655 /nfs/dbraw/zinc/20/96/55/488209655.db2.gz UUZNDURGJDWUGP-GFCCVEGCSA-N 2 2 246.351 -0.040 20 0 BBADLP CC[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000044294377 641595301 /nfs/dbraw/zinc/59/53/01/641595301.db2.gz UIOMGTWKBHJPJZ-UHFFFAOYSA-N 2 2 243.351 -0.177 20 0 BBADLP C[C@@H](CNC[C@H](O)C[NH+]1CCOCC1)[NH+](C)C ZINC000044317077 358407643 /nfs/dbraw/zinc/40/76/43/358407643.db2.gz PCFCLVXKSOFCHZ-RYUDHWBXSA-N 2 2 245.367 -0.781 20 0 BBADLP C[C@@H](CNC[C@@H](O)C[NH+]1CCOCC1)[NH+](C)C ZINC000044317079 358407799 /nfs/dbraw/zinc/40/77/99/358407799.db2.gz PCFCLVXKSOFCHZ-NWDGAFQWSA-N 2 2 245.367 -0.781 20 0 BBADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044529363 173286947 /nfs/dbraw/zinc/28/69/47/173286947.db2.gz PRXGVSBIFWJYHW-MRVPVSSYSA-N 2 2 228.296 -0.887 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044529363 173286946 /nfs/dbraw/zinc/28/69/46/173286946.db2.gz PRXGVSBIFWJYHW-MRVPVSSYSA-N 2 2 228.296 -0.887 20 0 BBADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044529365 173287408 /nfs/dbraw/zinc/28/74/08/173287408.db2.gz PRXGVSBIFWJYHW-QMMMGPOBSA-N 2 2 228.296 -0.887 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044529365 173287407 /nfs/dbraw/zinc/28/74/07/173287407.db2.gz PRXGVSBIFWJYHW-QMMMGPOBSA-N 2 2 228.296 -0.887 20 0 BBADLP CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044530172 170076522 /nfs/dbraw/zinc/07/65/22/170076522.db2.gz UGXCMAFLTBCUEM-SECBINFHSA-N 2 2 242.323 -0.497 20 0 BBADLP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044530172 170076521 /nfs/dbraw/zinc/07/65/21/170076521.db2.gz UGXCMAFLTBCUEM-SECBINFHSA-N 2 2 242.323 -0.497 20 0 BBADLP CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044530174 170076496 /nfs/dbraw/zinc/07/64/96/170076496.db2.gz UGXCMAFLTBCUEM-VIFPVBQESA-N 2 2 242.323 -0.497 20 0 BBADLP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044530174 170076494 /nfs/dbraw/zinc/07/64/94/170076494.db2.gz UGXCMAFLTBCUEM-VIFPVBQESA-N 2 2 242.323 -0.497 20 0 BBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531350 173288365 /nfs/dbraw/zinc/28/83/65/173288365.db2.gz YEKXBOQNTNMHPR-DTWKUNHWSA-N 2 2 242.323 -0.499 20 0 BBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531350 173288364 /nfs/dbraw/zinc/28/83/64/173288364.db2.gz YEKXBOQNTNMHPR-DTWKUNHWSA-N 2 2 242.323 -0.499 20 0 BBADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531352 173287825 /nfs/dbraw/zinc/28/78/25/173287825.db2.gz YEKXBOQNTNMHPR-RKDXNWHRSA-N 2 2 242.323 -0.499 20 0 BBADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531352 173287824 /nfs/dbraw/zinc/28/78/24/173287824.db2.gz YEKXBOQNTNMHPR-RKDXNWHRSA-N 2 2 242.323 -0.499 20 0 BBADLP CN1C(=O)C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC000044535924 358390012 /nfs/dbraw/zinc/39/00/12/358390012.db2.gz NFKMTQWUDYNGNF-NXEZZACHSA-N 2 2 239.319 -0.325 20 0 BBADLP CN1C(=O)C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C1=O ZINC000044535924 358390007 /nfs/dbraw/zinc/39/00/07/358390007.db2.gz NFKMTQWUDYNGNF-NXEZZACHSA-N 2 2 239.319 -0.325 20 0 BBADLP CN1C(=O)C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000044535926 358390165 /nfs/dbraw/zinc/39/01/65/358390165.db2.gz NFKMTQWUDYNGNF-VHSXEESVSA-N 2 2 239.319 -0.325 20 0 BBADLP CN1C(=O)C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000044535926 358390163 /nfs/dbraw/zinc/39/01/63/358390163.db2.gz NFKMTQWUDYNGNF-VHSXEESVSA-N 2 2 239.319 -0.325 20 0 BBADLP [NH3+]C[C@@H]1CCCC[N@H+]1CCN1C(=O)CCC1=O ZINC000044557917 386722334 /nfs/dbraw/zinc/72/23/34/386722334.db2.gz MSVHQFURUMLUAK-JTQLQIEISA-N 2 2 239.319 -0.051 20 0 BBADLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCN1C(=O)CCC1=O ZINC000044557917 386722329 /nfs/dbraw/zinc/72/23/29/386722329.db2.gz MSVHQFURUMLUAK-JTQLQIEISA-N 2 2 239.319 -0.051 20 0 BBADLP [NH3+]C[C@H]1CCCC[N@H+]1CCN1C(=O)CCC1=O ZINC000044557919 386723156 /nfs/dbraw/zinc/72/31/56/386723156.db2.gz MSVHQFURUMLUAK-SNVBAGLBSA-N 2 2 239.319 -0.051 20 0 BBADLP [NH3+]C[C@H]1CCCC[N@@H+]1CCN1C(=O)CCC1=O ZINC000044557919 386723149 /nfs/dbraw/zinc/72/31/49/386723149.db2.gz MSVHQFURUMLUAK-SNVBAGLBSA-N 2 2 239.319 -0.051 20 0 BBADLP CNC(=O)NC(=O)CC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000044557925 173286359 /nfs/dbraw/zinc/28/63/59/173286359.db2.gz DSDKGJFGPVTYOI-SECBINFHSA-N 2 2 242.323 -0.355 20 0 BBADLP CNC(=O)NC(=O)CC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000044557925 173286358 /nfs/dbraw/zinc/28/63/58/173286358.db2.gz DSDKGJFGPVTYOI-SECBINFHSA-N 2 2 242.323 -0.355 20 0 BBADLP CNC(=O)NC(=O)CC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000044557927 173286092 /nfs/dbraw/zinc/28/60/92/173286092.db2.gz DSDKGJFGPVTYOI-VIFPVBQESA-N 2 2 242.323 -0.355 20 0 BBADLP CNC(=O)NC(=O)CC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000044557927 173286091 /nfs/dbraw/zinc/28/60/91/173286091.db2.gz DSDKGJFGPVTYOI-VIFPVBQESA-N 2 2 242.323 -0.355 20 0 BBADLP CC[NH2+]CC(=O)NCCCn1cc[nH+]c1 ZINC000044646902 640445824 /nfs/dbraw/zinc/44/58/24/640445824.db2.gz IKCOOGKXSMCFOY-UHFFFAOYSA-N 2 2 210.281 -0.001 20 0 BBADLP CC[NH2+]CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000044647563 631819518 /nfs/dbraw/zinc/81/95/18/631819518.db2.gz NONNUMAAKFOCPD-VIFPVBQESA-N 2 2 210.281 -0.003 20 0 BBADLP CC[NH2+]CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000044647565 631818873 /nfs/dbraw/zinc/81/88/73/631818873.db2.gz NONNUMAAKFOCPD-SECBINFHSA-N 2 2 210.281 -0.003 20 0 BBADLP CC[NH2+]CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000044647986 643544729 /nfs/dbraw/zinc/54/47/29/643544729.db2.gz AHJNGNIBFBXWCM-JTQLQIEISA-N 2 2 229.324 -0.567 20 0 BBADLP CC[NH2+]CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000044647988 640445905 /nfs/dbraw/zinc/44/59/05/640445905.db2.gz AHJNGNIBFBXWCM-SNVBAGLBSA-N 2 2 229.324 -0.567 20 0 BBADLP CC[NH2+]CC(=O)N1CC[NH+](C2CC2)CC1 ZINC000044650688 640447675 /nfs/dbraw/zinc/44/76/75/640447675.db2.gz YLIJUXQLJOBTAS-UHFFFAOYSA-N 2 2 211.309 -0.098 20 0 BBADLP CCOC[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000044723370 385219198 /nfs/dbraw/zinc/21/91/98/385219198.db2.gz VRTZJAAATIQWPL-ZJUUUORDSA-N 2 2 204.314 -0.077 20 0 BBADLP CCOC[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000044723373 385219436 /nfs/dbraw/zinc/21/94/36/385219436.db2.gz VRTZJAAATIQWPL-UWVGGRQHSA-N 2 2 204.314 -0.077 20 0 BBADLP CCOC[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000044723376 385218164 /nfs/dbraw/zinc/21/81/64/385218164.db2.gz VRTZJAAATIQWPL-NXEZZACHSA-N 2 2 204.314 -0.077 20 0 BBADLP CCOC[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000044723379 385219113 /nfs/dbraw/zinc/21/91/13/385219113.db2.gz VRTZJAAATIQWPL-VHSXEESVSA-N 2 2 204.314 -0.077 20 0 BBADLP CCOC[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000044724369 537896404 /nfs/dbraw/zinc/89/64/04/537896404.db2.gz UKDIOTBXIKZHCC-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP CCOC[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000044724370 537897014 /nfs/dbraw/zinc/89/70/14/537897014.db2.gz UKDIOTBXIKZHCC-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP COCCOCC[N@H+]1CCC[NH2+]CC1 ZINC000044727840 174353349 /nfs/dbraw/zinc/35/33/49/174353349.db2.gz XJZCXRNEFPTBCI-UHFFFAOYSA-N 2 2 202.298 -0.055 20 0 BBADLP COCCOCC[N@@H+]1CCC[NH2+]CC1 ZINC000044727840 174353348 /nfs/dbraw/zinc/35/33/48/174353348.db2.gz XJZCXRNEFPTBCI-UHFFFAOYSA-N 2 2 202.298 -0.055 20 0 BBADLP CC(C)(C[NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000044751144 187354525 /nfs/dbraw/zinc/35/45/25/187354525.db2.gz CKYSUTDIMFZPEG-UHFFFAOYSA-N 2 2 229.324 -0.580 20 0 BBADLP CC(C)(C[NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000044751768 187354562 /nfs/dbraw/zinc/35/45/62/187354562.db2.gz AVBDNLPKIBTRDV-UHFFFAOYSA-N 2 2 229.324 -0.892 20 0 BBADLP CC(C)(C[NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000044751999 385224897 /nfs/dbraw/zinc/22/48/97/385224897.db2.gz JGXWXGGBYYNKHA-UHFFFAOYSA-N 2 2 210.281 -0.016 20 0 BBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(C)(C)C[NH3+] ZINC000044752085 352656130 /nfs/dbraw/zinc/65/61/30/352656130.db2.gz ZCVHXCMVEHMMMH-JTQLQIEISA-N 2 2 243.351 -0.192 20 0 BBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(C)(C)C[NH3+] ZINC000044752087 352656109 /nfs/dbraw/zinc/65/61/09/352656109.db2.gz ZCVHXCMVEHMMMH-SNVBAGLBSA-N 2 2 243.351 -0.192 20 0 BBADLP CC(C)[C@@H](C[NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000044794540 167394872 /nfs/dbraw/zinc/39/48/72/167394872.db2.gz ACLHWZVJSPMFIU-LLVKDONJSA-N 2 2 243.351 -0.334 20 0 BBADLP CC(C)[C@H](C[NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000044794543 358553783 /nfs/dbraw/zinc/55/37/83/358553783.db2.gz ACLHWZVJSPMFIU-NSHDSACASA-N 2 2 243.351 -0.334 20 0 BBADLP C[C@@H](C[NH3+])C(=O)NCCCn1cc[nH+]c1 ZINC000044800004 344548017 /nfs/dbraw/zinc/54/80/17/344548017.db2.gz ZKQJYDVLTWDMAV-VIFPVBQESA-N 2 2 210.281 -0.016 20 0 BBADLP C[C@H](C[NH3+])C(=O)NCCCn1cc[nH+]c1 ZINC000044800007 344547791 /nfs/dbraw/zinc/54/77/91/344547791.db2.gz ZKQJYDVLTWDMAV-SECBINFHSA-N 2 2 210.281 -0.016 20 0 BBADLP CC(C)[C@@H](C[NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000044802263 167394425 /nfs/dbraw/zinc/39/44/25/167394425.db2.gz RGNKQZNLFQNTKP-LLVKDONJSA-N 2 2 243.351 -0.646 20 0 BBADLP CC(C)[C@H](C[NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000044802265 187569742 /nfs/dbraw/zinc/56/97/42/187569742.db2.gz RGNKQZNLFQNTKP-NSHDSACASA-N 2 2 243.351 -0.646 20 0 BBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)C[NH3+] ZINC000044806120 344548622 /nfs/dbraw/zinc/54/86/22/344548622.db2.gz IDCJDRDHJCIZHA-IUCAKERBSA-N 2 2 210.281 -0.017 20 0 BBADLP C[C@H](C[NH3+])C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000044806122 344548395 /nfs/dbraw/zinc/54/83/95/344548395.db2.gz IDCJDRDHJCIZHA-BDAKNGLRSA-N 2 2 210.281 -0.017 20 0 BBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)C[NH3+] ZINC000044806124 344548579 /nfs/dbraw/zinc/54/85/79/344548579.db2.gz IDCJDRDHJCIZHA-DTWKUNHWSA-N 2 2 210.281 -0.017 20 0 BBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)C[NH3+] ZINC000044806126 176732571 /nfs/dbraw/zinc/73/25/71/176732571.db2.gz IDCJDRDHJCIZHA-RKDXNWHRSA-N 2 2 210.281 -0.017 20 0 BBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)C[NH3+] ZINC000044806192 352657124 /nfs/dbraw/zinc/65/71/24/352657124.db2.gz UTWJSEQGFDKMMD-UWVGGRQHSA-N 2 2 229.324 -0.582 20 0 BBADLP C[C@H](C[NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000044806194 352656989 /nfs/dbraw/zinc/65/69/89/352656989.db2.gz UTWJSEQGFDKMMD-ZJUUUORDSA-N 2 2 229.324 -0.582 20 0 BBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)C[NH3+] ZINC000044806196 352657401 /nfs/dbraw/zinc/65/74/01/352657401.db2.gz UTWJSEQGFDKMMD-VHSXEESVSA-N 2 2 229.324 -0.582 20 0 BBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)C[NH3+] ZINC000044806198 352657090 /nfs/dbraw/zinc/65/70/90/352657090.db2.gz UTWJSEQGFDKMMD-NXEZZACHSA-N 2 2 229.324 -0.582 20 0 BBADLP C[NH2+]CC(=O)NCCCCn1cc[nH+]c1 ZINC000045109209 358401008 /nfs/dbraw/zinc/40/10/08/358401008.db2.gz AKVRZANYGPSWQH-UHFFFAOYSA-N 2 2 210.281 -0.001 20 0 BBADLP COC[C@@H](C)C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000045696746 538993477 /nfs/dbraw/zinc/99/34/77/538993477.db2.gz NDJAGPBCYOGTPA-NSHDSACASA-N 2 2 243.351 -0.368 20 0 BBADLP COC[C@H](C)C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000045696748 538993645 /nfs/dbraw/zinc/99/36/45/538993645.db2.gz NDJAGPBCYOGTPA-LLVKDONJSA-N 2 2 243.351 -0.368 20 0 BBADLP C[NH+](C)CC(=O)N1CC[NH+](CCCO)CC1 ZINC000045944538 342992284 /nfs/dbraw/zinc/99/22/84/342992284.db2.gz FTSKXORNDLAXPV-UHFFFAOYSA-N 2 2 229.324 -0.925 20 0 BBADLP C[NH+](C)CCNC(=S)NCCn1cc[nH+]c1 ZINC000048041051 643690517 /nfs/dbraw/zinc/69/05/17/643690517.db2.gz SXSHHIBCUVFOGX-UHFFFAOYSA-N 2 2 241.364 -0.091 20 0 BBADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]CCS(C)(=O)=O ZINC000049235074 636042149 /nfs/dbraw/zinc/04/21/49/636042149.db2.gz AYXWNEZEUBROPF-VIFPVBQESA-N 2 2 231.321 -0.094 20 0 BBADLP C[C@H](Cn1cc[nH+]c1)[NH2+]CCS(C)(=O)=O ZINC000049235075 636041572 /nfs/dbraw/zinc/04/15/72/636041572.db2.gz AYXWNEZEUBROPF-SECBINFHSA-N 2 2 231.321 -0.094 20 0 BBADLP COCCCNC(=O)C[N@@H+](C)CCC[NH3+] ZINC000049282663 411229638 /nfs/dbraw/zinc/22/96/38/411229638.db2.gz VVZFFHHJAYYSTK-UHFFFAOYSA-N 2 2 217.313 -0.580 20 0 BBADLP COCCCNC(=O)C[N@H+](C)CCC[NH3+] ZINC000049282663 411229636 /nfs/dbraw/zinc/22/96/36/411229636.db2.gz VVZFFHHJAYYSTK-UHFFFAOYSA-N 2 2 217.313 -0.580 20 0 BBADLP C[N@@H+](CCC[NH3+])CC(=O)NCC(F)(F)F ZINC000049309648 411231350 /nfs/dbraw/zinc/23/13/50/411231350.db2.gz DXKVWSJKYSYJGM-UHFFFAOYSA-N 2 2 227.230 -0.055 20 0 BBADLP C[N@H+](CCC[NH3+])CC(=O)NCC(F)(F)F ZINC000049309648 411231348 /nfs/dbraw/zinc/23/13/48/411231348.db2.gz DXKVWSJKYSYJGM-UHFFFAOYSA-N 2 2 227.230 -0.055 20 0 BBADLP CC[N@@H+](CCO)CC(=O)N1CC[NH+](C)CC1 ZINC000049754546 358700480 /nfs/dbraw/zinc/70/04/80/358700480.db2.gz QMOONMDRKXQKJA-UHFFFAOYSA-N 2 2 229.324 -0.925 20 0 BBADLP CC[N@H+](CCO)CC(=O)N1CC[NH+](C)CC1 ZINC000049754546 358700479 /nfs/dbraw/zinc/70/04/79/358700479.db2.gz QMOONMDRKXQKJA-UHFFFAOYSA-N 2 2 229.324 -0.925 20 0 BBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](O)C2)CC1 ZINC000049773500 358700201 /nfs/dbraw/zinc/70/02/01/358700201.db2.gz PPRMYRBABFJKEI-NSHDSACASA-N 2 2 241.335 -0.783 20 0 BBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](O)C2)CC1 ZINC000049773500 358700198 /nfs/dbraw/zinc/70/01/98/358700198.db2.gz PPRMYRBABFJKEI-NSHDSACASA-N 2 2 241.335 -0.783 20 0 BBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](O)C2)CC1 ZINC000049773502 358700233 /nfs/dbraw/zinc/70/02/33/358700233.db2.gz PPRMYRBABFJKEI-LLVKDONJSA-N 2 2 241.335 -0.783 20 0 BBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000049773502 358700231 /nfs/dbraw/zinc/70/02/31/358700231.db2.gz PPRMYRBABFJKEI-LLVKDONJSA-N 2 2 241.335 -0.783 20 0 BBADLP CCC[N@@H+](CCO)CC(=O)N1CC[NH+](C)CC1 ZINC000049826030 358703508 /nfs/dbraw/zinc/70/35/08/358703508.db2.gz QSRJSTIKBDGPGT-UHFFFAOYSA-N 2 2 243.351 -0.535 20 0 BBADLP CCC[N@H+](CCO)CC(=O)N1CC[NH+](C)CC1 ZINC000049826030 358703504 /nfs/dbraw/zinc/70/35/04/358703504.db2.gz QSRJSTIKBDGPGT-UHFFFAOYSA-N 2 2 243.351 -0.535 20 0 BBADLP CC(C)[N@@H+](CCO)CC(=O)N1CC[NH+](C)CC1 ZINC000049826032 384684172 /nfs/dbraw/zinc/68/41/72/384684172.db2.gz LCDAQRNIADJWLZ-UHFFFAOYSA-N 2 2 243.351 -0.537 20 0 BBADLP CC(C)[N@H+](CCO)CC(=O)N1CC[NH+](C)CC1 ZINC000049826032 384684171 /nfs/dbraw/zinc/68/41/71/384684171.db2.gz LCDAQRNIADJWLZ-UHFFFAOYSA-N 2 2 243.351 -0.537 20 0 BBADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(O)CC2)CC1 ZINC000049855976 384687375 /nfs/dbraw/zinc/68/73/75/384687375.db2.gz NQFPICMEGXBSCM-UHFFFAOYSA-N 2 2 241.335 -0.783 20 0 BBADLP OCC[NH+](CCO)CCCn1cc[nH+]c1 ZINC000050103428 134648313 /nfs/dbraw/zinc/64/83/13/134648313.db2.gz FGZKFEYDINVSLM-UHFFFAOYSA-N 2 2 213.281 -0.440 20 0 BBADLP C[NH+]1CCN(C(=O)C[N@@H+](CCO)C2CC2)CC1 ZINC000050104007 358715928 /nfs/dbraw/zinc/71/59/28/358715928.db2.gz QNARZDZFFNHRRA-UHFFFAOYSA-N 2 2 241.335 -0.783 20 0 BBADLP C[NH+]1CCN(C(=O)C[N@H+](CCO)C2CC2)CC1 ZINC000050104007 358715925 /nfs/dbraw/zinc/71/59/25/358715925.db2.gz QNARZDZFFNHRRA-UHFFFAOYSA-N 2 2 241.335 -0.783 20 0 BBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000050114180 358717580 /nfs/dbraw/zinc/71/75/80/358717580.db2.gz OYVRGVBHGHOYDM-LLVKDONJSA-N 2 2 241.335 -0.783 20 0 BBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000050114180 358717577 /nfs/dbraw/zinc/71/75/77/358717577.db2.gz OYVRGVBHGHOYDM-LLVKDONJSA-N 2 2 241.335 -0.783 20 0 BBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2CO)CC1 ZINC000050114182 358716788 /nfs/dbraw/zinc/71/67/88/358716788.db2.gz OYVRGVBHGHOYDM-NSHDSACASA-N 2 2 241.335 -0.783 20 0 BBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000050114182 358716786 /nfs/dbraw/zinc/71/67/86/358716786.db2.gz OYVRGVBHGHOYDM-NSHDSACASA-N 2 2 241.335 -0.783 20 0 BBADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000050247037 631972284 /nfs/dbraw/zinc/97/22/84/631972284.db2.gz UWUWWPALLBFUHG-SNVBAGLBSA-N 2 2 211.309 -0.207 20 0 BBADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC000050247037 631972269 /nfs/dbraw/zinc/97/22/69/631972269.db2.gz UWUWWPALLBFUHG-SNVBAGLBSA-N 2 2 211.309 -0.207 20 0 BBADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000050247039 643662915 /nfs/dbraw/zinc/66/29/15/643662915.db2.gz UWUWWPALLBFUHG-JTQLQIEISA-N 2 2 211.309 -0.207 20 0 BBADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC000050247039 643662911 /nfs/dbraw/zinc/66/29/11/643662911.db2.gz UWUWWPALLBFUHG-JTQLQIEISA-N 2 2 211.309 -0.207 20 0 BBADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050247202 169236386 /nfs/dbraw/zinc/23/63/86/169236386.db2.gz RLOXBIWKSWWFOM-SECBINFHSA-N 2 2 242.323 -0.497 20 0 BBADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050247202 169236385 /nfs/dbraw/zinc/23/63/85/169236385.db2.gz RLOXBIWKSWWFOM-SECBINFHSA-N 2 2 242.323 -0.497 20 0 BBADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000050247204 169236307 /nfs/dbraw/zinc/23/63/07/169236307.db2.gz RLOXBIWKSWWFOM-VIFPVBQESA-N 2 2 242.323 -0.497 20 0 BBADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000050247204 169236306 /nfs/dbraw/zinc/23/63/06/169236306.db2.gz RLOXBIWKSWWFOM-VIFPVBQESA-N 2 2 242.323 -0.497 20 0 BBADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C[NH3+])C2)CCO1 ZINC000050247677 643660945 /nfs/dbraw/zinc/66/09/45/643660945.db2.gz UZXIVLCVQWHLHA-GHMZBOCLSA-N 2 2 241.335 -0.486 20 0 BBADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)CCO1 ZINC000050247677 643660938 /nfs/dbraw/zinc/66/09/38/643660938.db2.gz UZXIVLCVQWHLHA-GHMZBOCLSA-N 2 2 241.335 -0.486 20 0 BBADLP C[C@H]1CN(C(=O)C[N@H+]2CC[C@H](C[NH3+])C2)CCO1 ZINC000050247679 643660878 /nfs/dbraw/zinc/66/08/78/643660878.db2.gz UZXIVLCVQWHLHA-WDEREUQCSA-N 2 2 241.335 -0.486 20 0 BBADLP C[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)CCO1 ZINC000050247679 643660873 /nfs/dbraw/zinc/66/08/73/643660873.db2.gz UZXIVLCVQWHLHA-WDEREUQCSA-N 2 2 241.335 -0.486 20 0 BBADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000050247829 643661099 /nfs/dbraw/zinc/66/10/99/643661099.db2.gz FKCAEQVGTYJBFE-MRVPVSSYSA-N 2 2 240.307 -0.745 20 0 BBADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000050247829 643661073 /nfs/dbraw/zinc/66/10/73/643661073.db2.gz FKCAEQVGTYJBFE-MRVPVSSYSA-N 2 2 240.307 -0.745 20 0 BBADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000050247830 643661215 /nfs/dbraw/zinc/66/12/15/643661215.db2.gz FKCAEQVGTYJBFE-QMMMGPOBSA-N 2 2 240.307 -0.745 20 0 BBADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000050247830 643661208 /nfs/dbraw/zinc/66/12/08/643661208.db2.gz FKCAEQVGTYJBFE-QMMMGPOBSA-N 2 2 240.307 -0.745 20 0 BBADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000050248020 411255636 /nfs/dbraw/zinc/25/56/36/411255636.db2.gz FCXKRECGJBIPIZ-GHMZBOCLSA-N 2 2 241.335 -0.438 20 0 BBADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000050248020 411255635 /nfs/dbraw/zinc/25/56/35/411255635.db2.gz FCXKRECGJBIPIZ-GHMZBOCLSA-N 2 2 241.335 -0.438 20 0 BBADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000050248021 411256042 /nfs/dbraw/zinc/25/60/42/411256042.db2.gz FCXKRECGJBIPIZ-MNOVXSKESA-N 2 2 241.335 -0.438 20 0 BBADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000050248021 411256040 /nfs/dbraw/zinc/25/60/40/411256040.db2.gz FCXKRECGJBIPIZ-MNOVXSKESA-N 2 2 241.335 -0.438 20 0 BBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050248081 170075911 /nfs/dbraw/zinc/07/59/11/170075911.db2.gz FPJKAOZYZGMJOP-MRVPVSSYSA-N 2 2 228.296 -0.887 20 0 BBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050248081 170075910 /nfs/dbraw/zinc/07/59/10/170075910.db2.gz FPJKAOZYZGMJOP-MRVPVSSYSA-N 2 2 228.296 -0.887 20 0 BBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000050248082 170076015 /nfs/dbraw/zinc/07/60/15/170076015.db2.gz FPJKAOZYZGMJOP-QMMMGPOBSA-N 2 2 228.296 -0.887 20 0 BBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000050248082 170076014 /nfs/dbraw/zinc/07/60/14/170076014.db2.gz FPJKAOZYZGMJOP-QMMMGPOBSA-N 2 2 228.296 -0.887 20 0 BBADLP [NH3+][C@@H]1C[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000050458142 343021853 /nfs/dbraw/zinc/02/18/53/343021853.db2.gz UBDYAQKXAGZLOA-DTWKUNHWSA-N 2 2 208.265 -0.263 20 0 BBADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050463247 387795402 /nfs/dbraw/zinc/79/54/02/387795402.db2.gz LNTYWPIZWLLUEL-SFYZADRCSA-N 2 2 208.265 -0.274 20 0 BBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050464925 343614925 /nfs/dbraw/zinc/61/49/25/343614925.db2.gz QCWNMYFARPPWOM-YIZRAAEISA-N 2 2 208.265 -0.265 20 0 BBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050464927 343022749 /nfs/dbraw/zinc/02/27/49/343022749.db2.gz QCWNMYFARPPWOM-HLTSFMKQSA-N 2 2 208.265 -0.265 20 0 BBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050464959 350343422 /nfs/dbraw/zinc/34/34/22/350343422.db2.gz NOUCSNMRAOBMAM-AEJSXWLSSA-N 2 2 227.308 -0.830 20 0 BBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050464960 343022946 /nfs/dbraw/zinc/02/29/46/343022946.db2.gz NOUCSNMRAOBMAM-BBBLOLIVSA-N 2 2 227.308 -0.830 20 0 BBADLP Cn1cc(C[NH+]2CCN(CCC[NH3+])CC2)cn1 ZINC000050539179 343162686 /nfs/dbraw/zinc/16/26/86/343162686.db2.gz MNAXUGHUXXEMDO-UHFFFAOYSA-N 2 2 237.351 -0.114 20 0 BBADLP Cn1cc(CN2CC[NH+](CCC[NH3+])CC2)cn1 ZINC000050539179 343162683 /nfs/dbraw/zinc/16/26/83/343162683.db2.gz MNAXUGHUXXEMDO-UHFFFAOYSA-N 2 2 237.351 -0.114 20 0 BBADLP Cn1cc(C[NH+]2CCN(CC[NH3+])CC2)cn1 ZINC000050539183 641174400 /nfs/dbraw/zinc/17/44/00/641174400.db2.gz OYMUBOJKLPPCHR-UHFFFAOYSA-N 2 2 223.324 -0.504 20 0 BBADLP Cn1cc[nH+]c1N1CC[NH+](CCO)CC1 ZINC000050607083 384401016 /nfs/dbraw/zinc/40/10/16/384401016.db2.gz ZGQNXDWNIHZJRH-UHFFFAOYSA-N 2 2 210.281 -0.466 20 0 BBADLP COCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051761868 358761126 /nfs/dbraw/zinc/76/11/26/358761126.db2.gz RGGSANKXNNNWPT-UHFFFAOYSA-N 2 2 229.324 -0.661 20 0 BBADLP COCCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051763400 134684738 /nfs/dbraw/zinc/68/47/38/134684738.db2.gz UBQDUUDRPMJPSV-UHFFFAOYSA-N 2 2 243.351 -0.271 20 0 BBADLP C[C@H](O)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000051821317 358764313 /nfs/dbraw/zinc/76/43/13/358764313.db2.gz XPMWISIYIVGUHB-JTQLQIEISA-N 2 2 229.324 -0.927 20 0 BBADLP C[C@H](O)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000051821317 358764311 /nfs/dbraw/zinc/76/43/11/358764311.db2.gz XPMWISIYIVGUHB-JTQLQIEISA-N 2 2 229.324 -0.927 20 0 BBADLP C[C@@H](O)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000051821318 358764404 /nfs/dbraw/zinc/76/44/04/358764404.db2.gz XPMWISIYIVGUHB-SNVBAGLBSA-N 2 2 229.324 -0.927 20 0 BBADLP C[C@@H](O)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000051821318 358764402 /nfs/dbraw/zinc/76/44/02/358764402.db2.gz XPMWISIYIVGUHB-SNVBAGLBSA-N 2 2 229.324 -0.927 20 0 BBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CO)C2)CC1 ZINC000051886607 173067280 /nfs/dbraw/zinc/06/72/80/173067280.db2.gz MZNVWJADHZRJRL-NSHDSACASA-N 2 2 241.335 -0.925 20 0 BBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CO)C2)CC1 ZINC000051886607 173067278 /nfs/dbraw/zinc/06/72/78/173067278.db2.gz MZNVWJADHZRJRL-NSHDSACASA-N 2 2 241.335 -0.925 20 0 BBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](CO)C2)CC1 ZINC000051886608 173066557 /nfs/dbraw/zinc/06/65/57/173066557.db2.gz MZNVWJADHZRJRL-LLVKDONJSA-N 2 2 241.335 -0.925 20 0 BBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](CO)C2)CC1 ZINC000051886608 173066554 /nfs/dbraw/zinc/06/65/54/173066554.db2.gz MZNVWJADHZRJRL-LLVKDONJSA-N 2 2 241.335 -0.925 20 0 BBADLP CC(=O)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000051889353 411284975 /nfs/dbraw/zinc/28/49/75/411284975.db2.gz GANAJGDMNIABJH-LLVKDONJSA-N 2 2 211.309 -0.240 20 0 BBADLP CC(=O)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000051889355 411285089 /nfs/dbraw/zinc/28/50/89/411285089.db2.gz GANAJGDMNIABJH-NSHDSACASA-N 2 2 211.309 -0.240 20 0 BBADLP C[N@H+](CC(=O)NC1CC1)C[C@@H]1CC[NH2+]C1 ZINC000051889853 410570704 /nfs/dbraw/zinc/57/07/04/410570704.db2.gz RAUQJDNYQVIUSU-SECBINFHSA-N 2 2 211.309 -0.194 20 0 BBADLP C[N@@H+](CC(=O)NC1CC1)C[C@@H]1CC[NH2+]C1 ZINC000051889853 410570695 /nfs/dbraw/zinc/57/06/95/410570695.db2.gz RAUQJDNYQVIUSU-SECBINFHSA-N 2 2 211.309 -0.194 20 0 BBADLP C[N@H+](CC(=O)NC1CC1)C[C@H]1CC[NH2+]C1 ZINC000051889855 411285139 /nfs/dbraw/zinc/28/51/39/411285139.db2.gz RAUQJDNYQVIUSU-VIFPVBQESA-N 2 2 211.309 -0.194 20 0 BBADLP C[N@@H+](CC(=O)NC1CC1)C[C@H]1CC[NH2+]C1 ZINC000051889855 411285136 /nfs/dbraw/zinc/28/51/36/411285136.db2.gz RAUQJDNYQVIUSU-VIFPVBQESA-N 2 2 211.309 -0.194 20 0 BBADLP CC(C)[C@@H](CNC(N)=[NH2+])[NH+]1CCN(C)CC1 ZINC000052020218 358771508 /nfs/dbraw/zinc/77/15/08/358771508.db2.gz CSWUWCJEDBKLSW-SNVBAGLBSA-N 2 2 227.356 -0.259 20 0 BBADLP CC(C)[C@H](CNC(N)=[NH2+])[NH+]1CCN(C)CC1 ZINC000052020219 358771540 /nfs/dbraw/zinc/77/15/40/358771540.db2.gz CSWUWCJEDBKLSW-JTQLQIEISA-N 2 2 227.356 -0.259 20 0 BBADLP CC[NH2+]Cc1cn(CC[NH+]2CCOCC2)nn1 ZINC000052377824 488054555 /nfs/dbraw/zinc/05/45/55/488054555.db2.gz WRYJMHHEZRPRCU-UHFFFAOYSA-N 2 2 239.323 -0.280 20 0 BBADLP [NH3+]CCC[NH+]1CCN(c2cccnn2)CC1 ZINC000052815638 132362602 /nfs/dbraw/zinc/36/26/02/132362602.db2.gz CNYLOIHDYMBJOE-UHFFFAOYSA-N 2 2 221.308 -0.053 20 0 BBADLP [NH3+]CC[N@H+]1CCCN(c2cccnn2)CC1 ZINC000052815644 181391614 /nfs/dbraw/zinc/39/16/14/181391614.db2.gz HPLDUQPKVWHYHF-UHFFFAOYSA-N 2 2 221.308 -0.053 20 0 BBADLP [NH3+]CC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000052815644 181391613 /nfs/dbraw/zinc/39/16/13/181391613.db2.gz HPLDUQPKVWHYHF-UHFFFAOYSA-N 2 2 221.308 -0.053 20 0 BBADLP CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H]([NH2+]C)C1 ZINC000053203423 173286082 /nfs/dbraw/zinc/28/60/82/173286082.db2.gz LOZAPHOMKMEXIA-SECBINFHSA-N 2 2 242.323 -0.484 20 0 BBADLP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]([NH2+]C)C1 ZINC000053203423 173286081 /nfs/dbraw/zinc/28/60/81/173286081.db2.gz LOZAPHOMKMEXIA-SECBINFHSA-N 2 2 242.323 -0.484 20 0 BBADLP CNC(=O)NC(=O)CC[N@H+]1CCC[C@H]([NH2+]C)C1 ZINC000053203424 173286075 /nfs/dbraw/zinc/28/60/75/173286075.db2.gz LOZAPHOMKMEXIA-VIFPVBQESA-N 2 2 242.323 -0.484 20 0 BBADLP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H]([NH2+]C)C1 ZINC000053203424 173286074 /nfs/dbraw/zinc/28/60/74/173286074.db2.gz LOZAPHOMKMEXIA-VIFPVBQESA-N 2 2 242.323 -0.484 20 0 BBADLP C[NH2+][C@@H]1CCC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000053203429 387020400 /nfs/dbraw/zinc/02/04/00/387020400.db2.gz ZMUASETWCQLODV-MRVPVSSYSA-N 2 2 228.296 -0.745 20 0 BBADLP C[NH2+][C@@H]1CCC[N@H+](CCC(=O)NC(N)=O)C1 ZINC000053203429 387020396 /nfs/dbraw/zinc/02/03/96/387020396.db2.gz ZMUASETWCQLODV-MRVPVSSYSA-N 2 2 228.296 -0.745 20 0 BBADLP C[NH2+][C@H]1CCC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000053203430 387020340 /nfs/dbraw/zinc/02/03/40/387020340.db2.gz ZMUASETWCQLODV-QMMMGPOBSA-N 2 2 228.296 -0.745 20 0 BBADLP C[NH2+][C@H]1CCC[N@H+](CCC(=O)NC(N)=O)C1 ZINC000053203430 387020337 /nfs/dbraw/zinc/02/03/37/387020337.db2.gz ZMUASETWCQLODV-QMMMGPOBSA-N 2 2 228.296 -0.745 20 0 BBADLP O=C(CC[N@H+]1CCC[NH2+]CC1)N1CC[NH2+]CC1 ZINC000053299073 385638142 /nfs/dbraw/zinc/63/81/42/385638142.db2.gz MBBZZUCKPQEWSX-UHFFFAOYSA-N 3 2 240.351 -0.896 20 0 BBADLP O=C(CC[N@@H+]1CCC[NH2+]CC1)N1CC[NH2+]CC1 ZINC000053299073 385638138 /nfs/dbraw/zinc/63/81/38/385638138.db2.gz MBBZZUCKPQEWSX-UHFFFAOYSA-N 3 2 240.351 -0.896 20 0 BBADLP C[NH2+][C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000054071676 487681176 /nfs/dbraw/zinc/68/11/76/487681176.db2.gz JEDDFQFWOSKZMU-VIFPVBQESA-N 2 2 215.297 -0.957 20 0 BBADLP C[NH2+][C@@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000054071913 348874704 /nfs/dbraw/zinc/87/47/04/348874704.db2.gz LSZDPVMRDVGSTK-VIFPVBQESA-N 2 2 210.281 -0.003 20 0 BBADLP C[NH2+][C@@H](C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000054072648 348888615 /nfs/dbraw/zinc/88/86/15/348888615.db2.gz NTUXYDHOZNJPLF-IUCAKERBSA-N 2 2 210.281 -0.004 20 0 BBADLP C[NH2+][C@@H](C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000054072650 348888309 /nfs/dbraw/zinc/88/83/09/348888309.db2.gz NTUXYDHOZNJPLF-BDAKNGLRSA-N 2 2 210.281 -0.004 20 0 BBADLP C[NH2+][C@@H](C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000054073068 348888699 /nfs/dbraw/zinc/88/86/99/348888699.db2.gz MVEIREJVUFYQPL-UWVGGRQHSA-N 2 2 229.324 -0.569 20 0 BBADLP C[NH2+][C@@H](C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000054073070 348888444 /nfs/dbraw/zinc/88/84/44/348888444.db2.gz MVEIREJVUFYQPL-ZJUUUORDSA-N 2 2 229.324 -0.569 20 0 BBADLP C[NH2+][C@@H](C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000054075471 385594329 /nfs/dbraw/zinc/59/43/29/385594329.db2.gz LWORPVYDODDEHN-QMMMGPOBSA-N 2 2 210.281 -0.014 20 0 BBADLP C[NH2+][C@@H](C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000054075581 385593982 /nfs/dbraw/zinc/59/39/82/385593982.db2.gz GDTVVSJWMSSNOR-VIFPVBQESA-N 2 2 211.309 -0.099 20 0 BBADLP C[NH2+][C@@H](C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000054076119 348878663 /nfs/dbraw/zinc/87/86/63/348878663.db2.gz DWQWULNFAAKRMK-JTQLQIEISA-N 2 2 243.351 -0.179 20 0 BBADLP CC[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC000054263442 170114458 /nfs/dbraw/zinc/11/44/58/170114458.db2.gz QSRJWCIHAZCXEE-UHFFFAOYSA-N 2 2 210.281 -0.001 20 0 BBADLP C[C@@H](C[NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000054343589 386121673 /nfs/dbraw/zinc/12/16/73/386121673.db2.gz WPNXQHOLJGBDGG-JTQLQIEISA-N 2 2 243.351 -0.192 20 0 BBADLP C[C@H](C[NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000054343593 386120827 /nfs/dbraw/zinc/12/08/27/386120827.db2.gz WPNXQHOLJGBDGG-SNVBAGLBSA-N 2 2 243.351 -0.192 20 0 BBADLP C[C@@H]1C[NH2+]CCN1CC[NH+]1CCOCC1 ZINC000054374313 176327101 /nfs/dbraw/zinc/32/71/01/176327101.db2.gz HLQMOLLZRMBGEJ-LLVKDONJSA-N 2 2 213.325 -0.388 20 0 BBADLP C[C@H]1C[NH2+]CCN1CC[NH+]1CCOCC1 ZINC000054374314 177283737 /nfs/dbraw/zinc/28/37/37/177283737.db2.gz HLQMOLLZRMBGEJ-NSHDSACASA-N 2 2 213.325 -0.388 20 0 BBADLP C[N@@H+](CC[NH3+])CCN1C(=O)NC(C)(C)C1=O ZINC000054418355 411335300 /nfs/dbraw/zinc/33/53/00/411335300.db2.gz STUBVMZWINXHCD-UHFFFAOYSA-N 2 2 228.296 -0.793 20 0 BBADLP C[N@H+](CC[NH3+])CCN1C(=O)NC(C)(C)C1=O ZINC000054418355 411335299 /nfs/dbraw/zinc/33/52/99/411335299.db2.gz STUBVMZWINXHCD-UHFFFAOYSA-N 2 2 228.296 -0.793 20 0 BBADLP Cc1nc(N2CCN(CC[NH3+])CC2)cc[nH+]1 ZINC000054935414 132235446 /nfs/dbraw/zinc/23/54/46/132235446.db2.gz VWJCCAUZHJANKB-UHFFFAOYSA-N 2 2 221.308 -0.134 20 0 BBADLP CCOCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000058577272 136271949 /nfs/dbraw/zinc/27/19/49/136271949.db2.gz LIQGPXIQQLYBMM-UHFFFAOYSA-N 2 2 243.351 -0.271 20 0 BBADLP CCNC(=[NH2+])NCC[N@@H+](C)CCOC ZINC000061399641 640959410 /nfs/dbraw/zinc/95/94/10/640959410.db2.gz MQHNCHQRZVABAM-UHFFFAOYSA-N 2 2 202.302 -0.302 20 0 BBADLP CCNC(=[NH2+])NCC[N@H+](C)CCOC ZINC000061399641 640959406 /nfs/dbraw/zinc/95/94/06/640959406.db2.gz MQHNCHQRZVABAM-UHFFFAOYSA-N 2 2 202.302 -0.302 20 0 BBADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCCOCC1 ZINC000061934936 188302688 /nfs/dbraw/zinc/30/26/88/188302688.db2.gz ULOXWHCRALREPR-JTQLQIEISA-N 2 2 200.282 -0.303 20 0 BBADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCCOCC1 ZINC000061934936 188302687 /nfs/dbraw/zinc/30/26/87/188302687.db2.gz ULOXWHCRALREPR-JTQLQIEISA-N 2 2 200.282 -0.303 20 0 BBADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CCCOCC1 ZINC000061934937 188302400 /nfs/dbraw/zinc/30/24/00/188302400.db2.gz ULOXWHCRALREPR-SNVBAGLBSA-N 2 2 200.282 -0.303 20 0 BBADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCCOCC1 ZINC000061934937 188302398 /nfs/dbraw/zinc/30/23/98/188302398.db2.gz ULOXWHCRALREPR-SNVBAGLBSA-N 2 2 200.282 -0.303 20 0 BBADLP COCCC[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000062036325 487492874 /nfs/dbraw/zinc/49/28/74/487492874.db2.gz PJCYSVSDGUWELQ-JTQLQIEISA-N 2 2 202.298 -0.057 20 0 BBADLP COCCC[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000062036325 487492871 /nfs/dbraw/zinc/49/28/71/487492871.db2.gz PJCYSVSDGUWELQ-JTQLQIEISA-N 2 2 202.298 -0.057 20 0 BBADLP COCCC[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000062036326 487492908 /nfs/dbraw/zinc/49/29/08/487492908.db2.gz PJCYSVSDGUWELQ-SNVBAGLBSA-N 2 2 202.298 -0.057 20 0 BBADLP COCCC[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000062036326 487492903 /nfs/dbraw/zinc/49/29/03/487492903.db2.gz PJCYSVSDGUWELQ-SNVBAGLBSA-N 2 2 202.298 -0.057 20 0 BBADLP O=C(NCC[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000062112396 182186519 /nfs/dbraw/zinc/18/65/19/182186519.db2.gz JQBIOSOYXMFQGQ-JTQLQIEISA-N 2 2 227.308 -0.956 20 0 BBADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1CC[NH2+]C1 ZINC000062112647 387849580 /nfs/dbraw/zinc/84/95/80/387849580.db2.gz HMVQNXJWUZIIMS-SNVBAGLBSA-N 2 2 222.292 -0.001 20 0 BBADLP O=C(NCCCn1cc[nH+]c1)[C@H]1CC[NH2+]C1 ZINC000062112648 387849329 /nfs/dbraw/zinc/84/93/29/387849329.db2.gz HMVQNXJWUZIIMS-JTQLQIEISA-N 2 2 222.292 -0.001 20 0 BBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062113091 386502980 /nfs/dbraw/zinc/50/29/80/386502980.db2.gz LPTAXFONBPMYCM-VHSXEESVSA-N 2 2 222.292 -0.003 20 0 BBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062113092 386502187 /nfs/dbraw/zinc/50/21/87/386502187.db2.gz LPTAXFONBPMYCM-NXEZZACHSA-N 2 2 222.292 -0.003 20 0 BBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[NH2+]C1 ZINC000062113093 386502073 /nfs/dbraw/zinc/50/20/73/386502073.db2.gz LPTAXFONBPMYCM-UWVGGRQHSA-N 2 2 222.292 -0.003 20 0 BBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[NH2+]C1 ZINC000062113094 386503506 /nfs/dbraw/zinc/50/35/06/386503506.db2.gz LPTAXFONBPMYCM-ZJUUUORDSA-N 2 2 222.292 -0.003 20 0 BBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062113297 386502497 /nfs/dbraw/zinc/50/24/97/386502497.db2.gz OZXZNOHCCHJLFL-WDEREUQCSA-N 2 2 241.335 -0.567 20 0 BBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062113298 386501831 /nfs/dbraw/zinc/50/18/31/386501831.db2.gz OZXZNOHCCHJLFL-GHMZBOCLSA-N 2 2 241.335 -0.567 20 0 BBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[NH2+]C1 ZINC000062113299 386503038 /nfs/dbraw/zinc/50/30/38/386503038.db2.gz OZXZNOHCCHJLFL-QWRGUYRKSA-N 2 2 241.335 -0.567 20 0 BBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[NH2+]C1 ZINC000062113300 386501812 /nfs/dbraw/zinc/50/18/12/386501812.db2.gz OZXZNOHCCHJLFL-MNOVXSKESA-N 2 2 241.335 -0.567 20 0 BBADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000062246715 368574050 /nfs/dbraw/zinc/57/40/50/368574050.db2.gz BKHYRCSZHUZOEO-JGVFFNPUSA-N 2 2 206.249 -0.428 20 0 BBADLP Cn1ccnc1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000062252309 349462521 /nfs/dbraw/zinc/46/25/21/349462521.db2.gz RKVUZMKEOOHOTQ-UHFFFAOYSA-N 2 2 237.351 -0.243 20 0 BBADLP Cn1ccnc1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000062252309 349462519 /nfs/dbraw/zinc/46/25/19/349462519.db2.gz RKVUZMKEOOHOTQ-UHFFFAOYSA-N 2 2 237.351 -0.243 20 0 BBADLP O=C([C@H]1CSC[NH2+]1)N1CCn2cc[nH+]c2C1 ZINC000062254675 386506885 /nfs/dbraw/zinc/50/68/85/386506885.db2.gz QLMDFFRGABEQLP-MRVPVSSYSA-N 2 2 238.316 -0.112 20 0 BBADLP CN(Cc1[nH+]ccn1C)C[C@@H]1C[NH2+]CCO1 ZINC000062322038 487497636 /nfs/dbraw/zinc/49/76/36/487497636.db2.gz HQROXCSPIOJHKK-JTQLQIEISA-N 2 2 224.308 -0.160 20 0 BBADLP CN(Cc1[nH+]ccn1C)C[C@H]1C[NH2+]CCO1 ZINC000062322041 487497641 /nfs/dbraw/zinc/49/76/41/487497641.db2.gz HQROXCSPIOJHKK-SNVBAGLBSA-N 2 2 224.308 -0.160 20 0 BBADLP CC[NH+]1CCN(Cc2c[nH+]c(N)nc2N)CC1 ZINC000062339185 411203854 /nfs/dbraw/zinc/20/38/54/411203854.db2.gz YEARJUYRSNPXBV-UHFFFAOYSA-N 2 2 236.323 -0.222 20 0 BBADLP C[NH+]1CCN(Cc2c[nH+]c(N)nc2N)CC1 ZINC000062339215 491083577 /nfs/dbraw/zinc/08/35/77/491083577.db2.gz CWLGISLTFGSTGM-UHFFFAOYSA-N 2 2 222.296 -0.612 20 0 BBADLP C[C@]1(C(=O)NCC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000062889408 386528157 /nfs/dbraw/zinc/52/81/57/386528157.db2.gz WNXHXCXJODLASK-LBPRGKRZSA-N 2 2 241.335 -0.566 20 0 BBADLP C[C@@]1(C(=O)NCC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000062889409 386529489 /nfs/dbraw/zinc/52/94/89/386529489.db2.gz WNXHXCXJODLASK-GFCCVEGCSA-N 2 2 241.335 -0.566 20 0 BBADLP C[C@]1(C(=O)N2CC[NH+](CCO)CC2)CC[NH2+]C1 ZINC000062890558 386529551 /nfs/dbraw/zinc/52/95/51/386529551.db2.gz SZVXHBMUIUHVID-LBPRGKRZSA-N 2 2 241.335 -0.878 20 0 BBADLP C[C@@]1(C(=O)N2CC[NH+](CCO)CC2)CC[NH2+]C1 ZINC000062890559 386528409 /nfs/dbraw/zinc/52/84/09/386528409.db2.gz SZVXHBMUIUHVID-GFCCVEGCSA-N 2 2 241.335 -0.878 20 0 BBADLP C[C@]1(C(=O)NCCn2cc[nH+]c2)CC[NH2+]C1 ZINC000062901033 385196291 /nfs/dbraw/zinc/19/62/91/385196291.db2.gz SAYWYSKCEKQYQZ-NSHDSACASA-N 2 2 222.292 -0.001 20 0 BBADLP C[C@@]1(C(=O)NCCn2cc[nH+]c2)CC[NH2+]C1 ZINC000062901035 385196344 /nfs/dbraw/zinc/19/63/44/385196344.db2.gz SAYWYSKCEKQYQZ-LLVKDONJSA-N 2 2 222.292 -0.001 20 0 BBADLP [NH3+]CCCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976801 181371189 /nfs/dbraw/zinc/37/11/89/181371189.db2.gz SYCLOTCXKWKXHY-LLVKDONJSA-N 2 2 241.335 -0.342 20 0 BBADLP [NH3+]CCCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976802 181371314 /nfs/dbraw/zinc/37/13/14/181371314.db2.gz SYCLOTCXKWKXHY-NSHDSACASA-N 2 2 241.335 -0.342 20 0 BBADLP CC[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976845 386535597 /nfs/dbraw/zinc/53/55/97/386535597.db2.gz HPZUYLXMEDVSQQ-QWRGUYRKSA-N 2 2 241.335 -0.343 20 0 BBADLP CC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976847 386535473 /nfs/dbraw/zinc/53/54/73/386535473.db2.gz HPZUYLXMEDVSQQ-MNOVXSKESA-N 2 2 241.335 -0.343 20 0 BBADLP C[N@@H+](CCC[NH3+])CCCS(C)(=O)=O ZINC000063014521 411332939 /nfs/dbraw/zinc/33/29/39/411332939.db2.gz KFAGMKHLYNJIRE-UHFFFAOYSA-N 2 2 208.327 -0.298 20 0 BBADLP C[N@H+](CCC[NH3+])CCCS(C)(=O)=O ZINC000063014521 411332936 /nfs/dbraw/zinc/33/29/36/411332936.db2.gz KFAGMKHLYNJIRE-UHFFFAOYSA-N 2 2 208.327 -0.298 20 0 BBADLP C[NH2+]C[C@@H]1CCCC[N@H+]1CCC(=O)NC(N)=O ZINC000063168662 641141170 /nfs/dbraw/zinc/14/11/70/641141170.db2.gz HEKCODMURGXHRQ-VIFPVBQESA-N 2 2 242.323 -0.355 20 0 BBADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1CCC(=O)NC(N)=O ZINC000063168662 641141167 /nfs/dbraw/zinc/14/11/67/641141167.db2.gz HEKCODMURGXHRQ-VIFPVBQESA-N 2 2 242.323 -0.355 20 0 BBADLP C[NH2+]C[C@H]1CCCC[N@H+]1CCC(=O)NC(N)=O ZINC000063168663 641140486 /nfs/dbraw/zinc/14/04/86/641140486.db2.gz HEKCODMURGXHRQ-SECBINFHSA-N 2 2 242.323 -0.355 20 0 BBADLP C[NH2+]C[C@H]1CCCC[N@@H+]1CCC(=O)NC(N)=O ZINC000063168663 641140477 /nfs/dbraw/zinc/14/04/77/641140477.db2.gz HEKCODMURGXHRQ-SECBINFHSA-N 2 2 242.323 -0.355 20 0 BBADLP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1CCOCC1 ZINC000063464968 388662007 /nfs/dbraw/zinc/66/20/07/388662007.db2.gz WDINLGSVVGFPRS-UHFFFAOYSA-N 2 2 243.351 -0.225 20 0 BBADLP CC(C)[N@H+](C)CC(=O)NCC[NH+]1CCOCC1 ZINC000063464968 388662003 /nfs/dbraw/zinc/66/20/03/388662003.db2.gz WDINLGSVVGFPRS-UHFFFAOYSA-N 2 2 243.351 -0.225 20 0 BBADLP O[C@@H](CNCc1[nH]cc[nH+]1)C[NH+]1CCCC1 ZINC000067671826 183180177 /nfs/dbraw/zinc/18/01/77/183180177.db2.gz KQMXAANDAAMJAV-JTQLQIEISA-N 2 2 224.308 -0.044 20 0 BBADLP O[C@H](CNCc1[nH]cc[nH+]1)C[NH+]1CCCC1 ZINC000067671827 183225278 /nfs/dbraw/zinc/22/52/78/183225278.db2.gz KQMXAANDAAMJAV-SNVBAGLBSA-N 2 2 224.308 -0.044 20 0 BBADLP CCOC[C@H](O)C[N@H+]1CCC[NH2+]CC1 ZINC000068890492 642807556 /nfs/dbraw/zinc/80/75/56/642807556.db2.gz ZFYBVBKSCCETBG-SNVBAGLBSA-N 2 2 202.298 -0.321 20 0 BBADLP CCOC[C@H](O)C[N@@H+]1CCC[NH2+]CC1 ZINC000068890492 642807548 /nfs/dbraw/zinc/80/75/48/642807548.db2.gz ZFYBVBKSCCETBG-SNVBAGLBSA-N 2 2 202.298 -0.321 20 0 BBADLP CCOC[C@@H](O)C[N@H+]1CCC[NH2+]CC1 ZINC000068890493 642806942 /nfs/dbraw/zinc/80/69/42/642806942.db2.gz ZFYBVBKSCCETBG-JTQLQIEISA-N 2 2 202.298 -0.321 20 0 BBADLP CCOC[C@@H](O)C[N@@H+]1CCC[NH2+]CC1 ZINC000068890493 642806936 /nfs/dbraw/zinc/80/69/36/642806936.db2.gz ZFYBVBKSCCETBG-JTQLQIEISA-N 2 2 202.298 -0.321 20 0 BBADLP COC[C@@H](O)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000068891843 349930760 /nfs/dbraw/zinc/93/07/60/349930760.db2.gz WEFUEKGWYGNVBC-UWVGGRQHSA-N 2 2 213.281 -0.132 20 0 BBADLP COC[C@@H](O)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000068891844 349931115 /nfs/dbraw/zinc/93/11/15/349931115.db2.gz WEFUEKGWYGNVBC-ZJUUUORDSA-N 2 2 213.281 -0.132 20 0 BBADLP COC[C@H](O)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000068891845 349930933 /nfs/dbraw/zinc/93/09/33/349930933.db2.gz WEFUEKGWYGNVBC-VHSXEESVSA-N 2 2 213.281 -0.132 20 0 BBADLP COC[C@H](O)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000068891846 349930961 /nfs/dbraw/zinc/93/09/61/349930961.db2.gz WEFUEKGWYGNVBC-NXEZZACHSA-N 2 2 213.281 -0.132 20 0 BBADLP COCC[N@@H+](C)CC[NH2+]C[C@H](O)COC ZINC000068892037 323086462 /nfs/dbraw/zinc/08/64/62/323086462.db2.gz JHRHGYPFYFESMA-JTQLQIEISA-N 2 2 220.313 -0.839 20 0 BBADLP COCC[N@H+](C)CC[NH2+]C[C@H](O)COC ZINC000068892037 323086461 /nfs/dbraw/zinc/08/64/61/323086461.db2.gz JHRHGYPFYFESMA-JTQLQIEISA-N 2 2 220.313 -0.839 20 0 BBADLP COCC[N@@H+](C)CC[NH2+]C[C@@H](O)COC ZINC000068892038 343251663 /nfs/dbraw/zinc/25/16/63/343251663.db2.gz JHRHGYPFYFESMA-SNVBAGLBSA-N 2 2 220.313 -0.839 20 0 BBADLP COCC[N@H+](C)CC[NH2+]C[C@@H](O)COC ZINC000068892038 343251660 /nfs/dbraw/zinc/25/16/60/343251660.db2.gz JHRHGYPFYFESMA-SNVBAGLBSA-N 2 2 220.313 -0.839 20 0 BBADLP COC[C@H](O)C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000068892328 643432664 /nfs/dbraw/zinc/43/26/64/643432664.db2.gz XQEXRAWSHMDUQM-NXEZZACHSA-N 2 2 202.298 -0.193 20 0 BBADLP COC[C@H](O)C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000068892328 643432659 /nfs/dbraw/zinc/43/26/59/643432659.db2.gz XQEXRAWSHMDUQM-NXEZZACHSA-N 2 2 202.298 -0.193 20 0 BBADLP CCOC[C@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000068951672 349932504 /nfs/dbraw/zinc/93/25/04/349932504.db2.gz SMQBEUOFNQPQGR-SNVBAGLBSA-N 2 2 213.281 -0.130 20 0 BBADLP CCOC[C@@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000068951674 349932536 /nfs/dbraw/zinc/93/25/36/349932536.db2.gz SMQBEUOFNQPQGR-JTQLQIEISA-N 2 2 213.281 -0.130 20 0 BBADLP CCOC[C@H](O)C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000068953507 643436738 /nfs/dbraw/zinc/43/67/38/643436738.db2.gz VSCORGYKOOKWDR-VHSXEESVSA-N 2 2 202.298 -0.193 20 0 BBADLP CCOC[C@H](O)C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000068953507 643436736 /nfs/dbraw/zinc/43/67/36/643436736.db2.gz VSCORGYKOOKWDR-VHSXEESVSA-N 2 2 202.298 -0.193 20 0 BBADLP CCOC[C@@H](O)C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000068953510 642814484 /nfs/dbraw/zinc/81/44/84/642814484.db2.gz VSCORGYKOOKWDR-UWVGGRQHSA-N 2 2 202.298 -0.193 20 0 BBADLP CCOC[C@@H](O)C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000068953510 642814480 /nfs/dbraw/zinc/81/44/80/642814480.db2.gz VSCORGYKOOKWDR-UWVGGRQHSA-N 2 2 202.298 -0.193 20 0 BBADLP CN(C)c1[nH+]cc(C[NH2+]CCCO)n1C ZINC000069717979 383842269 /nfs/dbraw/zinc/84/22/69/383842269.db2.gz RBAPHXXDZXCGRR-UHFFFAOYSA-N 2 2 212.297 -0.042 20 0 BBADLP CNC(=O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000069717997 359033074 /nfs/dbraw/zinc/03/30/74/359033074.db2.gz VNHHSGSYTTUFOV-UHFFFAOYSA-N 2 2 225.296 -0.678 20 0 BBADLP C[C@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000069717999 343290108 /nfs/dbraw/zinc/29/01/08/343290108.db2.gz JOWOGBWSYHYMTB-QMMMGPOBSA-N 2 2 212.297 -0.044 20 0 BBADLP C[C@@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000069718003 383842634 /nfs/dbraw/zinc/84/26/34/383842634.db2.gz JOWOGBWSYHYMTB-MRVPVSSYSA-N 2 2 212.297 -0.044 20 0 BBADLP C[C@@H](CO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000069718006 343290248 /nfs/dbraw/zinc/29/02/48/343290248.db2.gz VHTRSINIFHHOGX-QMMMGPOBSA-N 2 2 212.297 -0.044 20 0 BBADLP C[C@H](CO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000069718007 383841936 /nfs/dbraw/zinc/84/19/36/383841936.db2.gz VHTRSINIFHHOGX-MRVPVSSYSA-N 2 2 212.297 -0.044 20 0 BBADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(N)=O ZINC000069718018 411153262 /nfs/dbraw/zinc/15/32/62/411153262.db2.gz OOPIQIKCOVPGLE-SSDOTTSWSA-N 2 2 225.296 -0.551 20 0 BBADLP [NH3+]CCCCC(=O)NCC[NH+]1CCOCC1 ZINC000069732771 349954586 /nfs/dbraw/zinc/95/45/86/349954586.db2.gz HNAMSWHCOBMLLQ-UHFFFAOYSA-N 2 2 229.324 -0.436 20 0 BBADLP C[NH2+]CCN(C)C(=O)CCn1cc[nH+]c1 ZINC000069801511 173351192 /nfs/dbraw/zinc/35/11/92/173351192.db2.gz UMSYKQVTQHGUPG-UHFFFAOYSA-N 2 2 210.281 -0.049 20 0 BBADLP C[C@H]([NH3+])CCC(=O)NCC[NH+]1CCOCC1 ZINC000069838877 398248902 /nfs/dbraw/zinc/24/89/02/398248902.db2.gz LFFPTPNVKSGPTI-JTQLQIEISA-N 2 2 229.324 -0.438 20 0 BBADLP C[C@@H]([NH3+])CCC(=O)NCC[NH+]1CCOCC1 ZINC000069838878 398248932 /nfs/dbraw/zinc/24/89/32/398248932.db2.gz LFFPTPNVKSGPTI-SNVBAGLBSA-N 2 2 229.324 -0.438 20 0 BBADLP COCCOCC[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000070028342 174352272 /nfs/dbraw/zinc/35/22/72/174352272.db2.gz DJRDUVZWTMPQHA-SNVBAGLBSA-N 2 2 202.298 -0.057 20 0 BBADLP COCCOCC[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000070028342 174352270 /nfs/dbraw/zinc/35/22/70/174352270.db2.gz DJRDUVZWTMPQHA-SNVBAGLBSA-N 2 2 202.298 -0.057 20 0 BBADLP COCCOCC[N@@H+](C)[C@H]1CC[NH2+]C1 ZINC000070028344 174351659 /nfs/dbraw/zinc/35/16/59/174351659.db2.gz DJRDUVZWTMPQHA-JTQLQIEISA-N 2 2 202.298 -0.057 20 0 BBADLP COCCOCC[N@H+](C)[C@H]1CC[NH2+]C1 ZINC000070028344 174351657 /nfs/dbraw/zinc/35/16/57/174351657.db2.gz DJRDUVZWTMPQHA-JTQLQIEISA-N 2 2 202.298 -0.057 20 0 BBADLP CC(C)([NH3+])CCC(=O)NCC[NH+]1CCOCC1 ZINC000070086530 487537678 /nfs/dbraw/zinc/53/76/78/487537678.db2.gz JIFOIYDYEVZYRJ-UHFFFAOYSA-N 2 2 243.351 -0.048 20 0 BBADLP CN(C)c1[nH+]cc(C[NH2+]CCOCCO)n1C ZINC000070142898 359043634 /nfs/dbraw/zinc/04/36/34/359043634.db2.gz VSZBOQCCEKYATJ-UHFFFAOYSA-N 2 2 242.323 -0.415 20 0 BBADLP CN(C)C(=O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070142984 359043398 /nfs/dbraw/zinc/04/33/98/359043398.db2.gz HBALLKFZLSKONT-UHFFFAOYSA-N 2 2 239.323 -0.336 20 0 BBADLP CCNC(=O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070143024 359042994 /nfs/dbraw/zinc/04/29/94/359042994.db2.gz RAZJVTYNZVKOFS-UHFFFAOYSA-N 2 2 239.323 -0.288 20 0 BBADLP CNC(=O)CC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070144003 359043530 /nfs/dbraw/zinc/04/35/30/359043530.db2.gz KMWNKYKIERJDTI-UHFFFAOYSA-N 2 2 239.323 -0.288 20 0 BBADLP CNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070149667 173287236 /nfs/dbraw/zinc/28/72/36/173287236.db2.gz ZJTBEZICYVAKAV-SECBINFHSA-N 2 2 242.323 -0.355 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070149667 173287235 /nfs/dbraw/zinc/28/72/35/173287235.db2.gz ZJTBEZICYVAKAV-SECBINFHSA-N 2 2 242.323 -0.355 20 0 BBADLP CNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000070149668 173287166 /nfs/dbraw/zinc/28/71/66/173287166.db2.gz ZJTBEZICYVAKAV-VIFPVBQESA-N 2 2 242.323 -0.355 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000070149668 173287165 /nfs/dbraw/zinc/28/71/65/173287165.db2.gz ZJTBEZICYVAKAV-VIFPVBQESA-N 2 2 242.323 -0.355 20 0 BBADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000070174055 173287448 /nfs/dbraw/zinc/28/74/48/173287448.db2.gz LNPUZKWJKNQGLQ-DTWKUNHWSA-N 2 2 242.323 -0.499 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000070174055 173287447 /nfs/dbraw/zinc/28/74/47/173287447.db2.gz LNPUZKWJKNQGLQ-DTWKUNHWSA-N 2 2 242.323 -0.499 20 0 BBADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070174056 173287269 /nfs/dbraw/zinc/28/72/69/173287269.db2.gz LNPUZKWJKNQGLQ-RKDXNWHRSA-N 2 2 242.323 -0.499 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070174056 173287268 /nfs/dbraw/zinc/28/72/68/173287268.db2.gz LNPUZKWJKNQGLQ-RKDXNWHRSA-N 2 2 242.323 -0.499 20 0 BBADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000070174057 173286869 /nfs/dbraw/zinc/28/68/69/173286869.db2.gz LNPUZKWJKNQGLQ-IUCAKERBSA-N 2 2 242.323 -0.499 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000070174057 173286868 /nfs/dbraw/zinc/28/68/68/173286868.db2.gz LNPUZKWJKNQGLQ-IUCAKERBSA-N 2 2 242.323 -0.499 20 0 BBADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070174058 173287073 /nfs/dbraw/zinc/28/70/73/173287073.db2.gz LNPUZKWJKNQGLQ-BDAKNGLRSA-N 2 2 242.323 -0.499 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070174058 173287072 /nfs/dbraw/zinc/28/70/72/173287072.db2.gz LNPUZKWJKNQGLQ-BDAKNGLRSA-N 2 2 242.323 -0.499 20 0 BBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CCCC[NH3+] ZINC000070201811 349976464 /nfs/dbraw/zinc/97/64/64/349976464.db2.gz SILDNPRPXNKZEK-NSHDSACASA-N 2 2 243.351 -0.048 20 0 BBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CCCC[NH3+] ZINC000070201812 349976169 /nfs/dbraw/zinc/97/61/69/349976169.db2.gz SILDNPRPXNKZEK-LLVKDONJSA-N 2 2 243.351 -0.048 20 0 BBADLP C[C@H]([NH3+])CCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000070315224 387063608 /nfs/dbraw/zinc/06/36/08/387063608.db2.gz MNSKWAZTCSBFQD-QWRGUYRKSA-N 2 2 243.351 -0.049 20 0 BBADLP C[C@@H]([NH3+])CCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000070315225 387063910 /nfs/dbraw/zinc/06/39/10/387063910.db2.gz MNSKWAZTCSBFQD-MNOVXSKESA-N 2 2 243.351 -0.049 20 0 BBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CC[C@H](C)[NH3+] ZINC000070315226 387065432 /nfs/dbraw/zinc/06/54/32/387065432.db2.gz MNSKWAZTCSBFQD-WDEREUQCSA-N 2 2 243.351 -0.049 20 0 BBADLP C[C@@H]([NH3+])CCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000070315227 175804476 /nfs/dbraw/zinc/80/44/76/175804476.db2.gz MNSKWAZTCSBFQD-GHMZBOCLSA-N 2 2 243.351 -0.049 20 0 BBADLP C[NH2+]C1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000070582611 411317388 /nfs/dbraw/zinc/31/73/88/411317388.db2.gz QMBCWFALFUGWQX-SNVBAGLBSA-N 2 2 211.309 -0.099 20 0 BBADLP C[NH2+]C1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000070582612 411317407 /nfs/dbraw/zinc/31/74/07/411317407.db2.gz QMBCWFALFUGWQX-JTQLQIEISA-N 2 2 211.309 -0.099 20 0 BBADLP C[NH+]1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000070618448 350030959 /nfs/dbraw/zinc/03/09/59/350030959.db2.gz PEGIZFJJCHVRPR-LLVKDONJSA-N 2 2 211.309 -0.098 20 0 BBADLP C[NH+]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000070618449 350030988 /nfs/dbraw/zinc/03/09/88/350030988.db2.gz PEGIZFJJCHVRPR-NSHDSACASA-N 2 2 211.309 -0.098 20 0 BBADLP O=C(NCc1[nH]cc[nH+]1)[C@@H]1CSC[NH2+]1 ZINC000070646644 182273855 /nfs/dbraw/zinc/27/38/55/182273855.db2.gz MXQSLGSNNDEJED-LURJTMIESA-N 2 2 212.278 -0.312 20 0 BBADLP O=C(NCc1[nH]cc[nH+]1)[C@H]1CSC[NH2+]1 ZINC000070646645 182274038 /nfs/dbraw/zinc/27/40/38/182274038.db2.gz MXQSLGSNNDEJED-ZCFIWIBFSA-N 2 2 212.278 -0.312 20 0 BBADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC000070799902 173369954 /nfs/dbraw/zinc/36/99/54/173369954.db2.gz ICFSURSCOXWOLQ-VIFPVBQESA-N 2 2 211.309 -0.194 20 0 BBADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC000070799902 173369952 /nfs/dbraw/zinc/36/99/52/173369952.db2.gz ICFSURSCOXWOLQ-VIFPVBQESA-N 2 2 211.309 -0.194 20 0 BBADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC000070799905 173380567 /nfs/dbraw/zinc/38/05/67/173380567.db2.gz ICFSURSCOXWOLQ-SECBINFHSA-N 2 2 211.309 -0.194 20 0 BBADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC000070799905 173380565 /nfs/dbraw/zinc/38/05/65/173380565.db2.gz ICFSURSCOXWOLQ-SECBINFHSA-N 2 2 211.309 -0.194 20 0 BBADLP C[N@@H+](CCN1CC[NH2+]CC1)[C@@H]1CCOC1=O ZINC000070800500 643069334 /nfs/dbraw/zinc/06/93/34/643069334.db2.gz XTMBZJWAGCRKTL-SNVBAGLBSA-N 2 2 227.308 -0.861 20 0 BBADLP C[N@H+](CCN1CC[NH2+]CC1)[C@@H]1CCOC1=O ZINC000070800500 643069329 /nfs/dbraw/zinc/06/93/29/643069329.db2.gz XTMBZJWAGCRKTL-SNVBAGLBSA-N 2 2 227.308 -0.861 20 0 BBADLP C[N@@H+](CCN1CC[NH2+]CC1)[C@H]1CCOC1=O ZINC000070800501 643070690 /nfs/dbraw/zinc/07/06/90/643070690.db2.gz XTMBZJWAGCRKTL-JTQLQIEISA-N 2 2 227.308 -0.861 20 0 BBADLP C[N@H+](CCN1CC[NH2+]CC1)[C@H]1CCOC1=O ZINC000070800501 643070682 /nfs/dbraw/zinc/07/06/82/643070682.db2.gz XTMBZJWAGCRKTL-JTQLQIEISA-N 2 2 227.308 -0.861 20 0 BBADLP CCOC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000070800529 343114458 /nfs/dbraw/zinc/11/44/58/343114458.db2.gz XSZWIHPMLMHRLQ-UHFFFAOYSA-N 2 2 229.324 -0.614 20 0 BBADLP CCOC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000070800529 343114456 /nfs/dbraw/zinc/11/44/56/343114456.db2.gz XSZWIHPMLMHRLQ-UHFFFAOYSA-N 2 2 229.324 -0.614 20 0 BBADLP COC(=O)[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000070800607 343114739 /nfs/dbraw/zinc/11/47/39/343114739.db2.gz TYIFXQQISYSLRF-JTQLQIEISA-N 2 2 229.324 -0.615 20 0 BBADLP COC(=O)[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000070800607 343114738 /nfs/dbraw/zinc/11/47/38/343114738.db2.gz TYIFXQQISYSLRF-JTQLQIEISA-N 2 2 229.324 -0.615 20 0 BBADLP COC(=O)[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000070800608 343114666 /nfs/dbraw/zinc/11/46/66/343114666.db2.gz TYIFXQQISYSLRF-SNVBAGLBSA-N 2 2 229.324 -0.615 20 0 BBADLP COC(=O)[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000070800608 343114663 /nfs/dbraw/zinc/11/46/63/343114663.db2.gz TYIFXQQISYSLRF-SNVBAGLBSA-N 2 2 229.324 -0.615 20 0 BBADLP CNC(=O)[C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000070833841 490239685 /nfs/dbraw/zinc/23/96/85/490239685.db2.gz JBHZAPPQMAFIBF-UWVGGRQHSA-N 2 2 227.308 -0.815 20 0 BBADLP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000070833841 490239682 /nfs/dbraw/zinc/23/96/82/490239682.db2.gz JBHZAPPQMAFIBF-UWVGGRQHSA-N 2 2 227.308 -0.815 20 0 BBADLP CNC(=O)[C@H]1CCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000070833844 490240021 /nfs/dbraw/zinc/24/00/21/490240021.db2.gz JBHZAPPQMAFIBF-VHSXEESVSA-N 2 2 227.308 -0.815 20 0 BBADLP CNC(=O)[C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000070833844 490240017 /nfs/dbraw/zinc/24/00/17/490240017.db2.gz JBHZAPPQMAFIBF-VHSXEESVSA-N 2 2 227.308 -0.815 20 0 BBADLP CC(C)C[N@H+](CC(N)=O)C[C@@H]1C[NH2+]CCO1 ZINC000070833871 490239910 /nfs/dbraw/zinc/23/99/10/490239910.db2.gz FJVASELBXCKTML-JTQLQIEISA-N 2 2 229.324 -0.582 20 0 BBADLP CC(C)C[N@@H+](CC(N)=O)C[C@@H]1C[NH2+]CCO1 ZINC000070833871 490239908 /nfs/dbraw/zinc/23/99/08/490239908.db2.gz FJVASELBXCKTML-JTQLQIEISA-N 2 2 229.324 -0.582 20 0 BBADLP CC(C)C[N@H+](CC(N)=O)C[C@H]1C[NH2+]CCO1 ZINC000070833874 490239589 /nfs/dbraw/zinc/23/95/89/490239589.db2.gz FJVASELBXCKTML-SNVBAGLBSA-N 2 2 229.324 -0.582 20 0 BBADLP CC(C)C[N@@H+](CC(N)=O)C[C@H]1C[NH2+]CCO1 ZINC000070833874 490239585 /nfs/dbraw/zinc/23/95/85/490239585.db2.gz FJVASELBXCKTML-SNVBAGLBSA-N 2 2 229.324 -0.582 20 0 BBADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000070854704 387078948 /nfs/dbraw/zinc/07/89/48/387078948.db2.gz NWIXFVVLWOLCSN-QMMMGPOBSA-N 2 2 208.265 -0.212 20 0 BBADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000070854819 180744975 /nfs/dbraw/zinc/74/49/75/180744975.db2.gz YLTDCVMGHLPWLH-ZETCQYMHSA-N 2 2 226.305 -0.301 20 0 BBADLP Cn1cc[nH+]c1CNC(=O)[C@H]1CSC[NH2+]1 ZINC000070854824 383955970 /nfs/dbraw/zinc/95/59/70/383955970.db2.gz YLTDCVMGHLPWLH-SSDOTTSWSA-N 2 2 226.305 -0.301 20 0 BBADLP Cn1cc[nH+]c1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000070854828 387078048 /nfs/dbraw/zinc/07/80/48/387078048.db2.gz NWIXFVVLWOLCSN-MRVPVSSYSA-N 2 2 208.265 -0.212 20 0 BBADLP CNC(=O)NC(=O)CC[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000070894793 173286599 /nfs/dbraw/zinc/28/65/99/173286599.db2.gz KMOMZPDMZVKRKY-MRVPVSSYSA-N 2 2 228.296 -0.874 20 0 BBADLP CNC(=O)NC(=O)CC[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000070894793 173286598 /nfs/dbraw/zinc/28/65/98/173286598.db2.gz KMOMZPDMZVKRKY-MRVPVSSYSA-N 2 2 228.296 -0.874 20 0 BBADLP CNC(=O)NC(=O)CC[N@@H+](C)[C@H]1CC[NH2+]C1 ZINC000070894803 173286416 /nfs/dbraw/zinc/28/64/16/173286416.db2.gz KMOMZPDMZVKRKY-QMMMGPOBSA-N 2 2 228.296 -0.874 20 0 BBADLP CNC(=O)NC(=O)CC[N@H+](C)[C@H]1CC[NH2+]C1 ZINC000070894803 173286415 /nfs/dbraw/zinc/28/64/15/173286415.db2.gz KMOMZPDMZVKRKY-QMMMGPOBSA-N 2 2 228.296 -0.874 20 0 BBADLP CN(CC[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000070895585 643078560 /nfs/dbraw/zinc/07/85/60/643078560.db2.gz AYPUTYHYOFBJGD-LLVKDONJSA-N 2 2 213.325 -0.388 20 0 BBADLP CN(CC[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000070895588 643078312 /nfs/dbraw/zinc/07/83/12/643078312.db2.gz AYPUTYHYOFBJGD-NSHDSACASA-N 2 2 213.325 -0.388 20 0 BBADLP CC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000070937239 343339724 /nfs/dbraw/zinc/33/97/24/343339724.db2.gz RVLJPWSQJPDSBB-JTQLQIEISA-N 2 2 211.309 -0.098 20 0 BBADLP CC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000070937239 343339722 /nfs/dbraw/zinc/33/97/22/343339722.db2.gz RVLJPWSQJPDSBB-JTQLQIEISA-N 2 2 211.309 -0.098 20 0 BBADLP CC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000070937240 343339434 /nfs/dbraw/zinc/33/94/34/343339434.db2.gz RVLJPWSQJPDSBB-SNVBAGLBSA-N 2 2 211.309 -0.098 20 0 BBADLP CC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000070937240 343339432 /nfs/dbraw/zinc/33/94/32/343339432.db2.gz RVLJPWSQJPDSBB-SNVBAGLBSA-N 2 2 211.309 -0.098 20 0 BBADLP Cn1cc[nH+]c1CNC[C@H](O)C[NH+]1CCCC1 ZINC000071138808 384151270 /nfs/dbraw/zinc/15/12/70/384151270.db2.gz DWORDXYRLOOASC-NSHDSACASA-N 2 2 238.335 -0.034 20 0 BBADLP Cn1cc[nH+]c1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000071138809 384150532 /nfs/dbraw/zinc/15/05/32/384150532.db2.gz DWORDXYRLOOASC-LLVKDONJSA-N 2 2 238.335 -0.034 20 0 BBADLP Cn1nccc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000071138810 387076213 /nfs/dbraw/zinc/07/62/13/387076213.db2.gz YNRCYBMPORQTLS-LBPRGKRZSA-N 2 2 238.335 -0.034 20 0 BBADLP Cn1nccc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000071138811 387076176 /nfs/dbraw/zinc/07/61/76/387076176.db2.gz YNRCYBMPORQTLS-GFCCVEGCSA-N 2 2 238.335 -0.034 20 0 BBADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000071146284 173369685 /nfs/dbraw/zinc/36/96/85/173369685.db2.gz YUSUAJUEJZCHHV-NSHDSACASA-N 2 2 241.335 -0.614 20 0 BBADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000071146284 173369682 /nfs/dbraw/zinc/36/96/82/173369682.db2.gz YUSUAJUEJZCHHV-NSHDSACASA-N 2 2 241.335 -0.614 20 0 BBADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000071146286 173381048 /nfs/dbraw/zinc/38/10/48/173381048.db2.gz YUSUAJUEJZCHHV-LLVKDONJSA-N 2 2 241.335 -0.614 20 0 BBADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000071146286 173381045 /nfs/dbraw/zinc/38/10/45/173381045.db2.gz YUSUAJUEJZCHHV-LLVKDONJSA-N 2 2 241.335 -0.614 20 0 BBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071146962 170075735 /nfs/dbraw/zinc/07/57/35/170075735.db2.gz UDXRWZAWYWSPBB-SECBINFHSA-N 2 2 242.323 -0.627 20 0 BBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071146962 170075734 /nfs/dbraw/zinc/07/57/34/170075734.db2.gz UDXRWZAWYWSPBB-SECBINFHSA-N 2 2 242.323 -0.627 20 0 BBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000071146964 170076558 /nfs/dbraw/zinc/07/65/58/170076558.db2.gz UDXRWZAWYWSPBB-VIFPVBQESA-N 2 2 242.323 -0.627 20 0 BBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000071146964 170076556 /nfs/dbraw/zinc/07/65/56/170076556.db2.gz UDXRWZAWYWSPBB-VIFPVBQESA-N 2 2 242.323 -0.627 20 0 BBADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCCCOC)C1 ZINC000071147289 350089568 /nfs/dbraw/zinc/08/95/68/350089568.db2.gz PCYXGQFUSKQXPU-NSHDSACASA-N 2 2 243.351 -0.320 20 0 BBADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCCCOC)C1 ZINC000071147289 350089563 /nfs/dbraw/zinc/08/95/63/350089563.db2.gz PCYXGQFUSKQXPU-NSHDSACASA-N 2 2 243.351 -0.320 20 0 BBADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCCCOC)C1 ZINC000071147291 350089612 /nfs/dbraw/zinc/08/96/12/350089612.db2.gz PCYXGQFUSKQXPU-LLVKDONJSA-N 2 2 243.351 -0.320 20 0 BBADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCCCOC)C1 ZINC000071147291 350089609 /nfs/dbraw/zinc/08/96/09/350089609.db2.gz PCYXGQFUSKQXPU-LLVKDONJSA-N 2 2 243.351 -0.320 20 0 BBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071147636 173381861 /nfs/dbraw/zinc/38/18/61/173381861.db2.gz YNZVEGCKDBTRQQ-DTWKUNHWSA-N 2 2 242.323 -0.628 20 0 BBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071147636 173381859 /nfs/dbraw/zinc/38/18/59/173381859.db2.gz YNZVEGCKDBTRQQ-DTWKUNHWSA-N 2 2 242.323 -0.628 20 0 BBADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071147638 173382107 /nfs/dbraw/zinc/38/21/07/173382107.db2.gz YNZVEGCKDBTRQQ-RKDXNWHRSA-N 2 2 242.323 -0.628 20 0 BBADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071147638 173382104 /nfs/dbraw/zinc/38/21/04/173382104.db2.gz YNZVEGCKDBTRQQ-RKDXNWHRSA-N 2 2 242.323 -0.628 20 0 BBADLP Cc1noc(C[N@@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000071150667 411335791 /nfs/dbraw/zinc/33/57/91/411335791.db2.gz LUCKGNPSBDVXPJ-UHFFFAOYSA-N 2 2 239.323 -0.285 20 0 BBADLP Cc1noc(C[N@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000071150667 411335788 /nfs/dbraw/zinc/33/57/88/411335788.db2.gz LUCKGNPSBDVXPJ-UHFFFAOYSA-N 2 2 239.323 -0.285 20 0 BBADLP CCOC(=O)[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150926 343623726 /nfs/dbraw/zinc/62/37/26/343623726.db2.gz FCBIMLGCYDRWBU-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP CCOC(=O)[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150926 343623723 /nfs/dbraw/zinc/62/37/23/343623723.db2.gz FCBIMLGCYDRWBU-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP CCOC(=O)[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150928 343623423 /nfs/dbraw/zinc/62/34/23/343623423.db2.gz FCBIMLGCYDRWBU-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP CCOC(=O)[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150928 343623420 /nfs/dbraw/zinc/62/34/20/343623420.db2.gz FCBIMLGCYDRWBU-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP COC[C@@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000071269540 359075610 /nfs/dbraw/zinc/07/56/10/359075610.db2.gz UTVVTRRDJYMVFY-JTQLQIEISA-N 2 2 242.323 -0.417 20 0 BBADLP COC[C@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000071269542 359075781 /nfs/dbraw/zinc/07/57/81/359075781.db2.gz UTVVTRRDJYMVFY-SNVBAGLBSA-N 2 2 242.323 -0.417 20 0 BBADLP C[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000074693884 359125003 /nfs/dbraw/zinc/12/50/03/359125003.db2.gz XZSPPYMUEWWUBF-UHFFFAOYSA-N 2 2 241.335 -0.517 20 0 BBADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CSC[NH2+]1 ZINC000074884069 176266845 /nfs/dbraw/zinc/26/68/45/176266845.db2.gz PJHYGTNBRBEVFJ-BDAKNGLRSA-N 2 2 229.349 -0.189 20 0 BBADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CSC[NH2+]1 ZINC000074884069 176266844 /nfs/dbraw/zinc/26/68/44/176266844.db2.gz PJHYGTNBRBEVFJ-BDAKNGLRSA-N 2 2 229.349 -0.189 20 0 BBADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CSC[NH2+]1 ZINC000074884070 177232368 /nfs/dbraw/zinc/23/23/68/177232368.db2.gz PJHYGTNBRBEVFJ-IUCAKERBSA-N 2 2 229.349 -0.189 20 0 BBADLP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CSC[NH2+]1 ZINC000074884070 177232366 /nfs/dbraw/zinc/23/23/66/177232366.db2.gz PJHYGTNBRBEVFJ-IUCAKERBSA-N 2 2 229.349 -0.189 20 0 BBADLP CN(CC[NH+]1CCOCC1)C(=O)CC[NH3+] ZINC000077307423 344064585 /nfs/dbraw/zinc/06/45/85/344064585.db2.gz LSBWMIFUKODGRZ-UHFFFAOYSA-N 2 2 215.297 -0.874 20 0 BBADLP C[C@H]([NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000077307428 384068182 /nfs/dbraw/zinc/06/81/82/384068182.db2.gz ZOLVPOOQOZARLL-VIFPVBQESA-N 2 2 215.297 -0.876 20 0 BBADLP C[C@@H]([NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000077307429 384068390 /nfs/dbraw/zinc/06/83/90/384068390.db2.gz ZOLVPOOQOZARLL-SECBINFHSA-N 2 2 215.297 -0.876 20 0 BBADLP CN(CC[NH+]1CCOCC1)C(=O)CCC[NH3+] ZINC000077343899 491125908 /nfs/dbraw/zinc/12/59/08/491125908.db2.gz HXDARTISVIWCLD-UHFFFAOYSA-N 2 2 229.324 -0.484 20 0 BBADLP C[NH2+][C@@H](C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000077343902 325375697 /nfs/dbraw/zinc/37/56/97/325375697.db2.gz DCXBDVYDPVYMQX-JTQLQIEISA-N 2 2 229.324 -0.615 20 0 BBADLP C[NH2+]CCC(=O)N(C)CC[NH+]1CCOCC1 ZINC000077343906 173338334 /nfs/dbraw/zinc/33/83/34/173338334.db2.gz JXIFYLDQMZJSRQ-UHFFFAOYSA-N 2 2 229.324 -0.614 20 0 BBADLP C[C@@H](C[NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000077343909 368259926 /nfs/dbraw/zinc/25/99/26/368259926.db2.gz LAYBEZNSVTWSEL-JTQLQIEISA-N 2 2 229.324 -0.628 20 0 BBADLP C[C@H](C[NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000077343912 368259798 /nfs/dbraw/zinc/25/97/98/368259798.db2.gz LAYBEZNSVTWSEL-SNVBAGLBSA-N 2 2 229.324 -0.628 20 0 BBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000077388380 386161084 /nfs/dbraw/zinc/16/10/84/386161084.db2.gz BUIJLOWSYOSHBO-NSHDSACASA-N 2 2 241.335 -0.471 20 0 BBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCC[NH2+]1 ZINC000077388385 386160613 /nfs/dbraw/zinc/16/06/13/386160613.db2.gz BUIJLOWSYOSHBO-LLVKDONJSA-N 2 2 241.335 -0.471 20 0 BBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000078041925 536368756 /nfs/dbraw/zinc/36/87/56/536368756.db2.gz FDUUIDLGLRNXJS-LLVKDONJSA-N 2 2 241.335 -0.783 20 0 BBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000078041925 536368754 /nfs/dbraw/zinc/36/87/54/536368754.db2.gz FDUUIDLGLRNXJS-LLVKDONJSA-N 2 2 241.335 -0.783 20 0 BBADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000078041926 135091255 /nfs/dbraw/zinc/09/12/55/135091255.db2.gz FDUUIDLGLRNXJS-NSHDSACASA-N 2 2 241.335 -0.783 20 0 BBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000078041926 135091253 /nfs/dbraw/zinc/09/12/53/135091253.db2.gz FDUUIDLGLRNXJS-NSHDSACASA-N 2 2 241.335 -0.783 20 0 BBADLP C[C@@]1(C(=O)NCC[NH+]2CCOCC2)CCC[NH2+]1 ZINC000079510919 351066676 /nfs/dbraw/zinc/06/66/76/351066676.db2.gz RCWQFDWVHWWAPX-LBPRGKRZSA-N 2 2 241.335 -0.423 20 0 BBADLP C[C@@]1(C(=O)N2CC[NH+](CCO)CC2)CCC[NH2+]1 ZINC000079511692 351068070 /nfs/dbraw/zinc/06/80/70/351068070.db2.gz JUAVXKKKAMNFNC-LBPRGKRZSA-N 2 2 241.335 -0.735 20 0 BBADLP CC[C@@H](COC)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000079742096 491129464 /nfs/dbraw/zinc/12/94/64/491129464.db2.gz IBTQPTPUTKJYSV-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP CC[C@H](COC)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000079742100 491129418 /nfs/dbraw/zinc/12/94/18/491129418.db2.gz IBTQPTPUTKJYSV-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP O=c1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)occ1O ZINC000080121132 344375429 /nfs/dbraw/zinc/37/54/29/344375429.db2.gz GVJGGWUNJPAEJG-DTORHVGOSA-N 2 2 236.271 -0.003 20 0 BBADLP O=c1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)occ1O ZINC000080121132 344375427 /nfs/dbraw/zinc/37/54/27/344375427.db2.gz GVJGGWUNJPAEJG-DTORHVGOSA-N 2 2 236.271 -0.003 20 0 BBADLP O=c1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)occ1O ZINC000080121141 344375504 /nfs/dbraw/zinc/37/55/04/344375504.db2.gz GVJGGWUNJPAEJG-RKDXNWHRSA-N 2 2 236.271 -0.003 20 0 BBADLP O=c1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)occ1O ZINC000080121147 344375451 /nfs/dbraw/zinc/37/54/51/344375451.db2.gz GVJGGWUNJPAEJG-IUCAKERBSA-N 2 2 236.271 -0.003 20 0 BBADLP COC(=O)[C@](C)(O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000080209981 398229249 /nfs/dbraw/zinc/22/92/49/398229249.db2.gz PQGYLGZYGKIPBM-GFCCVEGCSA-N 2 2 244.335 -0.064 20 0 BBADLP COC(=O)[C@@](C)(O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000080209985 398229613 /nfs/dbraw/zinc/22/96/13/398229613.db2.gz PQGYLGZYGKIPBM-LBPRGKRZSA-N 2 2 244.335 -0.064 20 0 BBADLP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000080744992 488090143 /nfs/dbraw/zinc/09/01/43/488090143.db2.gz HYPFJBKLKNUUPB-MXWKQRLJSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000080744992 488090138 /nfs/dbraw/zinc/09/01/38/488090138.db2.gz HYPFJBKLKNUUPB-MXWKQRLJSA-N 2 2 241.335 -0.439 20 0 BBADLP NC(=O)C[N@@H+](C[C@@H]1C[NH2+]CCO1)C1CCCC1 ZINC000080744998 488090409 /nfs/dbraw/zinc/09/04/09/488090409.db2.gz VVBJUNZYCTWWFJ-NSHDSACASA-N 2 2 241.335 -0.295 20 0 BBADLP NC(=O)C[N@H+](C[C@@H]1C[NH2+]CCO1)C1CCCC1 ZINC000080744998 488090406 /nfs/dbraw/zinc/09/04/06/488090406.db2.gz VVBJUNZYCTWWFJ-NSHDSACASA-N 2 2 241.335 -0.295 20 0 BBADLP NC(=O)C[N@@H+](C[C@H]1C[NH2+]CCO1)C1CCCC1 ZINC000080744999 488090006 /nfs/dbraw/zinc/09/00/06/488090006.db2.gz VVBJUNZYCTWWFJ-LLVKDONJSA-N 2 2 241.335 -0.295 20 0 BBADLP NC(=O)C[N@H+](C[C@H]1C[NH2+]CCO1)C1CCCC1 ZINC000080744999 488089999 /nfs/dbraw/zinc/08/99/99/488089999.db2.gz VVBJUNZYCTWWFJ-LLVKDONJSA-N 2 2 241.335 -0.295 20 0 BBADLP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000080749256 487581279 /nfs/dbraw/zinc/58/12/79/487581279.db2.gz HYPFJBKLKNUUPB-VWYCJHECSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000080749256 487581275 /nfs/dbraw/zinc/58/12/75/487581275.db2.gz HYPFJBKLKNUUPB-VWYCJHECSA-N 2 2 241.335 -0.439 20 0 BBADLP CNC(=O)[C@@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000080759904 488109019 /nfs/dbraw/zinc/10/90/19/488109019.db2.gz ILMOTAKQBULCJO-QWRGUYRKSA-N 2 2 241.335 -0.425 20 0 BBADLP CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000080759904 488109015 /nfs/dbraw/zinc/10/90/15/488109015.db2.gz ILMOTAKQBULCJO-QWRGUYRKSA-N 2 2 241.335 -0.425 20 0 BBADLP CNC(=O)[C@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000080759912 488108948 /nfs/dbraw/zinc/10/89/48/488108948.db2.gz ILMOTAKQBULCJO-WDEREUQCSA-N 2 2 241.335 -0.425 20 0 BBADLP CNC(=O)[C@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000080759912 488108943 /nfs/dbraw/zinc/10/89/43/488108943.db2.gz ILMOTAKQBULCJO-WDEREUQCSA-N 2 2 241.335 -0.425 20 0 BBADLP COC[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000081066125 487579384 /nfs/dbraw/zinc/57/93/84/487579384.db2.gz LTMXBXMCTPYZNC-MNOVXSKESA-N 2 2 214.309 -0.057 20 0 BBADLP COC[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000081066125 487579377 /nfs/dbraw/zinc/57/93/77/487579377.db2.gz LTMXBXMCTPYZNC-MNOVXSKESA-N 2 2 214.309 -0.057 20 0 BBADLP COC[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000081066129 487579438 /nfs/dbraw/zinc/57/94/38/487579438.db2.gz LTMXBXMCTPYZNC-QWRGUYRKSA-N 2 2 214.309 -0.057 20 0 BBADLP COC[C@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000081066129 487579431 /nfs/dbraw/zinc/57/94/31/487579431.db2.gz LTMXBXMCTPYZNC-QWRGUYRKSA-N 2 2 214.309 -0.057 20 0 BBADLP COCC[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000081714070 491136219 /nfs/dbraw/zinc/13/62/19/491136219.db2.gz GTRZHCLDFAUETO-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP COCC[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000081714076 491136229 /nfs/dbraw/zinc/13/62/29/491136229.db2.gz GTRZHCLDFAUETO-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP C[C@@H](CS(C)(=O)=O)[NH2+]CCC[NH+](C)C ZINC000081898868 384211747 /nfs/dbraw/zinc/21/17/47/384211747.db2.gz DNKOCGKMBJIHPR-VIFPVBQESA-N 2 2 222.354 -0.039 20 0 BBADLP C[C@H](CS(C)(=O)=O)[NH2+]CCC[NH+](C)C ZINC000081898869 384212178 /nfs/dbraw/zinc/21/21/78/384212178.db2.gz DNKOCGKMBJIHPR-SECBINFHSA-N 2 2 222.354 -0.039 20 0 BBADLP C[C@@H](CS(C)(=O)=O)[NH2+]CCn1cc[nH+]c1 ZINC000081900834 384211835 /nfs/dbraw/zinc/21/18/35/384211835.db2.gz YUVPNRMXLHYWKA-VIFPVBQESA-N 2 2 231.321 -0.094 20 0 BBADLP C[C@H](CS(C)(=O)=O)[NH2+]CCn1cc[nH+]c1 ZINC000081900835 384210928 /nfs/dbraw/zinc/21/09/28/384210928.db2.gz YUVPNRMXLHYWKA-SECBINFHSA-N 2 2 231.321 -0.094 20 0 BBADLP C[N@H+]1CC[C@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000082303271 344729201 /nfs/dbraw/zinc/72/92/01/344729201.db2.gz TVOBUTKKGUZSLY-NSHDSACASA-N 2 2 241.335 -0.614 20 0 BBADLP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000082303271 344729200 /nfs/dbraw/zinc/72/92/00/344729200.db2.gz TVOBUTKKGUZSLY-NSHDSACASA-N 2 2 241.335 -0.614 20 0 BBADLP C[N@H+]1CC[C@@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000082303273 344729240 /nfs/dbraw/zinc/72/92/40/344729240.db2.gz TVOBUTKKGUZSLY-LLVKDONJSA-N 2 2 241.335 -0.614 20 0 BBADLP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000082303273 344729239 /nfs/dbraw/zinc/72/92/39/344729239.db2.gz TVOBUTKKGUZSLY-LLVKDONJSA-N 2 2 241.335 -0.614 20 0 BBADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000082303491 347345722 /nfs/dbraw/zinc/34/57/22/347345722.db2.gz IGMAXXRJCGKBQA-JTQLQIEISA-N 2 2 211.309 -0.145 20 0 BBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000082303491 347345720 /nfs/dbraw/zinc/34/57/20/347345720.db2.gz IGMAXXRJCGKBQA-JTQLQIEISA-N 2 2 211.309 -0.145 20 0 BBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000082303494 347346127 /nfs/dbraw/zinc/34/61/27/347346127.db2.gz IGMAXXRJCGKBQA-SNVBAGLBSA-N 2 2 211.309 -0.145 20 0 BBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000082303494 347346122 /nfs/dbraw/zinc/34/61/22/347346122.db2.gz IGMAXXRJCGKBQA-SNVBAGLBSA-N 2 2 211.309 -0.145 20 0 BBADLP C[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000082311924 384222197 /nfs/dbraw/zinc/22/21/97/384222197.db2.gz GPXYAZPDTQUFNS-UHFFFAOYSA-N 2 2 208.265 -0.343 20 0 BBADLP C[C@@H](C[NH3+])[N@@H+](C)CCN1CCOCC1 ZINC000082381986 384225885 /nfs/dbraw/zinc/22/58/85/384225885.db2.gz LSQZWRWTRBVMNA-JTQLQIEISA-N 2 2 201.314 -0.402 20 0 BBADLP C[C@@H](C[NH3+])[N@H+](C)CCN1CCOCC1 ZINC000082381986 384225882 /nfs/dbraw/zinc/22/58/82/384225882.db2.gz LSQZWRWTRBVMNA-JTQLQIEISA-N 2 2 201.314 -0.402 20 0 BBADLP C[C@@H](C[NH3+])N(C)CC[NH+]1CCOCC1 ZINC000082381986 384225873 /nfs/dbraw/zinc/22/58/73/384225873.db2.gz LSQZWRWTRBVMNA-JTQLQIEISA-N 2 2 201.314 -0.402 20 0 BBADLP C[C@H](C[NH3+])[N@@H+](C)CCN1CCOCC1 ZINC000082381987 384225360 /nfs/dbraw/zinc/22/53/60/384225360.db2.gz LSQZWRWTRBVMNA-SNVBAGLBSA-N 2 2 201.314 -0.402 20 0 BBADLP C[C@H](C[NH3+])[N@H+](C)CCN1CCOCC1 ZINC000082381987 384225358 /nfs/dbraw/zinc/22/53/58/384225358.db2.gz LSQZWRWTRBVMNA-SNVBAGLBSA-N 2 2 201.314 -0.402 20 0 BBADLP C[C@H](C[NH3+])N(C)CC[NH+]1CCOCC1 ZINC000082381987 384225352 /nfs/dbraw/zinc/22/53/52/384225352.db2.gz LSQZWRWTRBVMNA-SNVBAGLBSA-N 2 2 201.314 -0.402 20 0 BBADLP Cn1c[nH+]cc1C[NH2+]CC(=O)NC1CC1 ZINC000082394130 343440639 /nfs/dbraw/zinc/44/06/39/343440639.db2.gz JDEMYIHWQNVPFZ-UHFFFAOYSA-N 2 2 208.265 -0.212 20 0 BBADLP C[C@H]([NH2+]Cc1c[nH+]cn1C)C(=O)N(C)C ZINC000082394247 343440710 /nfs/dbraw/zinc/44/07/10/343440710.db2.gz FONREKVQNBOWJJ-QMMMGPOBSA-N 2 2 210.281 -0.014 20 0 BBADLP C[C@@H]([NH2+]Cc1c[nH+]cn1C)C(=O)N(C)C ZINC000082394249 384422059 /nfs/dbraw/zinc/42/20/59/384422059.db2.gz FONREKVQNBOWJJ-MRVPVSSYSA-N 2 2 210.281 -0.014 20 0 BBADLP CCCNC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCO1 ZINC000082431886 343441114 /nfs/dbraw/zinc/44/11/14/343441114.db2.gz CSAQVOKLOQLVPY-SECBINFHSA-N 2 2 214.313 -0.159 20 0 BBADLP CCCNC(=[NH2+])NC[C@@H]1C[N@H+](C)CCO1 ZINC000082431886 343441113 /nfs/dbraw/zinc/44/11/13/343441113.db2.gz CSAQVOKLOQLVPY-SECBINFHSA-N 2 2 214.313 -0.159 20 0 BBADLP CCCNC(=[NH2+])NC[C@H]1C[N@@H+](C)CCO1 ZINC000082431887 343441066 /nfs/dbraw/zinc/44/10/66/343441066.db2.gz CSAQVOKLOQLVPY-VIFPVBQESA-N 2 2 214.313 -0.159 20 0 BBADLP CCCNC(=[NH2+])NC[C@H]1C[N@H+](C)CCO1 ZINC000082431887 343441064 /nfs/dbraw/zinc/44/10/64/343441064.db2.gz CSAQVOKLOQLVPY-VIFPVBQESA-N 2 2 214.313 -0.159 20 0 BBADLP C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000082475500 384230766 /nfs/dbraw/zinc/23/07/66/384230766.db2.gz FYDYZTUNIFTLKI-NXEZZACHSA-N 2 2 211.309 -0.194 20 0 BBADLP C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000082475500 384230757 /nfs/dbraw/zinc/23/07/57/384230757.db2.gz FYDYZTUNIFTLKI-NXEZZACHSA-N 2 2 211.309 -0.194 20 0 BBADLP C[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000082475501 384231250 /nfs/dbraw/zinc/23/12/50/384231250.db2.gz FYDYZTUNIFTLKI-VHSXEESVSA-N 2 2 211.309 -0.194 20 0 BBADLP C[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000082475501 384231245 /nfs/dbraw/zinc/23/12/45/384231245.db2.gz FYDYZTUNIFTLKI-VHSXEESVSA-N 2 2 211.309 -0.194 20 0 BBADLP CC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000082476703 487639153 /nfs/dbraw/zinc/63/91/53/487639153.db2.gz UFZWDIGGRDMNPU-NXEZZACHSA-N 2 2 211.309 -0.194 20 0 BBADLP CC[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000082476703 487639149 /nfs/dbraw/zinc/63/91/49/487639149.db2.gz UFZWDIGGRDMNPU-NXEZZACHSA-N 2 2 211.309 -0.194 20 0 BBADLP CC[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000082476704 487638972 /nfs/dbraw/zinc/63/89/72/487638972.db2.gz UFZWDIGGRDMNPU-ZJUUUORDSA-N 2 2 211.309 -0.194 20 0 BBADLP CC[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000082476704 487638965 /nfs/dbraw/zinc/63/89/65/487638965.db2.gz UFZWDIGGRDMNPU-ZJUUUORDSA-N 2 2 211.309 -0.194 20 0 BBADLP [NH3+]CC[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000082491398 136276726 /nfs/dbraw/zinc/27/67/26/136276726.db2.gz MCCREUQUSFBEOE-UHFFFAOYSA-N 2 2 211.309 -0.064 20 0 BBADLP C[C@H]([NH3+])CN(C)CC[NH+]1CCOCC1 ZINC000082594731 643351696 /nfs/dbraw/zinc/35/16/96/643351696.db2.gz GFLVCIRNIDJFBC-JTQLQIEISA-N 2 2 201.314 -0.402 20 0 BBADLP C[C@@H]([NH3+])CN(C)CC[NH+]1CCOCC1 ZINC000082594734 643351374 /nfs/dbraw/zinc/35/13/74/643351374.db2.gz GFLVCIRNIDJFBC-SNVBAGLBSA-N 2 2 201.314 -0.402 20 0 BBADLP CN(C)C(=O)N1CC[NH+](CCC[NH3+])CC1 ZINC000082642690 172377981 /nfs/dbraw/zinc/37/79/81/172377981.db2.gz XDMHRSDWBVAGAM-UHFFFAOYSA-N 2 2 214.313 -0.366 20 0 BBADLP Cn1cc[nH+]c1CN1CCO[C@H](C[NH3+])C1 ZINC000082645320 384252638 /nfs/dbraw/zinc/25/26/38/384252638.db2.gz ZXAVXFWNTNVEFW-SECBINFHSA-N 2 2 210.281 -0.420 20 0 BBADLP Cn1cc[nH+]c1CN1CCO[C@@H](C[NH3+])C1 ZINC000082645322 384254156 /nfs/dbraw/zinc/25/41/56/384254156.db2.gz ZXAVXFWNTNVEFW-VIFPVBQESA-N 2 2 210.281 -0.420 20 0 BBADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000082645598 362074213 /nfs/dbraw/zinc/07/42/13/362074213.db2.gz OXPDZIHWUHHPQA-JGVFFNPUSA-N 2 2 228.296 -0.760 20 0 BBADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC000082645598 362074211 /nfs/dbraw/zinc/07/42/11/362074211.db2.gz OXPDZIHWUHHPQA-JGVFFNPUSA-N 2 2 228.296 -0.760 20 0 BBADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000082645599 362074190 /nfs/dbraw/zinc/07/41/90/362074190.db2.gz OXPDZIHWUHHPQA-HTQZYQBOSA-N 2 2 228.296 -0.760 20 0 BBADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC000082645599 362074188 /nfs/dbraw/zinc/07/41/88/362074188.db2.gz OXPDZIHWUHHPQA-HTQZYQBOSA-N 2 2 228.296 -0.760 20 0 BBADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000082645600 362074432 /nfs/dbraw/zinc/07/44/32/362074432.db2.gz OXPDZIHWUHHPQA-YUMQZZPRSA-N 2 2 228.296 -0.760 20 0 BBADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC000082645600 362074429 /nfs/dbraw/zinc/07/44/29/362074429.db2.gz OXPDZIHWUHHPQA-YUMQZZPRSA-N 2 2 228.296 -0.760 20 0 BBADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000082645601 362074459 /nfs/dbraw/zinc/07/44/59/362074459.db2.gz OXPDZIHWUHHPQA-SFYZADRCSA-N 2 2 228.296 -0.760 20 0 BBADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC000082645601 362074455 /nfs/dbraw/zinc/07/44/55/362074455.db2.gz OXPDZIHWUHHPQA-SFYZADRCSA-N 2 2 228.296 -0.760 20 0 BBADLP [NH3+]CC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000082654572 181391508 /nfs/dbraw/zinc/39/15/08/181391508.db2.gz DGOQQNRAZVRQRQ-NSHDSACASA-N 3 2 240.351 -0.911 20 0 BBADLP [NH3+]CC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000082654572 181391506 /nfs/dbraw/zinc/39/15/06/181391506.db2.gz DGOQQNRAZVRQRQ-NSHDSACASA-N 3 2 240.351 -0.911 20 0 BBADLP [NH3+]CC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000082654573 181391279 /nfs/dbraw/zinc/39/12/79/181391279.db2.gz DGOQQNRAZVRQRQ-LLVKDONJSA-N 3 2 240.351 -0.911 20 0 BBADLP [NH3+]CC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000082654573 181391277 /nfs/dbraw/zinc/39/12/77/181391277.db2.gz DGOQQNRAZVRQRQ-LLVKDONJSA-N 3 2 240.351 -0.911 20 0 BBADLP [NH3+][C@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000082654604 487708102 /nfs/dbraw/zinc/70/81/02/487708102.db2.gz XDIUPLFURXRKNU-NSHDSACASA-N 3 2 240.351 -0.769 20 0 BBADLP [NH3+][C@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000082654604 487708096 /nfs/dbraw/zinc/70/80/96/487708096.db2.gz XDIUPLFURXRKNU-NSHDSACASA-N 3 2 240.351 -0.769 20 0 BBADLP [NH3+][C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000082654605 384773209 /nfs/dbraw/zinc/77/32/09/384773209.db2.gz XDIUPLFURXRKNU-LLVKDONJSA-N 3 2 240.351 -0.769 20 0 BBADLP [NH3+][C@@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000082654605 384773201 /nfs/dbraw/zinc/77/32/01/384773201.db2.gz XDIUPLFURXRKNU-LLVKDONJSA-N 3 2 240.351 -0.769 20 0 BBADLP Cc1nc(N2CC[NH+](C)CC2)nc(N)[nH+]1 ZINC000082664168 487715426 /nfs/dbraw/zinc/71/54/26/487715426.db2.gz KSNXZLQZGRKMPR-UHFFFAOYSA-N 2 2 208.269 -0.486 20 0 BBADLP COC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000082668949 384256228 /nfs/dbraw/zinc/25/62/28/384256228.db2.gz RAXLSNPHJXHCHE-WDEREUQCSA-N 2 2 215.341 -0.143 20 0 BBADLP COC[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000082668949 384256221 /nfs/dbraw/zinc/25/62/21/384256221.db2.gz RAXLSNPHJXHCHE-WDEREUQCSA-N 2 2 215.341 -0.143 20 0 BBADLP COC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000082668950 384256460 /nfs/dbraw/zinc/25/64/60/384256460.db2.gz RAXLSNPHJXHCHE-GHMZBOCLSA-N 2 2 215.341 -0.143 20 0 BBADLP COC[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000082668950 384256456 /nfs/dbraw/zinc/25/64/56/384256456.db2.gz RAXLSNPHJXHCHE-GHMZBOCLSA-N 2 2 215.341 -0.143 20 0 BBADLP COC[C@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000082668951 384256979 /nfs/dbraw/zinc/25/69/79/384256979.db2.gz RAXLSNPHJXHCHE-QWRGUYRKSA-N 2 2 215.341 -0.143 20 0 BBADLP COC[C@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000082668951 384256977 /nfs/dbraw/zinc/25/69/77/384256977.db2.gz RAXLSNPHJXHCHE-QWRGUYRKSA-N 2 2 215.341 -0.143 20 0 BBADLP COC[C@@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000082668952 384255181 /nfs/dbraw/zinc/25/51/81/384255181.db2.gz RAXLSNPHJXHCHE-MNOVXSKESA-N 2 2 215.341 -0.143 20 0 BBADLP COC[C@@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000082668952 384255180 /nfs/dbraw/zinc/25/51/80/384255180.db2.gz RAXLSNPHJXHCHE-MNOVXSKESA-N 2 2 215.341 -0.143 20 0 BBADLP CC[C@H](O)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000082669088 362097889 /nfs/dbraw/zinc/09/78/89/362097889.db2.gz PNIHAGLHJNOPLI-MNOVXSKESA-N 2 2 215.341 -0.407 20 0 BBADLP CC[C@H](O)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000082669088 362097885 /nfs/dbraw/zinc/09/78/85/362097885.db2.gz PNIHAGLHJNOPLI-MNOVXSKESA-N 2 2 215.341 -0.407 20 0 BBADLP CC[C@@H](O)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000082669089 487716764 /nfs/dbraw/zinc/71/67/64/487716764.db2.gz PNIHAGLHJNOPLI-GHMZBOCLSA-N 2 2 215.341 -0.407 20 0 BBADLP CC[C@@H](O)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000082669089 487716759 /nfs/dbraw/zinc/71/67/59/487716759.db2.gz PNIHAGLHJNOPLI-GHMZBOCLSA-N 2 2 215.341 -0.407 20 0 BBADLP CC[C@H](O)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000082669090 362097773 /nfs/dbraw/zinc/09/77/73/362097773.db2.gz PNIHAGLHJNOPLI-QWRGUYRKSA-N 2 2 215.341 -0.407 20 0 BBADLP CC[C@H](O)C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000082669090 362097769 /nfs/dbraw/zinc/09/77/69/362097769.db2.gz PNIHAGLHJNOPLI-QWRGUYRKSA-N 2 2 215.341 -0.407 20 0 BBADLP CC[C@@H](O)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000082669091 487716072 /nfs/dbraw/zinc/71/60/72/487716072.db2.gz PNIHAGLHJNOPLI-WDEREUQCSA-N 2 2 215.341 -0.407 20 0 BBADLP CC[C@@H](O)C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000082669091 487716069 /nfs/dbraw/zinc/71/60/69/487716069.db2.gz PNIHAGLHJNOPLI-WDEREUQCSA-N 2 2 215.341 -0.407 20 0 BBADLP CC(C)([NH3+])CC(=O)NCC[NH+]1CCOCC1 ZINC000082771596 487728113 /nfs/dbraw/zinc/72/81/13/487728113.db2.gz XQPCQXKQTRGTAQ-UHFFFAOYSA-N 2 2 229.324 -0.438 20 0 BBADLP C[C@@H]1CN(CC[NH+]2CCOCC2)CC[NH2+]1 ZINC000082925067 176291275 /nfs/dbraw/zinc/29/12/75/176291275.db2.gz CHKCMSIROFBBCE-LLVKDONJSA-N 2 2 213.325 -0.388 20 0 BBADLP C[C@H]1CN(CC[NH+]2CCOCC2)CC[NH2+]1 ZINC000082925068 177251602 /nfs/dbraw/zinc/25/16/02/177251602.db2.gz CHKCMSIROFBBCE-NSHDSACASA-N 2 2 213.325 -0.388 20 0 BBADLP [NH3+]C1(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000083345444 181326338 /nfs/dbraw/zinc/32/63/38/181326338.db2.gz QERMZAWPUJMNRU-UHFFFAOYSA-N 2 2 208.265 -0.119 20 0 BBADLP O=C1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCCN1 ZINC000083747794 643542546 /nfs/dbraw/zinc/54/25/46/643542546.db2.gz ADHKPPAPQGHIPD-JTQLQIEISA-N 2 2 211.309 -0.192 20 0 BBADLP O=C1C[N@H+](C[C@H]2CCC[NH2+]C2)CCCN1 ZINC000083747794 643542542 /nfs/dbraw/zinc/54/25/42/643542542.db2.gz ADHKPPAPQGHIPD-JTQLQIEISA-N 2 2 211.309 -0.192 20 0 BBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C1([NH3+])CC1 ZINC000083834480 384336196 /nfs/dbraw/zinc/33/61/96/384336196.db2.gz VCKWDRRMUUIZQV-QMMMGPOBSA-N 2 2 208.265 -0.121 20 0 BBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C1([NH3+])CC1 ZINC000083834482 384335694 /nfs/dbraw/zinc/33/56/94/384335694.db2.gz VCKWDRRMUUIZQV-MRVPVSSYSA-N 2 2 208.265 -0.121 20 0 BBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C1([NH3+])CC1 ZINC000083834529 388064095 /nfs/dbraw/zinc/06/40/95/388064095.db2.gz QWAPBZDKMIZHPN-VIFPVBQESA-N 2 2 227.308 -0.685 20 0 BBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C1([NH3+])CC1 ZINC000083834531 388063651 /nfs/dbraw/zinc/06/36/51/388063651.db2.gz QWAPBZDKMIZHPN-SECBINFHSA-N 2 2 227.308 -0.685 20 0 BBADLP [NH3+]C1(C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000083835031 384336251 /nfs/dbraw/zinc/33/62/51/384336251.db2.gz SDGCLTRHOOBZMV-UHFFFAOYSA-N 2 2 209.293 -0.216 20 0 BBADLP CC[NH+]1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000083872136 384808353 /nfs/dbraw/zinc/80/83/53/384808353.db2.gz XBOFCHBTRGGKHA-JTQLQIEISA-N 2 2 227.308 -0.861 20 0 BBADLP CC[NH+]1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000083872138 388064178 /nfs/dbraw/zinc/06/41/78/388064178.db2.gz XBOFCHBTRGGKHA-SNVBAGLBSA-N 2 2 227.308 -0.861 20 0 BBADLP C[N@@H+]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000083872206 384809391 /nfs/dbraw/zinc/80/93/91/384809391.db2.gz HUSDGGPJRSXVNW-JTQLQIEISA-N 2 2 227.308 -0.861 20 0 BBADLP C[N@H+]1CCCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000083872208 351965287 /nfs/dbraw/zinc/96/52/87/351965287.db2.gz HUSDGGPJRSXVNW-SNVBAGLBSA-N 2 2 227.308 -0.861 20 0 BBADLP C[N@@H+]1CCCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000083872208 351965285 /nfs/dbraw/zinc/96/52/85/351965285.db2.gz HUSDGGPJRSXVNW-SNVBAGLBSA-N 2 2 227.308 -0.861 20 0 BBADLP [NH3+]CC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000083883834 343505649 /nfs/dbraw/zinc/50/56/49/343505649.db2.gz WCUJYWDGOPDOJH-UHFFFAOYSA-N 2 2 218.260 -0.048 20 0 BBADLP [NH3+]CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000083884190 343505837 /nfs/dbraw/zinc/50/58/37/343505837.db2.gz FJLBMRLEDMDFLX-SNVBAGLBSA-N 2 2 227.308 -0.732 20 0 BBADLP [NH3+]CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000083884191 343505740 /nfs/dbraw/zinc/50/57/40/343505740.db2.gz FJLBMRLEDMDFLX-JTQLQIEISA-N 2 2 227.308 -0.732 20 0 BBADLP [NH3+]CCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000083884193 181367073 /nfs/dbraw/zinc/36/70/73/181367073.db2.gz ISYMBEUXAGQBCH-LLVKDONJSA-N 2 2 241.335 -0.342 20 0 BBADLP [NH3+]CCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000083884195 351970831 /nfs/dbraw/zinc/97/08/31/351970831.db2.gz ISYMBEUXAGQBCH-NSHDSACASA-N 2 2 241.335 -0.342 20 0 BBADLP C[NH2+]CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000083884196 351970859 /nfs/dbraw/zinc/97/08/59/351970859.db2.gz LTQPDHZGKQNYGK-LLVKDONJSA-N 2 2 241.335 -0.471 20 0 BBADLP C[NH2+]CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000083884197 351970955 /nfs/dbraw/zinc/97/09/55/351970955.db2.gz LTQPDHZGKQNYGK-NSHDSACASA-N 2 2 241.335 -0.471 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)C(C)(C)[NH3+] ZINC000083885770 487957340 /nfs/dbraw/zinc/95/73/40/487957340.db2.gz NYZMSXFKFIPBFW-MRVPVSSYSA-N 2 2 215.297 -0.830 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C(C)(C)[NH3+] ZINC000083885770 487957335 /nfs/dbraw/zinc/95/73/35/487957335.db2.gz NYZMSXFKFIPBFW-MRVPVSSYSA-N 2 2 215.297 -0.830 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)[NH3+] ZINC000083885771 487957322 /nfs/dbraw/zinc/95/73/22/487957322.db2.gz NYZMSXFKFIPBFW-QMMMGPOBSA-N 2 2 215.297 -0.830 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)[NH3+] ZINC000083885771 487957315 /nfs/dbraw/zinc/95/73/15/487957315.db2.gz NYZMSXFKFIPBFW-QMMMGPOBSA-N 2 2 215.297 -0.830 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C1CC[NH2+]CC1 ZINC000083885774 487957578 /nfs/dbraw/zinc/95/75/78/487957578.db2.gz YRAATCOOAZYJEM-NSHDSACASA-N 2 2 241.335 -0.567 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C1CC[NH2+]CC1 ZINC000083885774 487957572 /nfs/dbraw/zinc/95/75/72/487957572.db2.gz YRAATCOOAZYJEM-NSHDSACASA-N 2 2 241.335 -0.567 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)C1CC[NH2+]CC1 ZINC000083885775 487957715 /nfs/dbraw/zinc/95/77/15/487957715.db2.gz YRAATCOOAZYJEM-LLVKDONJSA-N 2 2 241.335 -0.567 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C1CC[NH2+]CC1 ZINC000083885775 487957710 /nfs/dbraw/zinc/95/77/10/487957710.db2.gz YRAATCOOAZYJEM-LLVKDONJSA-N 2 2 241.335 -0.567 20 0 BBADLP CN(CC[NH+]1CCOCC1)C(=O)C(C)(C)[NH3+] ZINC000083907438 384774419 /nfs/dbraw/zinc/77/44/19/384774419.db2.gz WZWSUEPFKMCRSX-UHFFFAOYSA-N 2 2 229.324 -0.486 20 0 BBADLP [NH3+]CC(=O)NCc1cn2ccccc2[nH+]1 ZINC000083909157 398035555 /nfs/dbraw/zinc/03/55/55/398035555.db2.gz NYNPFXVLYSWKOO-UHFFFAOYSA-N 2 2 204.233 -0.091 20 0 BBADLP [NH3+]CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000083913164 488214982 /nfs/dbraw/zinc/21/49/82/488214982.db2.gz ISXYHDZDKALSLN-VIFPVBQESA-N 2 2 220.276 -0.265 20 0 BBADLP [NH3+]CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000083913166 487965438 /nfs/dbraw/zinc/96/54/38/487965438.db2.gz ISXYHDZDKALSLN-SECBINFHSA-N 2 2 220.276 -0.265 20 0 BBADLP C[NH2+]CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000083913190 173331865 /nfs/dbraw/zinc/33/18/65/173331865.db2.gz FDUKPGLZUYHUPW-SNVBAGLBSA-N 2 2 234.303 -0.004 20 0 BBADLP C[NH2+]CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000083913192 173332773 /nfs/dbraw/zinc/33/27/73/173332773.db2.gz FDUKPGLZUYHUPW-JTQLQIEISA-N 2 2 234.303 -0.004 20 0 BBADLP [NH3+]CC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000083916449 388066947 /nfs/dbraw/zinc/06/69/47/388066947.db2.gz HORRZTUHJSWJLI-NSHDSACASA-N 2 2 241.335 -0.342 20 0 BBADLP [NH3+]CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000083916451 388066473 /nfs/dbraw/zinc/06/64/73/388066473.db2.gz HORRZTUHJSWJLI-LLVKDONJSA-N 2 2 241.335 -0.342 20 0 BBADLP CN(C)c1[nH+]cccc1CNC(=O)C[NH3+] ZINC000083928447 384349004 /nfs/dbraw/zinc/34/90/04/384349004.db2.gz OZINZTVYRYNAFU-UHFFFAOYSA-N 2 2 208.265 -0.278 20 0 BBADLP COCC[NH+]1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000083960781 388068646 /nfs/dbraw/zinc/06/86/46/388068646.db2.gz SYDUTUQYVQGCAI-UHFFFAOYSA-N 2 2 229.324 -0.486 20 0 BBADLP O=C(NCc1c[nH+]c[nH]1)[C@@H]1CSC[NH2+]1 ZINC000084081112 490365660 /nfs/dbraw/zinc/36/56/60/490365660.db2.gz QMHXBXKZCVBLTH-ZETCQYMHSA-N 2 2 212.278 -0.312 20 0 BBADLP O=C(NCc1c[nH+]c[nH]1)[C@H]1CSC[NH2+]1 ZINC000084081113 490365746 /nfs/dbraw/zinc/36/57/46/490365746.db2.gz QMHXBXKZCVBLTH-SSDOTTSWSA-N 2 2 212.278 -0.312 20 0 BBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CC(C)(C)[NH3+] ZINC000084165745 488031560 /nfs/dbraw/zinc/03/15/60/488031560.db2.gz QZEJIQKEOFMKTM-JTQLQIEISA-N 2 2 243.351 -0.049 20 0 BBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CC(C)(C)[NH3+] ZINC000084165751 488031354 /nfs/dbraw/zinc/03/13/54/488031354.db2.gz QZEJIQKEOFMKTM-SNVBAGLBSA-N 2 2 243.351 -0.049 20 0 BBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)CC(C)(C)[NH3+])C1 ZINC000084187349 488035673 /nfs/dbraw/zinc/03/56/73/488035673.db2.gz LEOFBIKCWNMAFD-SNVBAGLBSA-N 2 2 242.367 -0.524 20 0 BBADLP CN1CC[N@H+](C)[C@H](CNC(=O)CC(C)(C)[NH3+])C1 ZINC000084187349 488035671 /nfs/dbraw/zinc/03/56/71/488035671.db2.gz LEOFBIKCWNMAFD-SNVBAGLBSA-N 2 2 242.367 -0.524 20 0 BBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)CC(C)(C)[NH3+])C1 ZINC000084187351 488035643 /nfs/dbraw/zinc/03/56/43/488035643.db2.gz LEOFBIKCWNMAFD-JTQLQIEISA-N 2 2 242.367 -0.524 20 0 BBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)CC(C)(C)[NH3+])C1 ZINC000084187351 488035641 /nfs/dbraw/zinc/03/56/41/488035641.db2.gz LEOFBIKCWNMAFD-JTQLQIEISA-N 2 2 242.367 -0.524 20 0 BBADLP [NH3+]CCn1cc(C[NH+]2CCSCC2)nn1 ZINC000084378872 488049105 /nfs/dbraw/zinc/04/91/05/488049105.db2.gz FWODNUQAQUJFCY-UHFFFAOYSA-N 2 2 227.337 -0.214 20 0 BBADLP C[C@H]1[C@@H]([NH3+])CCN1CC[NH+]1CCOCC1 ZINC000084394467 368853826 /nfs/dbraw/zinc/85/38/26/368853826.db2.gz VZUJOLWYDVBOHO-QWRGUYRKSA-N 2 2 213.325 -0.260 20 0 BBADLP CN(Cc1[nH+]ccn1C)C(=O)C1C[NH2+]C1 ZINC000084410239 384395447 /nfs/dbraw/zinc/39/54/47/384395447.db2.gz BOKHEFAIBPVLRJ-UHFFFAOYSA-N 2 2 208.265 -0.402 20 0 BBADLP O=C(C1C[NH2+]C1)N1CCn2cc[nH+]c2C1 ZINC000084411988 384395333 /nfs/dbraw/zinc/39/53/33/384395333.db2.gz GPMABGPVKHHIQQ-UHFFFAOYSA-N 2 2 206.249 -0.555 20 0 BBADLP CN(CC[NH+]1CCOCC1)CC(C)(C)[NH3+] ZINC000084482178 384400270 /nfs/dbraw/zinc/40/02/70/384400270.db2.gz PICJHFPIBWBVLN-UHFFFAOYSA-N 2 2 215.341 -0.012 20 0 BBADLP C[N@@H+](CCN1CCOCC1)CC(C)(C)[NH3+] ZINC000084482178 384400268 /nfs/dbraw/zinc/40/02/68/384400268.db2.gz PICJHFPIBWBVLN-UHFFFAOYSA-N 2 2 215.341 -0.012 20 0 BBADLP C[N@H+](CCN1CCOCC1)CC(C)(C)[NH3+] ZINC000084482178 384400262 /nfs/dbraw/zinc/40/02/62/384400262.db2.gz PICJHFPIBWBVLN-UHFFFAOYSA-N 2 2 215.341 -0.012 20 0 BBADLP Cn1c[nH+]cc1CN1CC[NH+](CCO)CC1 ZINC000085191895 384924745 /nfs/dbraw/zinc/92/47/45/384924745.db2.gz BHLNDALBXJNXSN-UHFFFAOYSA-N 2 2 224.308 -0.470 20 0 BBADLP CCn1c[nH+]cc1C[NH+](CCO)CCO ZINC000085192412 488136194 /nfs/dbraw/zinc/13/61/94/488136194.db2.gz QDDOGSPSFLSGBA-UHFFFAOYSA-N 2 2 213.281 -0.310 20 0 BBADLP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000085356923 488162962 /nfs/dbraw/zinc/16/29/62/488162962.db2.gz JJRPHZTWTFQEQI-WDEREUQCSA-N 2 2 241.335 -0.438 20 0 BBADLP C[NH+]1CCN(C(=O)c2csc(C[NH3+])n2)CC1 ZINC000085544496 173074166 /nfs/dbraw/zinc/07/41/66/173074166.db2.gz KLQFNZIANLWDOF-UHFFFAOYSA-N 2 2 240.332 -0.011 20 0 BBADLP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000085790614 357623842 /nfs/dbraw/zinc/62/38/42/357623842.db2.gz XJOVBBGOJVVKOK-ZJUUUORDSA-N 2 2 229.324 -0.584 20 0 BBADLP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000085790614 357623836 /nfs/dbraw/zinc/62/38/36/357623836.db2.gz XJOVBBGOJVVKOK-ZJUUUORDSA-N 2 2 229.324 -0.584 20 0 BBADLP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000085790618 357623960 /nfs/dbraw/zinc/62/39/60/357623960.db2.gz XJOVBBGOJVVKOK-UWVGGRQHSA-N 2 2 229.324 -0.584 20 0 BBADLP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000085790618 357623954 /nfs/dbraw/zinc/62/39/54/357623954.db2.gz XJOVBBGOJVVKOK-UWVGGRQHSA-N 2 2 229.324 -0.584 20 0 BBADLP CCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000085790696 357623689 /nfs/dbraw/zinc/62/36/89/357623689.db2.gz NXLFUTYKVZJMKP-ZJUUUORDSA-N 2 2 229.324 -0.439 20 0 BBADLP CCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000085790696 357623681 /nfs/dbraw/zinc/62/36/81/357623681.db2.gz NXLFUTYKVZJMKP-ZJUUUORDSA-N 2 2 229.324 -0.439 20 0 BBADLP CCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000085790698 357624115 /nfs/dbraw/zinc/62/41/15/357624115.db2.gz NXLFUTYKVZJMKP-NXEZZACHSA-N 2 2 229.324 -0.439 20 0 BBADLP CCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000085790698 357624113 /nfs/dbraw/zinc/62/41/13/357624113.db2.gz NXLFUTYKVZJMKP-NXEZZACHSA-N 2 2 229.324 -0.439 20 0 BBADLP CCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000085790700 357624079 /nfs/dbraw/zinc/62/40/79/357624079.db2.gz NXLFUTYKVZJMKP-UWVGGRQHSA-N 2 2 229.324 -0.439 20 0 BBADLP CCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000085790700 357624075 /nfs/dbraw/zinc/62/40/75/357624075.db2.gz NXLFUTYKVZJMKP-UWVGGRQHSA-N 2 2 229.324 -0.439 20 0 BBADLP CCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000085790701 357623928 /nfs/dbraw/zinc/62/39/28/357623928.db2.gz NXLFUTYKVZJMKP-VHSXEESVSA-N 2 2 229.324 -0.439 20 0 BBADLP CCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000085790701 357623922 /nfs/dbraw/zinc/62/39/22/357623922.db2.gz NXLFUTYKVZJMKP-VHSXEESVSA-N 2 2 229.324 -0.439 20 0 BBADLP O=C1NC[C@@H]2C[N@@H+](C[C@@H]3CC[NH2+]C3)CCN12 ZINC000085807782 488204891 /nfs/dbraw/zinc/20/48/91/488204891.db2.gz MKYQXJHMZZRUTI-NXEZZACHSA-N 2 2 224.308 -0.695 20 0 BBADLP O=C1NC[C@@H]2C[N@H+](C[C@@H]3CC[NH2+]C3)CCN12 ZINC000085807782 488204888 /nfs/dbraw/zinc/20/48/88/488204888.db2.gz MKYQXJHMZZRUTI-NXEZZACHSA-N 2 2 224.308 -0.695 20 0 BBADLP O=C1NC[C@@H]2C[N@@H+](C[C@H]3CC[NH2+]C3)CCN12 ZINC000085807787 488205006 /nfs/dbraw/zinc/20/50/06/488205006.db2.gz MKYQXJHMZZRUTI-VHSXEESVSA-N 2 2 224.308 -0.695 20 0 BBADLP O=C1NC[C@@H]2C[N@H+](C[C@H]3CC[NH2+]C3)CCN12 ZINC000085807787 488205004 /nfs/dbraw/zinc/20/50/04/488205004.db2.gz MKYQXJHMZZRUTI-VHSXEESVSA-N 2 2 224.308 -0.695 20 0 BBADLP C[NH2+]C[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000086064988 357808447 /nfs/dbraw/zinc/80/84/47/357808447.db2.gz NTVVNAYOJSPBRE-JTQLQIEISA-N 2 2 229.324 -0.710 20 0 BBADLP C[NH2+]C[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000086064991 357808652 /nfs/dbraw/zinc/80/86/52/357808652.db2.gz NTVVNAYOJSPBRE-SNVBAGLBSA-N 2 2 229.324 -0.710 20 0 BBADLP C[NH2+]C[C@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000086068006 343609106 /nfs/dbraw/zinc/60/91/06/343609106.db2.gz MYLKDKODKGHRII-VIFPVBQESA-N 2 2 210.281 -0.145 20 0 BBADLP C[NH2+]C[C@@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000086068009 343608841 /nfs/dbraw/zinc/60/88/41/343608841.db2.gz MYLKDKODKGHRII-SECBINFHSA-N 2 2 210.281 -0.145 20 0 BBADLP C[NH2+]C[C@H](C)C(=O)NCc1[nH+]ccn1C ZINC000086069044 343609397 /nfs/dbraw/zinc/60/93/97/343609397.db2.gz WQIFTCHJURWHCO-QMMMGPOBSA-N 2 2 210.281 -0.108 20 0 BBADLP C[NH2+]C[C@@H](C)C(=O)NCc1[nH+]ccn1C ZINC000086069046 343609320 /nfs/dbraw/zinc/60/93/20/343609320.db2.gz WQIFTCHJURWHCO-MRVPVSSYSA-N 2 2 210.281 -0.108 20 0 BBADLP COCC[NH2+]CC(=O)NCCn1cc[nH+]c1 ZINC000086158131 357861914 /nfs/dbraw/zinc/86/19/14/357861914.db2.gz YIYUXAYKTBYFDB-UHFFFAOYSA-N 2 2 226.280 -0.765 20 0 BBADLP CCOCCNC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000086206190 388101121 /nfs/dbraw/zinc/10/11/21/388101121.db2.gz PPVNNCGOFCJHOB-UHFFFAOYSA-N 2 2 229.324 -0.438 20 0 BBADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000086271590 491123759 /nfs/dbraw/zinc/12/37/59/491123759.db2.gz ZXYRIHJVRZAQJH-NXEZZACHSA-N 2 2 222.292 -0.003 20 0 BBADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000086271591 491123744 /nfs/dbraw/zinc/12/37/44/491123744.db2.gz ZXYRIHJVRZAQJH-VHSXEESVSA-N 2 2 222.292 -0.003 20 0 BBADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000086271592 491123757 /nfs/dbraw/zinc/12/37/57/491123757.db2.gz ZXYRIHJVRZAQJH-ZJUUUORDSA-N 2 2 222.292 -0.003 20 0 BBADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000086271593 491123770 /nfs/dbraw/zinc/12/37/70/491123770.db2.gz ZXYRIHJVRZAQJH-UWVGGRQHSA-N 2 2 222.292 -0.003 20 0 BBADLP O[C@@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@@H]1O ZINC000086331167 384640347 /nfs/dbraw/zinc/64/03/47/384640347.db2.gz JMTGDYJOGIJJDA-AOOOYVTPSA-N 2 2 211.265 -0.689 20 0 BBADLP O[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@@H]1O ZINC000086331167 384640341 /nfs/dbraw/zinc/64/03/41/384640341.db2.gz JMTGDYJOGIJJDA-AOOOYVTPSA-N 2 2 211.265 -0.689 20 0 BBADLP CC(C)N1CC[NH+](CCOCC[NH3+])CC1 ZINC000086435413 135084095 /nfs/dbraw/zinc/08/40/95/135084095.db2.gz FLVPORZQKAAGBU-UHFFFAOYSA-N 2 2 215.341 -0.012 20 0 BBADLP Cn1ccnc1C[N@@H+](C)CCOCC[NH3+] ZINC000086435718 358976787 /nfs/dbraw/zinc/97/67/87/358976787.db2.gz DEQOAMXMBXVMFK-UHFFFAOYSA-N 2 2 212.297 -0.173 20 0 BBADLP Cn1ccnc1C[N@H+](C)CCOCC[NH3+] ZINC000086435718 358976784 /nfs/dbraw/zinc/97/67/84/358976784.db2.gz DEQOAMXMBXVMFK-UHFFFAOYSA-N 2 2 212.297 -0.173 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638164 388105805 /nfs/dbraw/zinc/10/58/05/388105805.db2.gz TYEZPANGXLHPQQ-UHFFFAOYSA-N 2 2 230.312 -0.641 20 0 BBADLP CNC(=O)NC(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638164 388105803 /nfs/dbraw/zinc/10/58/03/388105803.db2.gz TYEZPANGXLHPQQ-UHFFFAOYSA-N 2 2 230.312 -0.641 20 0 BBADLP C[N@@H+](CC(=O)NC(N)=O)CC(C)(C)C[NH3+] ZINC000086638254 359321346 /nfs/dbraw/zinc/32/13/46/359321346.db2.gz CEABDVMKMBMAHB-UHFFFAOYSA-N 2 2 216.285 -0.902 20 0 BBADLP C[N@H+](CC(=O)NC(N)=O)CC(C)(C)C[NH3+] ZINC000086638254 359321341 /nfs/dbraw/zinc/32/13/41/359321341.db2.gz CEABDVMKMBMAHB-UHFFFAOYSA-N 2 2 216.285 -0.902 20 0 BBADLP CN(C)C(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638351 135092185 /nfs/dbraw/zinc/09/21/85/135092185.db2.gz TUAZRJUUIZXOFZ-UHFFFAOYSA-N 2 2 201.314 -0.009 20 0 BBADLP CN(C)C(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638351 135092183 /nfs/dbraw/zinc/09/21/83/135092183.db2.gz TUAZRJUUIZXOFZ-UHFFFAOYSA-N 2 2 201.314 -0.009 20 0 BBADLP COC(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000086723842 359370768 /nfs/dbraw/zinc/37/07/68/359370768.db2.gz FXYCOIMATDDUMK-UHFFFAOYSA-N 2 2 230.308 -0.011 20 0 BBADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000086886651 384710694 /nfs/dbraw/zinc/71/06/94/384710694.db2.gz JDXMNXMOJFVLIX-SCZZXKLOSA-N 2 2 211.309 -0.066 20 0 BBADLP C[C@@H]1C[N@H+](CC(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000086886651 384710690 /nfs/dbraw/zinc/71/06/90/384710690.db2.gz JDXMNXMOJFVLIX-SCZZXKLOSA-N 2 2 211.309 -0.066 20 0 BBADLP C[C@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000086886653 384710883 /nfs/dbraw/zinc/71/08/83/384710883.db2.gz JDXMNXMOJFVLIX-WPRPVWTQSA-N 2 2 211.309 -0.066 20 0 BBADLP C[C@H]1C[N@H+](CC(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000086886653 384710881 /nfs/dbraw/zinc/71/08/81/384710881.db2.gz JDXMNXMOJFVLIX-WPRPVWTQSA-N 2 2 211.309 -0.066 20 0 BBADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886719 135101036 /nfs/dbraw/zinc/10/10/36/135101036.db2.gz ICDCGDXVXZMAGE-CSMHCCOUSA-N 2 2 228.296 -0.761 20 0 BBADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886719 135101035 /nfs/dbraw/zinc/10/10/35/135101035.db2.gz ICDCGDXVXZMAGE-CSMHCCOUSA-N 2 2 228.296 -0.761 20 0 BBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886886 388110545 /nfs/dbraw/zinc/11/05/45/388110545.db2.gz UGHGKRVSWQQUGX-SFYZADRCSA-N 2 2 228.296 -0.889 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886886 388110544 /nfs/dbraw/zinc/11/05/44/388110544.db2.gz UGHGKRVSWQQUGX-SFYZADRCSA-N 2 2 228.296 -0.889 20 0 BBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000086886889 388109911 /nfs/dbraw/zinc/10/99/11/388109911.db2.gz UGHGKRVSWQQUGX-YUMQZZPRSA-N 2 2 228.296 -0.889 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000086886889 388109908 /nfs/dbraw/zinc/10/99/08/388109908.db2.gz UGHGKRVSWQQUGX-YUMQZZPRSA-N 2 2 228.296 -0.889 20 0 BBADLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000087045239 135105340 /nfs/dbraw/zinc/10/53/40/135105340.db2.gz KSULCTULSYDONN-ZJUUUORDSA-N 2 2 227.308 -0.733 20 0 BBADLP CC(C)[N@H+](C)CC(=O)N1CC[NH+](CCO)CC1 ZINC000087083610 363095352 /nfs/dbraw/zinc/09/53/52/363095352.db2.gz LGYGONGWVJTEIK-UHFFFAOYSA-N 2 2 243.351 -0.537 20 0 BBADLP C[C@H](O)[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000087130001 364752955 /nfs/dbraw/zinc/75/29/55/364752955.db2.gz LNMNLJYZVCDUEO-GARJFASQSA-N 2 2 215.341 -0.409 20 0 BBADLP C[C@H](O)[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000087130001 364752954 /nfs/dbraw/zinc/75/29/54/364752954.db2.gz LNMNLJYZVCDUEO-GARJFASQSA-N 2 2 215.341 -0.409 20 0 BBADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)[C@H](C)O ZINC000087130005 364752970 /nfs/dbraw/zinc/75/29/70/364752970.db2.gz LNMNLJYZVCDUEO-OUAUKWLOSA-N 2 2 215.341 -0.409 20 0 BBADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)[C@H](C)O ZINC000087130005 364752968 /nfs/dbraw/zinc/75/29/68/364752968.db2.gz LNMNLJYZVCDUEO-OUAUKWLOSA-N 2 2 215.341 -0.409 20 0 BBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCOC2)CC1 ZINC000087416028 491087457 /nfs/dbraw/zinc/08/74/57/491087457.db2.gz VTPLIZRSVWAHQS-SNVBAGLBSA-N 2 2 227.308 -0.861 20 0 BBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCOC2)CC1 ZINC000087416029 491087434 /nfs/dbraw/zinc/08/74/34/491087434.db2.gz VTPLIZRSVWAHQS-JTQLQIEISA-N 2 2 227.308 -0.861 20 0 BBADLP C[NH2+]CCCN(C)CC[NH+]1CCOCC1 ZINC000087472556 135143167 /nfs/dbraw/zinc/14/31/67/135143167.db2.gz DMEZJVIVSIAXJP-UHFFFAOYSA-N 2 2 215.341 -0.140 20 0 BBADLP C[NH2+]CCC[N@@H+](C)CC(=O)NCCCOC ZINC000087472731 135142500 /nfs/dbraw/zinc/14/25/00/135142500.db2.gz XULSKFMKWKGSHM-UHFFFAOYSA-N 2 2 231.340 -0.320 20 0 BBADLP C[NH2+]CCC[N@H+](C)CC(=O)NCCCOC ZINC000087472731 135142499 /nfs/dbraw/zinc/14/24/99/135142499.db2.gz XULSKFMKWKGSHM-UHFFFAOYSA-N 2 2 231.340 -0.320 20 0 BBADLP C[NH2+]CCC[N@@H+](C)CC(=O)N1CCOCC1 ZINC000087472771 135142128 /nfs/dbraw/zinc/14/21/28/135142128.db2.gz JMZJKRNUQYPNTI-UHFFFAOYSA-N 2 2 229.324 -0.614 20 0 BBADLP C[NH2+]CCC[N@H+](C)CC(=O)N1CCOCC1 ZINC000087472771 135142127 /nfs/dbraw/zinc/14/21/27/135142127.db2.gz JMZJKRNUQYPNTI-UHFFFAOYSA-N 2 2 229.324 -0.614 20 0 BBADLP Cn1cc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000087613346 368894721 /nfs/dbraw/zinc/89/47/21/368894721.db2.gz PQRCHLVEAYXGKE-NSHDSACASA-N 2 2 223.324 -0.505 20 0 BBADLP Cn1cc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000087613346 368894714 /nfs/dbraw/zinc/89/47/14/368894714.db2.gz PQRCHLVEAYXGKE-NSHDSACASA-N 2 2 223.324 -0.505 20 0 BBADLP Cn1nccc1CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613408 368895597 /nfs/dbraw/zinc/89/55/97/368895597.db2.gz IXVFRUDNMKNYMN-NSHDSACASA-N 2 2 223.324 -0.505 20 0 BBADLP Cn1nccc1CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613408 368895595 /nfs/dbraw/zinc/89/55/95/368895595.db2.gz IXVFRUDNMKNYMN-NSHDSACASA-N 2 2 223.324 -0.505 20 0 BBADLP C[N@H+]1CCN(C[C@@H]2CCCOC2)[C@H](C[NH3+])C1 ZINC000087613442 367917272 /nfs/dbraw/zinc/91/72/72/367917272.db2.gz GSFAKMIHUQJURI-NWDGAFQWSA-N 2 2 227.352 -0.012 20 0 BBADLP C[N@@H+]1CCN(C[C@@H]2CCCOC2)[C@H](C[NH3+])C1 ZINC000087613442 367917268 /nfs/dbraw/zinc/91/72/68/367917268.db2.gz GSFAKMIHUQJURI-NWDGAFQWSA-N 2 2 227.352 -0.012 20 0 BBADLP C[C@@H]1C[C@@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613512 487671579 /nfs/dbraw/zinc/67/15/79/487671579.db2.gz NPHIOTZTPMKSTJ-UTLUCORTSA-N 2 2 211.309 -0.256 20 0 BBADLP C[C@@H]1C[C@@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613512 487671577 /nfs/dbraw/zinc/67/15/77/487671577.db2.gz NPHIOTZTPMKSTJ-UTLUCORTSA-N 2 2 211.309 -0.256 20 0 BBADLP C[C@@H]1C[C@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613514 487671927 /nfs/dbraw/zinc/67/19/27/487671927.db2.gz NPHIOTZTPMKSTJ-KXUCPTDWSA-N 2 2 211.309 -0.256 20 0 BBADLP C[C@@H]1C[C@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613514 487671923 /nfs/dbraw/zinc/67/19/23/487671923.db2.gz NPHIOTZTPMKSTJ-KXUCPTDWSA-N 2 2 211.309 -0.256 20 0 BBADLP CSCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000087613516 367917416 /nfs/dbraw/zinc/91/74/16/367917416.db2.gz LFBNVZCRZJCNGA-SECBINFHSA-N 2 2 231.365 -0.159 20 0 BBADLP CSCCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000087613516 367917414 /nfs/dbraw/zinc/91/74/14/367917414.db2.gz LFBNVZCRZJCNGA-SECBINFHSA-N 2 2 231.365 -0.159 20 0 BBADLP CSCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613517 367917553 /nfs/dbraw/zinc/91/75/53/367917553.db2.gz LFBNVZCRZJCNGA-VIFPVBQESA-N 2 2 231.365 -0.159 20 0 BBADLP CSCCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613517 367917550 /nfs/dbraw/zinc/91/75/50/367917550.db2.gz LFBNVZCRZJCNGA-VIFPVBQESA-N 2 2 231.365 -0.159 20 0 BBADLP C[N@H+]1CCN(C(=O)[C@@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000087613572 367918289 /nfs/dbraw/zinc/91/82/89/367918289.db2.gz PPIBHLDSLPPXBR-NXEZZACHSA-N 2 2 227.308 -0.876 20 0 BBADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000087613572 367918284 /nfs/dbraw/zinc/91/82/84/367918284.db2.gz PPIBHLDSLPPXBR-NXEZZACHSA-N 2 2 227.308 -0.876 20 0 BBADLP C[N@H+]1CCN(C(=O)[C@@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000087613573 367918314 /nfs/dbraw/zinc/91/83/14/367918314.db2.gz PPIBHLDSLPPXBR-ZJUUUORDSA-N 2 2 227.308 -0.876 20 0 BBADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000087613573 367918307 /nfs/dbraw/zinc/91/83/07/367918307.db2.gz PPIBHLDSLPPXBR-ZJUUUORDSA-N 2 2 227.308 -0.876 20 0 BBADLP COCCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000087613574 367918630 /nfs/dbraw/zinc/91/86/30/367918630.db2.gz UUXVAKCMWZNCGQ-SNVBAGLBSA-N 2 2 229.324 -0.486 20 0 BBADLP COCCCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000087613574 367918625 /nfs/dbraw/zinc/91/86/25/367918625.db2.gz UUXVAKCMWZNCGQ-SNVBAGLBSA-N 2 2 229.324 -0.486 20 0 BBADLP COCCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613575 367919090 /nfs/dbraw/zinc/91/90/90/367919090.db2.gz UUXVAKCMWZNCGQ-JTQLQIEISA-N 2 2 229.324 -0.486 20 0 BBADLP COCCCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613575 367919086 /nfs/dbraw/zinc/91/90/86/367919086.db2.gz UUXVAKCMWZNCGQ-JTQLQIEISA-N 2 2 229.324 -0.486 20 0 BBADLP CCOCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613584 388709073 /nfs/dbraw/zinc/70/90/73/388709073.db2.gz GSTKLYWTVFZVIT-VIFPVBQESA-N 2 2 215.297 -0.876 20 0 BBADLP CCOCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613584 388709070 /nfs/dbraw/zinc/70/90/70/388709070.db2.gz GSTKLYWTVFZVIT-VIFPVBQESA-N 2 2 215.297 -0.876 20 0 BBADLP CCOCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000087613585 388710149 /nfs/dbraw/zinc/71/01/49/388710149.db2.gz GSTKLYWTVFZVIT-SECBINFHSA-N 2 2 215.297 -0.876 20 0 BBADLP CCOCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000087613585 388710146 /nfs/dbraw/zinc/71/01/46/388710146.db2.gz GSTKLYWTVFZVIT-SECBINFHSA-N 2 2 215.297 -0.876 20 0 BBADLP C[N@H+]1CCN(C(=O)CC2CC2)[C@H](C[NH3+])C1 ZINC000087613586 367918953 /nfs/dbraw/zinc/91/89/53/367918953.db2.gz IHPKVJGWJAHKMS-SNVBAGLBSA-N 2 2 211.309 -0.112 20 0 BBADLP C[N@@H+]1CCN(C(=O)CC2CC2)[C@H](C[NH3+])C1 ZINC000087613586 367918947 /nfs/dbraw/zinc/91/89/47/367918947.db2.gz IHPKVJGWJAHKMS-SNVBAGLBSA-N 2 2 211.309 -0.112 20 0 BBADLP C[N@H+]1CCN(C(=O)CC2CC2)[C@@H](C[NH3+])C1 ZINC000087613587 367918378 /nfs/dbraw/zinc/91/83/78/367918378.db2.gz IHPKVJGWJAHKMS-JTQLQIEISA-N 2 2 211.309 -0.112 20 0 BBADLP C[N@@H+]1CCN(C(=O)CC2CC2)[C@@H](C[NH3+])C1 ZINC000087613587 367918373 /nfs/dbraw/zinc/91/83/73/367918373.db2.gz IHPKVJGWJAHKMS-JTQLQIEISA-N 2 2 211.309 -0.112 20 0 BBADLP CCOCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613588 367918272 /nfs/dbraw/zinc/91/82/72/367918272.db2.gz SYOWELQJNBHSIE-JTQLQIEISA-N 2 2 229.324 -0.486 20 0 BBADLP CCOCCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613588 367918268 /nfs/dbraw/zinc/91/82/68/367918268.db2.gz SYOWELQJNBHSIE-JTQLQIEISA-N 2 2 229.324 -0.486 20 0 BBADLP CCOCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000087613589 367918694 /nfs/dbraw/zinc/91/86/94/367918694.db2.gz SYOWELQJNBHSIE-SNVBAGLBSA-N 2 2 229.324 -0.486 20 0 BBADLP CCOCCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000087613589 367918691 /nfs/dbraw/zinc/91/86/91/367918691.db2.gz SYOWELQJNBHSIE-SNVBAGLBSA-N 2 2 229.324 -0.486 20 0 BBADLP C[N@H+]1CCN(C(=O)C2CCC2)[C@H](C[NH3+])C1 ZINC000087613594 367919068 /nfs/dbraw/zinc/91/90/68/367919068.db2.gz RIOGIVFTYZTQGM-SNVBAGLBSA-N 2 2 211.309 -0.112 20 0 BBADLP C[N@@H+]1CCN(C(=O)C2CCC2)[C@H](C[NH3+])C1 ZINC000087613594 367919064 /nfs/dbraw/zinc/91/90/64/367919064.db2.gz RIOGIVFTYZTQGM-SNVBAGLBSA-N 2 2 211.309 -0.112 20 0 BBADLP C[N@H+]1CCN(C(=O)C2CCC2)[C@@H](C[NH3+])C1 ZINC000087613595 367918903 /nfs/dbraw/zinc/91/89/03/367918903.db2.gz RIOGIVFTYZTQGM-JTQLQIEISA-N 2 2 211.309 -0.112 20 0 BBADLP C[N@@H+]1CCN(C(=O)C2CCC2)[C@@H](C[NH3+])C1 ZINC000087613595 367918899 /nfs/dbraw/zinc/91/88/99/367918899.db2.gz RIOGIVFTYZTQGM-JTQLQIEISA-N 2 2 211.309 -0.112 20 0 BBADLP COCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000087613602 487671723 /nfs/dbraw/zinc/67/17/23/487671723.db2.gz FPFBFZHVQACVSM-SECBINFHSA-N 2 2 215.297 -0.876 20 0 BBADLP COCCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000087613602 487671720 /nfs/dbraw/zinc/67/17/20/487671720.db2.gz FPFBFZHVQACVSM-SECBINFHSA-N 2 2 215.297 -0.876 20 0 BBADLP COCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613603 487671661 /nfs/dbraw/zinc/67/16/61/487671661.db2.gz FPFBFZHVQACVSM-VIFPVBQESA-N 2 2 215.297 -0.876 20 0 BBADLP COCCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613603 487671659 /nfs/dbraw/zinc/67/16/59/487671659.db2.gz FPFBFZHVQACVSM-VIFPVBQESA-N 2 2 215.297 -0.876 20 0 BBADLP CC(C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613614 487671992 /nfs/dbraw/zinc/67/19/92/487671992.db2.gz IQTBKPJXLCQMKE-VIFPVBQESA-N 2 2 214.313 -0.321 20 0 BBADLP CC(C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613614 487671990 /nfs/dbraw/zinc/67/19/90/487671990.db2.gz IQTBKPJXLCQMKE-VIFPVBQESA-N 2 2 214.313 -0.321 20 0 BBADLP CC(C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000087613615 487671678 /nfs/dbraw/zinc/67/16/78/487671678.db2.gz IQTBKPJXLCQMKE-SECBINFHSA-N 2 2 214.313 -0.321 20 0 BBADLP CC(C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000087613615 487671675 /nfs/dbraw/zinc/67/16/75/487671675.db2.gz IQTBKPJXLCQMKE-SECBINFHSA-N 2 2 214.313 -0.321 20 0 BBADLP CCN(C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613620 367920173 /nfs/dbraw/zinc/92/01/73/367920173.db2.gz RPGDYUKVIAGLAG-VIFPVBQESA-N 2 2 214.313 -0.367 20 0 BBADLP CCN(C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613620 367920167 /nfs/dbraw/zinc/92/01/67/367920167.db2.gz RPGDYUKVIAGLAG-VIFPVBQESA-N 2 2 214.313 -0.367 20 0 BBADLP CCN(C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000087613621 367919819 /nfs/dbraw/zinc/91/98/19/367919819.db2.gz RPGDYUKVIAGLAG-SECBINFHSA-N 2 2 214.313 -0.367 20 0 BBADLP CCN(C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000087613621 367919815 /nfs/dbraw/zinc/91/98/15/367919815.db2.gz RPGDYUKVIAGLAG-SECBINFHSA-N 2 2 214.313 -0.367 20 0 BBADLP CN(C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000087613626 388709614 /nfs/dbraw/zinc/70/96/14/388709614.db2.gz YVGWFDRJNPBKTE-MRVPVSSYSA-N 2 2 200.286 -0.757 20 0 BBADLP CN(C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000087613626 388709612 /nfs/dbraw/zinc/70/96/12/388709612.db2.gz YVGWFDRJNPBKTE-MRVPVSSYSA-N 2 2 200.286 -0.757 20 0 BBADLP CN(C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613627 388709100 /nfs/dbraw/zinc/70/91/00/388709100.db2.gz YVGWFDRJNPBKTE-QMMMGPOBSA-N 2 2 200.286 -0.757 20 0 BBADLP CN(C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613627 388709098 /nfs/dbraw/zinc/70/90/98/388709098.db2.gz YVGWFDRJNPBKTE-QMMMGPOBSA-N 2 2 200.286 -0.757 20 0 BBADLP CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613630 367920545 /nfs/dbraw/zinc/92/05/45/367920545.db2.gz SYIUAKJMMYQKLL-QMMMGPOBSA-N 2 2 200.286 -0.709 20 0 BBADLP CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613630 367920540 /nfs/dbraw/zinc/92/05/40/367920540.db2.gz SYIUAKJMMYQKLL-QMMMGPOBSA-N 2 2 200.286 -0.709 20 0 BBADLP CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000087613631 367920208 /nfs/dbraw/zinc/92/02/08/367920208.db2.gz SYIUAKJMMYQKLL-MRVPVSSYSA-N 2 2 200.286 -0.709 20 0 BBADLP CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000087613631 367920202 /nfs/dbraw/zinc/92/02/02/367920202.db2.gz SYIUAKJMMYQKLL-MRVPVSSYSA-N 2 2 200.286 -0.709 20 0 BBADLP Cn1ccnc1CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613773 367915566 /nfs/dbraw/zinc/91/55/66/367915566.db2.gz AGAYTRSQHSLALS-JTQLQIEISA-N 2 2 223.324 -0.505 20 0 BBADLP Cn1ccnc1CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613773 367915564 /nfs/dbraw/zinc/91/55/64/367915564.db2.gz AGAYTRSQHSLALS-JTQLQIEISA-N 2 2 223.324 -0.505 20 0 BBADLP [NH3+]C1(C(=O)NCC[NH+]2CCOCC2)CCC1 ZINC000088050099 344237250 /nfs/dbraw/zinc/23/72/50/344237250.db2.gz AVNSXVVZINITAY-UHFFFAOYSA-N 2 2 227.308 -0.684 20 0 BBADLP [NH3+]C1(C(=O)N2CC[NH+](CCO)CC2)CCC1 ZINC000088050304 362840960 /nfs/dbraw/zinc/84/09/60/362840960.db2.gz XHKXTNNFBRTQLT-UHFFFAOYSA-N 2 2 227.308 -0.996 20 0 BBADLP [NH3+]C1(C(=O)NCCn2cc[nH+]c2)CCC1 ZINC000088050799 362841528 /nfs/dbraw/zinc/84/15/28/362841528.db2.gz WBNFPDWKYMMKLA-UHFFFAOYSA-N 2 2 208.265 -0.119 20 0 BBADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@H](CO)C1 ZINC000088094138 180256305 /nfs/dbraw/zinc/25/63/05/180256305.db2.gz JARZCWBHAKLXPZ-NSHDSACASA-N 2 2 225.292 -0.115 20 0 BBADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@H](CO)C1 ZINC000088094138 180256302 /nfs/dbraw/zinc/25/63/02/180256302.db2.gz JARZCWBHAKLXPZ-NSHDSACASA-N 2 2 225.292 -0.115 20 0 BBADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@@H](CO)C1 ZINC000088094139 180254006 /nfs/dbraw/zinc/25/40/06/180254006.db2.gz JARZCWBHAKLXPZ-LLVKDONJSA-N 2 2 225.292 -0.115 20 0 BBADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@@H](CO)C1 ZINC000088094139 180254002 /nfs/dbraw/zinc/25/40/02/180254002.db2.gz JARZCWBHAKLXPZ-LLVKDONJSA-N 2 2 225.292 -0.115 20 0 BBADLP C[C@@H]1CO[C@H](CO)C[N@H+]1CCn1cc[nH+]c1 ZINC000088094345 386097118 /nfs/dbraw/zinc/09/71/18/386097118.db2.gz XNTWDTJBYRMTNG-MNOVXSKESA-N 2 2 225.292 -0.035 20 0 BBADLP C[C@@H]1CO[C@H](CO)C[N@@H+]1CCn1cc[nH+]c1 ZINC000088094345 386097113 /nfs/dbraw/zinc/09/71/13/386097113.db2.gz XNTWDTJBYRMTNG-MNOVXSKESA-N 2 2 225.292 -0.035 20 0 BBADLP C[C@H]1CO[C@H](CO)C[N@H+]1CCn1cc[nH+]c1 ZINC000088094346 386096763 /nfs/dbraw/zinc/09/67/63/386096763.db2.gz XNTWDTJBYRMTNG-QWRGUYRKSA-N 2 2 225.292 -0.035 20 0 BBADLP C[C@H]1CO[C@H](CO)C[N@@H+]1CCn1cc[nH+]c1 ZINC000088094346 386096760 /nfs/dbraw/zinc/09/67/60/386096760.db2.gz XNTWDTJBYRMTNG-QWRGUYRKSA-N 2 2 225.292 -0.035 20 0 BBADLP C[C@@H]1CO[C@@H](CO)C[N@H+]1CCn1cc[nH+]c1 ZINC000088094347 351568565 /nfs/dbraw/zinc/56/85/65/351568565.db2.gz XNTWDTJBYRMTNG-GHMZBOCLSA-N 2 2 225.292 -0.035 20 0 BBADLP C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCn1cc[nH+]c1 ZINC000088094347 351568562 /nfs/dbraw/zinc/56/85/62/351568562.db2.gz XNTWDTJBYRMTNG-GHMZBOCLSA-N 2 2 225.292 -0.035 20 0 BBADLP C[C@H]1CO[C@@H](CO)C[N@H+]1CCn1cc[nH+]c1 ZINC000088094348 351568585 /nfs/dbraw/zinc/56/85/85/351568585.db2.gz XNTWDTJBYRMTNG-WDEREUQCSA-N 2 2 225.292 -0.035 20 0 BBADLP C[C@H]1CO[C@@H](CO)C[N@@H+]1CCn1cc[nH+]c1 ZINC000088094348 351568584 /nfs/dbraw/zinc/56/85/84/351568584.db2.gz XNTWDTJBYRMTNG-WDEREUQCSA-N 2 2 225.292 -0.035 20 0 BBADLP CC(C)(CNC(=O)C1([NH3+])CC1)[NH+]1CCOCC1 ZINC000088130755 641317105 /nfs/dbraw/zinc/31/71/05/641317105.db2.gz MDURIHMIEBIBPD-UHFFFAOYSA-N 2 2 241.335 -0.295 20 0 BBADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NC1CC1 ZINC000088287577 343718839 /nfs/dbraw/zinc/71/88/39/343718839.db2.gz OBMKXNQZUNJQHW-DTORHVGOSA-N 2 2 209.293 -0.584 20 0 BBADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NC1CC1 ZINC000088287577 343718838 /nfs/dbraw/zinc/71/88/38/343718838.db2.gz OBMKXNQZUNJQHW-DTORHVGOSA-N 2 2 209.293 -0.584 20 0 BBADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NC1CC1 ZINC000088287578 356656972 /nfs/dbraw/zinc/65/69/72/356656972.db2.gz OBMKXNQZUNJQHW-RKDXNWHRSA-N 2 2 209.293 -0.584 20 0 BBADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NC1CC1 ZINC000088287581 356656904 /nfs/dbraw/zinc/65/69/04/356656904.db2.gz OBMKXNQZUNJQHW-IUCAKERBSA-N 2 2 209.293 -0.584 20 0 BBADLP CCCNC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287656 343718812 /nfs/dbraw/zinc/71/88/12/343718812.db2.gz DWRHIEAPFOVUKH-AOOOYVTPSA-N 2 2 211.309 -0.336 20 0 BBADLP CCCNC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287656 343718810 /nfs/dbraw/zinc/71/88/10/343718810.db2.gz DWRHIEAPFOVUKH-AOOOYVTPSA-N 2 2 211.309 -0.336 20 0 BBADLP CCCNC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088287658 356657195 /nfs/dbraw/zinc/65/71/95/356657195.db2.gz DWRHIEAPFOVUKH-NXEZZACHSA-N 2 2 211.309 -0.336 20 0 BBADLP CCCNC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000088287660 356657166 /nfs/dbraw/zinc/65/71/66/356657166.db2.gz DWRHIEAPFOVUKH-UWVGGRQHSA-N 2 2 211.309 -0.336 20 0 BBADLP CC(C)NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287824 343718586 /nfs/dbraw/zinc/71/85/86/343718586.db2.gz HEXUJPQWMHMJBG-AOOOYVTPSA-N 2 2 211.309 -0.338 20 0 BBADLP CC(C)NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287824 343718585 /nfs/dbraw/zinc/71/85/85/343718585.db2.gz HEXUJPQWMHMJBG-AOOOYVTPSA-N 2 2 211.309 -0.338 20 0 BBADLP CC(C)NC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088287825 356657159 /nfs/dbraw/zinc/65/71/59/356657159.db2.gz HEXUJPQWMHMJBG-NXEZZACHSA-N 2 2 211.309 -0.338 20 0 BBADLP CC(C)NC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000088287828 344238931 /nfs/dbraw/zinc/23/89/31/344238931.db2.gz HEXUJPQWMHMJBG-UWVGGRQHSA-N 2 2 211.309 -0.338 20 0 BBADLP CC(C)CNC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287838 387137632 /nfs/dbraw/zinc/13/76/32/387137632.db2.gz PCUVOVUGKQHSCN-PHIMTYICSA-N 2 2 225.336 -0.090 20 0 BBADLP CC(C)CNC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287838 387137625 /nfs/dbraw/zinc/13/76/25/387137625.db2.gz PCUVOVUGKQHSCN-PHIMTYICSA-N 2 2 225.336 -0.090 20 0 BBADLP CC(C)CNC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088287841 344239023 /nfs/dbraw/zinc/23/90/23/344239023.db2.gz PCUVOVUGKQHSCN-GHMZBOCLSA-N 2 2 225.336 -0.090 20 0 BBADLP CC(C)CNC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000088287845 356655474 /nfs/dbraw/zinc/65/54/74/356655474.db2.gz PCUVOVUGKQHSCN-QWRGUYRKSA-N 2 2 225.336 -0.090 20 0 BBADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088288175 387138612 /nfs/dbraw/zinc/13/86/12/387138612.db2.gz IFFDANATOMKNQH-LPEHRKFASA-N 2 2 223.320 -0.195 20 0 BBADLP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088288175 387138603 /nfs/dbraw/zinc/13/86/03/387138603.db2.gz IFFDANATOMKNQH-LPEHRKFASA-N 2 2 223.320 -0.195 20 0 BBADLP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088288179 387137785 /nfs/dbraw/zinc/13/77/85/387137785.db2.gz IFFDANATOMKNQH-BBBLOLIVSA-N 2 2 223.320 -0.195 20 0 BBADLP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088288179 387137782 /nfs/dbraw/zinc/13/77/82/387137782.db2.gz IFFDANATOMKNQH-BBBLOLIVSA-N 2 2 223.320 -0.195 20 0 BBADLP C[C@H](C(=O)NC1CC1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088288185 356656240 /nfs/dbraw/zinc/65/62/40/356656240.db2.gz IFFDANATOMKNQH-OPRDCNLKSA-N 2 2 223.320 -0.195 20 0 BBADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCCC1 ZINC000088288206 387138406 /nfs/dbraw/zinc/13/84/06/387138406.db2.gz YXEQLRUJEYVZML-PHIMTYICSA-N 2 2 223.320 -0.240 20 0 BBADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCCC1 ZINC000088288206 387138402 /nfs/dbraw/zinc/13/84/02/387138402.db2.gz YXEQLRUJEYVZML-PHIMTYICSA-N 2 2 223.320 -0.240 20 0 BBADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCCC1 ZINC000088288209 356656264 /nfs/dbraw/zinc/65/62/64/356656264.db2.gz YXEQLRUJEYVZML-GHMZBOCLSA-N 2 2 223.320 -0.240 20 0 BBADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCCC1 ZINC000088288212 356656254 /nfs/dbraw/zinc/65/62/54/356656254.db2.gz YXEQLRUJEYVZML-QWRGUYRKSA-N 2 2 223.320 -0.240 20 0 BBADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCC1 ZINC000088288258 356656329 /nfs/dbraw/zinc/65/63/29/356656329.db2.gz KCHDAZRFDDWRHZ-AOOOYVTPSA-N 2 2 209.293 -0.630 20 0 BBADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCC1 ZINC000088288258 356656328 /nfs/dbraw/zinc/65/63/28/356656328.db2.gz KCHDAZRFDDWRHZ-AOOOYVTPSA-N 2 2 209.293 -0.630 20 0 BBADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCC1 ZINC000088288260 356656273 /nfs/dbraw/zinc/65/62/73/356656273.db2.gz KCHDAZRFDDWRHZ-NXEZZACHSA-N 2 2 209.293 -0.630 20 0 BBADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCC1 ZINC000088288264 356656376 /nfs/dbraw/zinc/65/63/76/356656376.db2.gz KCHDAZRFDDWRHZ-UWVGGRQHSA-N 2 2 209.293 -0.630 20 0 BBADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCC1CC1 ZINC000088288269 387137916 /nfs/dbraw/zinc/13/79/16/387137916.db2.gz AAWHZRQANFQTIK-PHIMTYICSA-N 2 2 223.320 -0.336 20 0 BBADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCC1CC1 ZINC000088288269 387137910 /nfs/dbraw/zinc/13/79/10/387137910.db2.gz AAWHZRQANFQTIK-PHIMTYICSA-N 2 2 223.320 -0.336 20 0 BBADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NCC1CC1 ZINC000088288273 356656267 /nfs/dbraw/zinc/65/62/67/356656267.db2.gz AAWHZRQANFQTIK-GHMZBOCLSA-N 2 2 223.320 -0.336 20 0 BBADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NCC1CC1 ZINC000088288275 356656298 /nfs/dbraw/zinc/65/62/98/356656298.db2.gz AAWHZRQANFQTIK-QWRGUYRKSA-N 2 2 223.320 -0.336 20 0 BBADLP CCN(C)C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088301048 356660789 /nfs/dbraw/zinc/66/07/89/356660789.db2.gz ODMZOMWJDGJOBO-AOOOYVTPSA-N 2 2 211.309 -0.384 20 0 BBADLP CCN(C)C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088301048 356660788 /nfs/dbraw/zinc/66/07/88/356660788.db2.gz ODMZOMWJDGJOBO-AOOOYVTPSA-N 2 2 211.309 -0.384 20 0 BBADLP CCN(C)C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088301050 356660741 /nfs/dbraw/zinc/66/07/41/356660741.db2.gz ODMZOMWJDGJOBO-NXEZZACHSA-N 2 2 211.309 -0.384 20 0 BBADLP CCN(C)C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000088301051 356660797 /nfs/dbraw/zinc/66/07/97/356660797.db2.gz ODMZOMWJDGJOBO-UWVGGRQHSA-N 2 2 211.309 -0.384 20 0 BBADLP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000088357767 359948183 /nfs/dbraw/zinc/94/81/83/359948183.db2.gz JFKVBUHALPSQDC-MNOVXSKESA-N 2 2 241.335 -0.425 20 0 BBADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000088357767 359948177 /nfs/dbraw/zinc/94/81/77/359948177.db2.gz JFKVBUHALPSQDC-MNOVXSKESA-N 2 2 241.335 -0.425 20 0 BBADLP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000088357768 359948422 /nfs/dbraw/zinc/94/84/22/359948422.db2.gz JFKVBUHALPSQDC-QWRGUYRKSA-N 2 2 241.335 -0.425 20 0 BBADLP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000088357768 359948418 /nfs/dbraw/zinc/94/84/18/359948418.db2.gz JFKVBUHALPSQDC-QWRGUYRKSA-N 2 2 241.335 -0.425 20 0 BBADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1COCC[NH2+]1 ZINC000088357909 359947926 /nfs/dbraw/zinc/94/79/26/359947926.db2.gz ZYMQWNKXCCHYMK-JTQLQIEISA-N 2 2 238.291 -0.622 20 0 BBADLP O=C(NCCCn1cc[nH+]c1)[C@H]1COCC[NH2+]1 ZINC000088357910 359948869 /nfs/dbraw/zinc/94/88/69/359948869.db2.gz ZYMQWNKXCCHYMK-SNVBAGLBSA-N 2 2 238.291 -0.622 20 0 BBADLP CC(C)[NH+]1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000088358031 359948940 /nfs/dbraw/zinc/94/89/40/359948940.db2.gz CAVITAUEIRKZJC-NSHDSACASA-N 2 2 241.335 -0.473 20 0 BBADLP CC(C)[NH+]1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000088358032 359948952 /nfs/dbraw/zinc/94/89/52/359948952.db2.gz CAVITAUEIRKZJC-LLVKDONJSA-N 2 2 241.335 -0.473 20 0 BBADLP O=C([C@@H]1COCC[NH2+]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000088370783 359948344 /nfs/dbraw/zinc/94/83/44/359948344.db2.gz AVPFUNUUKMZEIS-MNOVXSKESA-N 2 2 239.319 -0.719 20 0 BBADLP O=C([C@@H]1COCC[NH2+]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000088370784 359948504 /nfs/dbraw/zinc/94/85/04/359948504.db2.gz AVPFUNUUKMZEIS-QWRGUYRKSA-N 2 2 239.319 -0.719 20 0 BBADLP O=C([C@@H]1COCC[NH2+]1)N1CC[NH+](C2CC2)CC1 ZINC000088371187 359949823 /nfs/dbraw/zinc/94/98/23/359949823.db2.gz ZWMPEBPEIYINBP-NSHDSACASA-N 2 2 239.319 -0.719 20 0 BBADLP O=C([C@H]1COCC[NH2+]1)N1CC[NH+](C2CC2)CC1 ZINC000088371188 359949986 /nfs/dbraw/zinc/94/99/86/359949986.db2.gz ZWMPEBPEIYINBP-LLVKDONJSA-N 2 2 239.319 -0.719 20 0 BBADLP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000088371540 359950033 /nfs/dbraw/zinc/95/00/33/359950033.db2.gz PSMBNESFMLOCIT-QWRGUYRKSA-N 2 2 241.335 -0.425 20 0 BBADLP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000088371540 359950032 /nfs/dbraw/zinc/95/00/32/359950032.db2.gz PSMBNESFMLOCIT-QWRGUYRKSA-N 2 2 241.335 -0.425 20 0 BBADLP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000088371541 359950013 /nfs/dbraw/zinc/95/00/13/359950013.db2.gz PSMBNESFMLOCIT-MNOVXSKESA-N 2 2 241.335 -0.425 20 0 BBADLP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000088371541 359950010 /nfs/dbraw/zinc/95/00/10/359950010.db2.gz PSMBNESFMLOCIT-MNOVXSKESA-N 2 2 241.335 -0.425 20 0 BBADLP O=C(NCC[NH+]1CCCCC1)[C@@H]1COCC[NH2+]1 ZINC000088372006 135519974 /nfs/dbraw/zinc/51/99/74/135519974.db2.gz RRIJXNDSCBFMNJ-NSHDSACASA-N 2 2 241.335 -0.423 20 0 BBADLP O=C(NCC[NH+]1CCCCC1)[C@H]1COCC[NH2+]1 ZINC000088372007 359949704 /nfs/dbraw/zinc/94/97/04/359949704.db2.gz RRIJXNDSCBFMNJ-LLVKDONJSA-N 2 2 241.335 -0.423 20 0 BBADLP CN(C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000088430165 359954144 /nfs/dbraw/zinc/95/41/44/359954144.db2.gz YTTGZVBSFDVETC-AOOOYVTPSA-N 2 2 223.320 -0.242 20 0 BBADLP CN(C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000088430165 359954138 /nfs/dbraw/zinc/95/41/38/359954138.db2.gz YTTGZVBSFDVETC-AOOOYVTPSA-N 2 2 223.320 -0.242 20 0 BBADLP CN(C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000088430166 356707742 /nfs/dbraw/zinc/70/77/42/356707742.db2.gz YTTGZVBSFDVETC-NXEZZACHSA-N 2 2 223.320 -0.242 20 0 BBADLP CN(C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000088430168 356708044 /nfs/dbraw/zinc/70/80/44/356708044.db2.gz YTTGZVBSFDVETC-UWVGGRQHSA-N 2 2 223.320 -0.242 20 0 BBADLP O=C(C[C@H]1CC[NH2+]C1)NCC[NH+]1CCOCC1 ZINC000089717696 487848926 /nfs/dbraw/zinc/84/89/26/487848926.db2.gz GUFCJZJTSMZKHG-LLVKDONJSA-N 2 2 241.335 -0.566 20 0 BBADLP CN1C(=O)CC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1=O ZINC000090023674 386232052 /nfs/dbraw/zinc/23/20/52/386232052.db2.gz ZJMYGUAEPZBMIZ-SNVBAGLBSA-N 2 2 239.319 -0.182 20 0 BBADLP CN1C(=O)CC[C@H]([NH2+]C2CC[NH+](C)CC2)C1=O ZINC000090023676 386232787 /nfs/dbraw/zinc/23/27/87/386232787.db2.gz ZJMYGUAEPZBMIZ-JTQLQIEISA-N 2 2 239.319 -0.182 20 0 BBADLP Cn1c[nH+]cc1C[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000090167247 398228504 /nfs/dbraw/zinc/22/85/04/398228504.db2.gz HSAZCQNTSLEZNE-SECBINFHSA-N 2 2 236.275 -0.343 20 0 BBADLP Cn1c[nH+]cc1C[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000090167249 398228488 /nfs/dbraw/zinc/22/84/88/398228488.db2.gz HSAZCQNTSLEZNE-VIFPVBQESA-N 2 2 236.275 -0.343 20 0 BBADLP O=C(CCn1cc[nH+]c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090321514 386238713 /nfs/dbraw/zinc/23/87/13/386238713.db2.gz LMQNNTHWXFYDMP-PHIMTYICSA-N 2 2 234.303 -0.049 20 0 BBADLP O=C(C[C@@H]1C[NH2+]CCO1)NCCn1cc[nH+]c1 ZINC000091310874 182022221 /nfs/dbraw/zinc/02/22/21/182022221.db2.gz GVMNNXYJFUSFCJ-SNVBAGLBSA-N 2 2 238.291 -0.622 20 0 BBADLP O=C(C[C@H]1C[NH2+]CCO1)NCCn1cc[nH+]c1 ZINC000091310876 182031208 /nfs/dbraw/zinc/03/12/08/182031208.db2.gz GVMNNXYJFUSFCJ-JTQLQIEISA-N 2 2 238.291 -0.622 20 0 BBADLP O=C(C1C[NH2+]C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000091411434 386297682 /nfs/dbraw/zinc/29/76/82/386297682.db2.gz DJLRKDUVPGYFSW-LLVKDONJSA-N 2 2 239.319 -0.861 20 0 BBADLP O=C(C1C[NH2+]C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000091411437 386296755 /nfs/dbraw/zinc/29/67/55/386296755.db2.gz DJLRKDUVPGYFSW-NSHDSACASA-N 2 2 239.319 -0.861 20 0 BBADLP C[C@@H](C[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000091537139 388764493 /nfs/dbraw/zinc/76/44/93/388764493.db2.gz KLGFPJNVDVCKLB-LBPRGKRZSA-N 2 2 227.352 -0.046 20 0 BBADLP C[C@H](C[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000091537140 388765260 /nfs/dbraw/zinc/76/52/60/388765260.db2.gz KLGFPJNVDVCKLB-GFCCVEGCSA-N 2 2 227.352 -0.046 20 0 BBADLP CCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000091669083 360123432 /nfs/dbraw/zinc/12/34/32/360123432.db2.gz UWCWSZYWKGDUPP-MNOVXSKESA-N 2 2 243.351 -0.049 20 0 BBADLP CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000091669085 360122630 /nfs/dbraw/zinc/12/26/30/360122630.db2.gz UWCWSZYWKGDUPP-GHMZBOCLSA-N 2 2 243.351 -0.049 20 0 BBADLP CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000091669087 360123503 /nfs/dbraw/zinc/12/35/03/360123503.db2.gz UWCWSZYWKGDUPP-QWRGUYRKSA-N 2 2 243.351 -0.049 20 0 BBADLP CCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000091669088 360123307 /nfs/dbraw/zinc/12/33/07/360123307.db2.gz UWCWSZYWKGDUPP-WDEREUQCSA-N 2 2 243.351 -0.049 20 0 BBADLP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000091669136 360123171 /nfs/dbraw/zinc/12/31/71/360123171.db2.gz HDPCPLNIYIXJEO-MNOVXSKESA-N 2 2 243.351 -0.193 20 0 BBADLP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000091669139 360123414 /nfs/dbraw/zinc/12/34/14/360123414.db2.gz HDPCPLNIYIXJEO-QWRGUYRKSA-N 2 2 243.351 -0.193 20 0 BBADLP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000091669139 360123412 /nfs/dbraw/zinc/12/34/12/360123412.db2.gz HDPCPLNIYIXJEO-QWRGUYRKSA-N 2 2 243.351 -0.193 20 0 BBADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000091669213 171395684 /nfs/dbraw/zinc/39/56/84/171395684.db2.gz BPDFXWPVIRMILJ-AXFHLTTASA-N 2 2 243.351 -0.193 20 0 BBADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000091669213 171395683 /nfs/dbraw/zinc/39/56/83/171395683.db2.gz BPDFXWPVIRMILJ-AXFHLTTASA-N 2 2 243.351 -0.193 20 0 BBADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000091669215 171395567 /nfs/dbraw/zinc/39/55/67/171395567.db2.gz BPDFXWPVIRMILJ-DCAQKATOSA-N 2 2 243.351 -0.193 20 0 BBADLP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000091669258 360123479 /nfs/dbraw/zinc/12/34/79/360123479.db2.gz HDPCPLNIYIXJEO-GHMZBOCLSA-N 2 2 243.351 -0.193 20 0 BBADLP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000091669259 360123111 /nfs/dbraw/zinc/12/31/11/360123111.db2.gz HDPCPLNIYIXJEO-WDEREUQCSA-N 2 2 243.351 -0.193 20 0 BBADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000091669372 384138877 /nfs/dbraw/zinc/13/88/77/384138877.db2.gz BPDFXWPVIRMILJ-MXWKQRLJSA-N 2 2 243.351 -0.193 20 0 BBADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000091669376 171371282 /nfs/dbraw/zinc/37/12/82/171371282.db2.gz BPDFXWPVIRMILJ-HBNTYKKESA-N 2 2 243.351 -0.193 20 0 BBADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000091669376 171371280 /nfs/dbraw/zinc/37/12/80/171371280.db2.gz BPDFXWPVIRMILJ-HBNTYKKESA-N 2 2 243.351 -0.193 20 0 BBADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000091669450 384138145 /nfs/dbraw/zinc/13/81/45/384138145.db2.gz BPDFXWPVIRMILJ-VWYCJHECSA-N 2 2 243.351 -0.193 20 0 BBADLP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000091669579 386303083 /nfs/dbraw/zinc/30/30/83/386303083.db2.gz DPCGJDGTDJBFBL-PWSUYJOCSA-N 2 2 243.351 -0.049 20 0 BBADLP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000091669579 386303079 /nfs/dbraw/zinc/30/30/79/386303079.db2.gz DPCGJDGTDJBFBL-PWSUYJOCSA-N 2 2 243.351 -0.049 20 0 BBADLP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000091669582 386303006 /nfs/dbraw/zinc/30/30/06/386303006.db2.gz DPCGJDGTDJBFBL-ZYHUDNBSSA-N 2 2 243.351 -0.049 20 0 BBADLP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000091669582 386302998 /nfs/dbraw/zinc/30/29/98/386302998.db2.gz DPCGJDGTDJBFBL-ZYHUDNBSSA-N 2 2 243.351 -0.049 20 0 BBADLP CCC[C@](C)([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000091669585 386304101 /nfs/dbraw/zinc/30/41/01/386304101.db2.gz DPCGJDGTDJBFBL-JQWIXIFHSA-N 2 2 243.351 -0.049 20 0 BBADLP CCC[C@](C)([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000091669585 386304097 /nfs/dbraw/zinc/30/40/97/386304097.db2.gz DPCGJDGTDJBFBL-JQWIXIFHSA-N 2 2 243.351 -0.049 20 0 BBADLP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000091669588 386303241 /nfs/dbraw/zinc/30/32/41/386303241.db2.gz DPCGJDGTDJBFBL-CMPLNLGQSA-N 2 2 243.351 -0.049 20 0 BBADLP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000091669588 386303235 /nfs/dbraw/zinc/30/32/35/386303235.db2.gz DPCGJDGTDJBFBL-CMPLNLGQSA-N 2 2 243.351 -0.049 20 0 BBADLP O=C1NC[C@@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)CCN12 ZINC000091753247 386305763 /nfs/dbraw/zinc/30/57/63/386305763.db2.gz UFAZPQXTSSSNSQ-WDEREUQCSA-N 2 2 238.335 -0.305 20 0 BBADLP O=C1NC[C@@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)CCN12 ZINC000091753247 386305759 /nfs/dbraw/zinc/30/57/59/386305759.db2.gz UFAZPQXTSSSNSQ-WDEREUQCSA-N 2 2 238.335 -0.305 20 0 BBADLP O=C1NC[C@@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)CCN12 ZINC000091753249 386306815 /nfs/dbraw/zinc/30/68/15/386306815.db2.gz UFAZPQXTSSSNSQ-GHMZBOCLSA-N 2 2 238.335 -0.305 20 0 BBADLP O=C1NC[C@@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)CCN12 ZINC000091753249 386306811 /nfs/dbraw/zinc/30/68/11/386306811.db2.gz UFAZPQXTSSSNSQ-GHMZBOCLSA-N 2 2 238.335 -0.305 20 0 BBADLP C[NH2+]C[C@H](C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000092133019 173374922 /nfs/dbraw/zinc/37/49/22/173374922.db2.gz HFLFFWDTCWMBKA-QWRGUYRKSA-N 2 2 243.351 -0.321 20 0 BBADLP C[NH2+]C[C@@H](C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000092133020 173363044 /nfs/dbraw/zinc/36/30/44/173363044.db2.gz HFLFFWDTCWMBKA-MNOVXSKESA-N 2 2 243.351 -0.321 20 0 BBADLP C[NH2+]C[C@H](C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000092133021 173374852 /nfs/dbraw/zinc/37/48/52/173374852.db2.gz HFLFFWDTCWMBKA-WDEREUQCSA-N 2 2 243.351 -0.321 20 0 BBADLP C[NH2+]C[C@@H](C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000092133022 173363548 /nfs/dbraw/zinc/36/35/48/173363548.db2.gz HFLFFWDTCWMBKA-GHMZBOCLSA-N 2 2 243.351 -0.321 20 0 BBADLP CC(C)[C@@H](CO)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000092400342 360169658 /nfs/dbraw/zinc/16/96/58/360169658.db2.gz WIWGIYUBBFGSOW-LLVKDONJSA-N 2 2 243.351 -0.633 20 0 BBADLP CC(C)[C@H](CO)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000092400344 360169518 /nfs/dbraw/zinc/16/95/18/360169518.db2.gz WIWGIYUBBFGSOW-NSHDSACASA-N 2 2 243.351 -0.633 20 0 BBADLP COCC[NH2+]CC(=O)NCCCn1cc[nH+]c1 ZINC000092495177 174330960 /nfs/dbraw/zinc/33/09/60/174330960.db2.gz VRXMRWMPXRFWTE-UHFFFAOYSA-N 2 2 240.307 -0.375 20 0 BBADLP COCC[NH2+]CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000092495232 174331563 /nfs/dbraw/zinc/33/15/63/174331563.db2.gz AXPOFVUNCGTPOJ-JTQLQIEISA-N 2 2 240.307 -0.376 20 0 BBADLP COCC[NH2+]CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000092495233 174330758 /nfs/dbraw/zinc/33/07/58/174330758.db2.gz AXPOFVUNCGTPOJ-SNVBAGLBSA-N 2 2 240.307 -0.376 20 0 BBADLP COCC[NH2+]CC(=O)N(C)Cc1[nH+]ccn1C ZINC000092496022 343148162 /nfs/dbraw/zinc/14/81/62/343148162.db2.gz XOLYCJZIVWBQJO-UHFFFAOYSA-N 2 2 240.307 -0.386 20 0 BBADLP COCC[NH2+]CC(=O)N1CC[NH+](C2CC2)CC1 ZINC000092496073 174331735 /nfs/dbraw/zinc/33/17/35/174331735.db2.gz KEQHNBNOZLHOML-UHFFFAOYSA-N 2 2 241.335 -0.471 20 0 BBADLP COC(=O)CCNC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000092714524 343148120 /nfs/dbraw/zinc/14/81/20/343148120.db2.gz MNSNOSXFTFGXMQ-UHFFFAOYSA-N 2 2 243.307 -0.911 20 0 BBADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000092950550 343148619 /nfs/dbraw/zinc/14/86/19/343148619.db2.gz MKRAXPLZQJCVJT-GHMZBOCLSA-N 2 2 241.335 -0.567 20 0 BBADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000092950552 343148595 /nfs/dbraw/zinc/14/85/95/343148595.db2.gz MKRAXPLZQJCVJT-WDEREUQCSA-N 2 2 241.335 -0.567 20 0 BBADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000092950555 343148516 /nfs/dbraw/zinc/14/85/16/343148516.db2.gz MKRAXPLZQJCVJT-MNOVXSKESA-N 2 2 241.335 -0.567 20 0 BBADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000092950556 343148811 /nfs/dbraw/zinc/14/88/11/343148811.db2.gz MKRAXPLZQJCVJT-QWRGUYRKSA-N 2 2 241.335 -0.567 20 0 BBADLP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000092951175 488106203 /nfs/dbraw/zinc/10/62/03/488106203.db2.gz OJJURJCWCDZBKF-GHMZBOCLSA-N 2 2 241.335 -0.879 20 0 BBADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000092951176 488106072 /nfs/dbraw/zinc/10/60/72/488106072.db2.gz OJJURJCWCDZBKF-WDEREUQCSA-N 2 2 241.335 -0.879 20 0 BBADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000092951177 488106213 /nfs/dbraw/zinc/10/62/13/488106213.db2.gz OJJURJCWCDZBKF-MNOVXSKESA-N 2 2 241.335 -0.879 20 0 BBADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000092951178 488106033 /nfs/dbraw/zinc/10/60/33/488106033.db2.gz OJJURJCWCDZBKF-QWRGUYRKSA-N 2 2 241.335 -0.879 20 0 BBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC(C)(C)O ZINC000092971481 360207377 /nfs/dbraw/zinc/20/73/77/360207377.db2.gz QSXCMUPJXSFVPX-UHFFFAOYSA-N 2 2 243.351 -0.537 20 0 BBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)CC(C)(C)O ZINC000092971481 360207374 /nfs/dbraw/zinc/20/73/74/360207374.db2.gz QSXCMUPJXSFVPX-UHFFFAOYSA-N 2 2 243.351 -0.537 20 0 BBADLP COCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093159643 345657943 /nfs/dbraw/zinc/65/79/43/345657943.db2.gz RSULAFXRYRFGDW-UHFFFAOYSA-N 2 2 229.324 -0.661 20 0 BBADLP COCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093159643 345657939 /nfs/dbraw/zinc/65/79/39/345657939.db2.gz RSULAFXRYRFGDW-UHFFFAOYSA-N 2 2 229.324 -0.661 20 0 BBADLP C[C@@H](CO)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093208424 360222845 /nfs/dbraw/zinc/22/28/45/360222845.db2.gz LSUSYZPRGANXLF-JTQLQIEISA-N 2 2 229.324 -0.927 20 0 BBADLP C[C@@H](CO)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093208424 360222843 /nfs/dbraw/zinc/22/28/43/360222843.db2.gz LSUSYZPRGANXLF-JTQLQIEISA-N 2 2 229.324 -0.927 20 0 BBADLP C[C@H](CO)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093208425 360223347 /nfs/dbraw/zinc/22/33/47/360223347.db2.gz LSUSYZPRGANXLF-SNVBAGLBSA-N 2 2 229.324 -0.927 20 0 BBADLP C[C@H](CO)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093208425 360223342 /nfs/dbraw/zinc/22/33/42/360223342.db2.gz LSUSYZPRGANXLF-SNVBAGLBSA-N 2 2 229.324 -0.927 20 0 BBADLP CCNC(=O)NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093874131 360286223 /nfs/dbraw/zinc/28/62/23/360286223.db2.gz CWJNDAPCPKFGJB-UHFFFAOYSA-N 2 2 244.339 -0.251 20 0 BBADLP CCNC(=O)NC(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000093874131 360286222 /nfs/dbraw/zinc/28/62/22/360286222.db2.gz CWJNDAPCPKFGJB-UHFFFAOYSA-N 2 2 244.339 -0.251 20 0 BBADLP C[N@@H+](CC(=O)N1CCOCC1)CC(C)(C)C[NH3+] ZINC000093874268 386429954 /nfs/dbraw/zinc/42/99/54/386429954.db2.gz KQJUVAQXNBRLPB-UHFFFAOYSA-N 2 2 243.351 -0.238 20 0 BBADLP C[N@H+](CC(=O)N1CCOCC1)CC(C)(C)C[NH3+] ZINC000093874268 386429949 /nfs/dbraw/zinc/42/99/49/386429949.db2.gz KQJUVAQXNBRLPB-UHFFFAOYSA-N 2 2 243.351 -0.238 20 0 BBADLP [NH3+]C1(CC(=O)NCC[NH+]2CCOCC2)CCC1 ZINC000094293468 487523925 /nfs/dbraw/zinc/52/39/25/487523925.db2.gz KKQZRSJXDPGDNQ-UHFFFAOYSA-N 2 2 241.335 -0.294 20 0 BBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094341468 173288214 /nfs/dbraw/zinc/28/82/14/173288214.db2.gz QSNVXUKOGVFJGF-VGMNWLOBSA-N 2 2 242.323 -0.500 20 0 BBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094341468 173288213 /nfs/dbraw/zinc/28/82/13/173288213.db2.gz QSNVXUKOGVFJGF-VGMNWLOBSA-N 2 2 242.323 -0.500 20 0 BBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000094341469 173288109 /nfs/dbraw/zinc/28/81/09/173288109.db2.gz QSNVXUKOGVFJGF-CIUDSAMLSA-N 2 2 242.323 -0.500 20 0 BBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000094341469 173288108 /nfs/dbraw/zinc/28/81/08/173288108.db2.gz QSNVXUKOGVFJGF-CIUDSAMLSA-N 2 2 242.323 -0.500 20 0 BBADLP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)CC[C@@H]1[NH3+] ZINC000094341840 176283069 /nfs/dbraw/zinc/28/30/69/176283069.db2.gz YQQWQRDSIMKOCV-MNOVXSKESA-N 2 2 241.335 -0.486 20 0 BBADLP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)CC[C@@H]1[NH3+] ZINC000094341840 176283068 /nfs/dbraw/zinc/28/30/68/176283068.db2.gz YQQWQRDSIMKOCV-MNOVXSKESA-N 2 2 241.335 -0.486 20 0 BBADLP C[C@H]1C[N@@H+](CC(=O)N2CCOCC2)CC[C@@H]1[NH3+] ZINC000094341841 177243577 /nfs/dbraw/zinc/24/35/77/177243577.db2.gz YQQWQRDSIMKOCV-QWRGUYRKSA-N 2 2 241.335 -0.486 20 0 BBADLP C[C@H]1C[N@H+](CC(=O)N2CCOCC2)CC[C@@H]1[NH3+] ZINC000094341841 177243576 /nfs/dbraw/zinc/24/35/76/177243576.db2.gz YQQWQRDSIMKOCV-QWRGUYRKSA-N 2 2 241.335 -0.486 20 0 BBADLP COCCCNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094341866 343156214 /nfs/dbraw/zinc/15/62/14/343156214.db2.gz BIDFURKMXJLEPF-MNOVXSKESA-N 2 2 243.351 -0.192 20 0 BBADLP COCCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094341866 343156213 /nfs/dbraw/zinc/15/62/13/343156213.db2.gz BIDFURKMXJLEPF-MNOVXSKESA-N 2 2 243.351 -0.192 20 0 BBADLP COCCCNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000094341867 344327749 /nfs/dbraw/zinc/32/77/49/344327749.db2.gz BIDFURKMXJLEPF-QWRGUYRKSA-N 2 2 243.351 -0.192 20 0 BBADLP COCCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000094341867 344327745 /nfs/dbraw/zinc/32/77/45/344327745.db2.gz BIDFURKMXJLEPF-QWRGUYRKSA-N 2 2 243.351 -0.192 20 0 BBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094342060 170076853 /nfs/dbraw/zinc/07/68/53/170076853.db2.gz UDQLHLBKMTYYLT-BDAKNGLRSA-N 2 2 242.323 -0.499 20 0 BBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094342060 170076851 /nfs/dbraw/zinc/07/68/51/170076851.db2.gz UDQLHLBKMTYYLT-BDAKNGLRSA-N 2 2 242.323 -0.499 20 0 BBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094342061 170076335 /nfs/dbraw/zinc/07/63/35/170076335.db2.gz UDQLHLBKMTYYLT-RKDXNWHRSA-N 2 2 242.323 -0.499 20 0 BBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094342061 170076332 /nfs/dbraw/zinc/07/63/32/170076332.db2.gz UDQLHLBKMTYYLT-RKDXNWHRSA-N 2 2 242.323 -0.499 20 0 BBADLP [NH3+]C[C@H]1CC[C@@H](C(=O)NCCn2cc[nH+]c2)O1 ZINC000094570568 398244950 /nfs/dbraw/zinc/24/49/50/398244950.db2.gz WYTLBYUBXKEHPP-ZJUUUORDSA-N 2 2 238.291 -0.494 20 0 BBADLP Cc1ccc(NC(=O)CNC(=O)C[NH3+])c(C)[nH+]1 ZINC000094666005 386464679 /nfs/dbraw/zinc/46/46/79/386464679.db2.gz MHPPUZNZVJAWQR-UHFFFAOYSA-N 2 2 236.275 -0.288 20 0 BBADLP C[NH+]1CCN(C(=O)C[NH2+]CC2(C)COC2)CC1 ZINC000094722114 537845264 /nfs/dbraw/zinc/84/52/64/537845264.db2.gz LSYMJOWMIFXPSM-UHFFFAOYSA-N 2 2 241.335 -0.614 20 0 BBADLP CC1(OCC(=O)NCCn2cc[nH+]c2)C[NH2+]C1 ZINC000098061560 487720625 /nfs/dbraw/zinc/72/06/25/487720625.db2.gz JDZIKIXBIFXYDO-UHFFFAOYSA-N 2 2 238.291 -0.622 20 0 BBADLP Cn1cc[nH+]c1CNC(=O)COC1(C)C[NH2+]C1 ZINC000098061750 487720592 /nfs/dbraw/zinc/72/05/92/487720592.db2.gz ZVDQOIXRMXAXFJ-UHFFFAOYSA-N 2 2 238.291 -0.585 20 0 BBADLP CC1(OCC(=O)NCCc2[nH]cc[nH+]2)C[NH2+]C1 ZINC000098061763 487720712 /nfs/dbraw/zinc/72/07/12/487720712.db2.gz WWZDZHTUBWYTAY-UHFFFAOYSA-N 2 2 238.291 -0.553 20 0 BBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000098192987 345690275 /nfs/dbraw/zinc/69/02/75/345690275.db2.gz NKJLCNOSFZCWFO-NSHDSACASA-N 2 2 241.335 -0.519 20 0 BBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000098192987 345690272 /nfs/dbraw/zinc/69/02/72/345690272.db2.gz NKJLCNOSFZCWFO-NSHDSACASA-N 2 2 241.335 -0.519 20 0 BBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000098192988 345690078 /nfs/dbraw/zinc/69/00/78/345690078.db2.gz NKJLCNOSFZCWFO-LLVKDONJSA-N 2 2 241.335 -0.519 20 0 BBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000098192988 345690075 /nfs/dbraw/zinc/69/00/75/345690075.db2.gz NKJLCNOSFZCWFO-LLVKDONJSA-N 2 2 241.335 -0.519 20 0 BBADLP C[NH+](C)CCC[N@@H+](C)CCn1cc(C[NH3+])nn1 ZINC000104197139 410929079 /nfs/dbraw/zinc/92/90/79/410929079.db2.gz QGYJTLVPUUXJID-UHFFFAOYSA-N 3 2 240.355 -0.380 20 0 BBADLP C[NH+](C)CCC[N@H+](C)CCn1cc(C[NH3+])nn1 ZINC000104197139 410929070 /nfs/dbraw/zinc/92/90/70/410929070.db2.gz QGYJTLVPUUXJID-UHFFFAOYSA-N 3 2 240.355 -0.380 20 0 BBADLP C[C@H]([C@H](C)NC(=O)C[NH+](C)C)[NH+]1CCOCC1 ZINC000104938242 384849799 /nfs/dbraw/zinc/84/97/99/384849799.db2.gz LDOFZPFKSULRKK-WDEREUQCSA-N 2 2 243.351 -0.227 20 0 BBADLP C[C@@H](NC(=O)C[NH+](C)C)[C@@H](C)[NH+]1CCOCC1 ZINC000104938246 384739103 /nfs/dbraw/zinc/73/91/03/384739103.db2.gz LDOFZPFKSULRKK-GHMZBOCLSA-N 2 2 243.351 -0.227 20 0 BBADLP C[C@H](NC(=O)C[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000104938249 384740260 /nfs/dbraw/zinc/74/02/60/384740260.db2.gz LDOFZPFKSULRKK-QWRGUYRKSA-N 2 2 243.351 -0.227 20 0 BBADLP C[C@@H](NC(=O)C[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000104938250 176011136 /nfs/dbraw/zinc/01/11/36/176011136.db2.gz LDOFZPFKSULRKK-MNOVXSKESA-N 2 2 243.351 -0.227 20 0 BBADLP C[N@@H+](CCCO)C1CC[NH+](CCO)CC1 ZINC000105916022 397786382 /nfs/dbraw/zinc/78/63/82/397786382.db2.gz UMFZQPKFYADWKL-UHFFFAOYSA-N 2 2 216.325 -0.243 20 0 BBADLP C[N@H+](CCCO)C1CC[NH+](CCO)CC1 ZINC000105916022 397786377 /nfs/dbraw/zinc/78/63/77/397786377.db2.gz UMFZQPKFYADWKL-UHFFFAOYSA-N 2 2 216.325 -0.243 20 0 BBADLP C[NH+](C)CC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000106382685 385506461 /nfs/dbraw/zinc/50/64/61/385506461.db2.gz IOORXCBYEHDMNB-UHFFFAOYSA-N 2 2 243.351 -0.537 20 0 BBADLP COCCCNC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107575581 368502364 /nfs/dbraw/zinc/50/23/64/368502364.db2.gz SMVRNSCANVKRQN-PHIMTYICSA-N 2 2 241.335 -0.710 20 0 BBADLP COCCCNC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107575581 368502356 /nfs/dbraw/zinc/50/23/56/368502356.db2.gz SMVRNSCANVKRQN-PHIMTYICSA-N 2 2 241.335 -0.710 20 0 BBADLP COCCCNC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107575586 369353950 /nfs/dbraw/zinc/35/39/50/369353950.db2.gz SMVRNSCANVKRQN-GHMZBOCLSA-N 2 2 241.335 -0.710 20 0 BBADLP COCCCNC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107575590 369354091 /nfs/dbraw/zinc/35/40/91/369354091.db2.gz SMVRNSCANVKRQN-QWRGUYRKSA-N 2 2 241.335 -0.710 20 0 BBADLP CC1(C)C(=O)NCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000110657833 368785770 /nfs/dbraw/zinc/78/57/70/368785770.db2.gz ODYUBHHZBQRCFD-UHFFFAOYSA-N 2 2 240.351 -0.898 20 0 BBADLP CC1(C)C(=O)NCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000110657833 368785768 /nfs/dbraw/zinc/78/57/68/368785768.db2.gz ODYUBHHZBQRCFD-UHFFFAOYSA-N 2 2 240.351 -0.898 20 0 BBADLP CC[C@@H]1C(=O)NCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000110679658 368789918 /nfs/dbraw/zinc/78/99/18/368789918.db2.gz BUDGSNJATOJINK-LLVKDONJSA-N 2 2 240.351 -0.898 20 0 BBADLP CC[C@@H]1C(=O)NCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000110679658 368789914 /nfs/dbraw/zinc/78/99/14/368789914.db2.gz BUDGSNJATOJINK-LLVKDONJSA-N 2 2 240.351 -0.898 20 0 BBADLP CC[C@H]1C(=O)NCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000110679659 368790128 /nfs/dbraw/zinc/79/01/28/368790128.db2.gz BUDGSNJATOJINK-NSHDSACASA-N 2 2 240.351 -0.898 20 0 BBADLP CC[C@H]1C(=O)NCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000110679659 368790122 /nfs/dbraw/zinc/79/01/22/368790122.db2.gz BUDGSNJATOJINK-NSHDSACASA-N 2 2 240.351 -0.898 20 0 BBADLP Cc1[nH+]ccn1CC(=O)N1CC[NH+](C)CC1 ZINC000111550684 180229757 /nfs/dbraw/zinc/22/97/57/180229757.db2.gz QATHWJSVXAPRQU-UHFFFAOYSA-N 2 2 222.292 -0.034 20 0 BBADLP COCC[N@@H+](C)CC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000111826892 411181262 /nfs/dbraw/zinc/18/12/62/411181262.db2.gz QLCXQSXENFONFO-LLVKDONJSA-N 2 2 243.351 -0.177 20 0 BBADLP COCC[N@H+](C)CC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000111826892 411181258 /nfs/dbraw/zinc/18/12/58/411181258.db2.gz QLCXQSXENFONFO-LLVKDONJSA-N 2 2 243.351 -0.177 20 0 BBADLP COCC[N@@H+](C)CC[NH2+][C@H]1CCCNC(=O)C1 ZINC000111826895 488012166 /nfs/dbraw/zinc/01/21/66/488012166.db2.gz QLCXQSXENFONFO-NSHDSACASA-N 2 2 243.351 -0.177 20 0 BBADLP COCC[N@H+](C)CC[NH2+][C@H]1CCCNC(=O)C1 ZINC000111826895 488012162 /nfs/dbraw/zinc/01/21/62/488012162.db2.gz QLCXQSXENFONFO-NSHDSACASA-N 2 2 243.351 -0.177 20 0 BBADLP C[NH+](C)C[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000113512790 535945478 /nfs/dbraw/zinc/94/54/78/535945478.db2.gz IHJTXSMQLJCHPQ-JTQLQIEISA-N 2 2 249.380 -0.581 20 0 BBADLP C[NH+](C)C[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC000113512790 535945472 /nfs/dbraw/zinc/94/54/72/535945472.db2.gz IHJTXSMQLJCHPQ-JTQLQIEISA-N 2 2 249.380 -0.581 20 0 BBADLP C[NH+](C)C[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000113512792 535965582 /nfs/dbraw/zinc/96/55/82/535965582.db2.gz IHJTXSMQLJCHPQ-SNVBAGLBSA-N 2 2 249.380 -0.581 20 0 BBADLP C[NH+](C)C[C@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC000113512792 535965577 /nfs/dbraw/zinc/96/55/77/535965577.db2.gz IHJTXSMQLJCHPQ-SNVBAGLBSA-N 2 2 249.380 -0.581 20 0 BBADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000113513040 535944831 /nfs/dbraw/zinc/94/48/31/535944831.db2.gz BIRMWZXRBQRXLG-QMMMGPOBSA-N 2 2 228.296 -0.935 20 0 BBADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC000113513040 535944827 /nfs/dbraw/zinc/94/48/27/535944827.db2.gz BIRMWZXRBQRXLG-QMMMGPOBSA-N 2 2 228.296 -0.935 20 0 BBADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000113513041 535964874 /nfs/dbraw/zinc/96/48/74/535964874.db2.gz BIRMWZXRBQRXLG-MRVPVSSYSA-N 2 2 228.296 -0.935 20 0 BBADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC000113513041 535964870 /nfs/dbraw/zinc/96/48/70/535964870.db2.gz BIRMWZXRBQRXLG-MRVPVSSYSA-N 2 2 228.296 -0.935 20 0 BBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113515508 136216706 /nfs/dbraw/zinc/21/67/06/136216706.db2.gz DOOFBGWTRKNTCY-SECBINFHSA-N 2 2 242.323 -0.675 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113515508 136216705 /nfs/dbraw/zinc/21/67/05/136216705.db2.gz DOOFBGWTRKNTCY-SECBINFHSA-N 2 2 242.323 -0.675 20 0 BBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113515510 136216898 /nfs/dbraw/zinc/21/68/98/136216898.db2.gz DOOFBGWTRKNTCY-VIFPVBQESA-N 2 2 242.323 -0.675 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113515510 136216897 /nfs/dbraw/zinc/21/68/97/136216897.db2.gz DOOFBGWTRKNTCY-VIFPVBQESA-N 2 2 242.323 -0.675 20 0 BBADLP CN(C)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113515553 355251866 /nfs/dbraw/zinc/25/18/66/355251866.db2.gz MVNCGHPOTZEYIX-JTQLQIEISA-N 2 2 213.325 -0.042 20 0 BBADLP CN(C)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113515553 355251865 /nfs/dbraw/zinc/25/18/65/355251865.db2.gz MVNCGHPOTZEYIX-JTQLQIEISA-N 2 2 213.325 -0.042 20 0 BBADLP CN(C)C(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113515555 355252299 /nfs/dbraw/zinc/25/22/99/355252299.db2.gz MVNCGHPOTZEYIX-SNVBAGLBSA-N 2 2 213.325 -0.042 20 0 BBADLP CN(C)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113515555 355252294 /nfs/dbraw/zinc/25/22/94/355252294.db2.gz MVNCGHPOTZEYIX-SNVBAGLBSA-N 2 2 213.325 -0.042 20 0 BBADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199231 136217330 /nfs/dbraw/zinc/21/73/30/136217330.db2.gz YIHDWMSYHPOYNF-DTWKUNHWSA-N 2 2 242.323 -0.547 20 0 BBADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199231 136217329 /nfs/dbraw/zinc/21/73/29/136217329.db2.gz YIHDWMSYHPOYNF-DTWKUNHWSA-N 2 2 242.323 -0.547 20 0 BBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199233 136217347 /nfs/dbraw/zinc/21/73/47/136217347.db2.gz YIHDWMSYHPOYNF-RKDXNWHRSA-N 2 2 242.323 -0.547 20 0 BBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199233 136217346 /nfs/dbraw/zinc/21/73/46/136217346.db2.gz YIHDWMSYHPOYNF-RKDXNWHRSA-N 2 2 242.323 -0.547 20 0 BBADLP C[NH+](CC(=O)NC(N)=O)C[C@H]1CCC[N@@H+](C)C1 ZINC000118843192 173039057 /nfs/dbraw/zinc/03/90/57/173039057.db2.gz SERDTQPKWMCSDP-VIFPVBQESA-N 2 2 242.323 -0.545 20 0 BBADLP C[NH+](CC(=O)NC(N)=O)C[C@H]1CCC[N@H+](C)C1 ZINC000118843192 173039056 /nfs/dbraw/zinc/03/90/56/173039056.db2.gz SERDTQPKWMCSDP-VIFPVBQESA-N 2 2 242.323 -0.545 20 0 BBADLP C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCC[NH+](C)C1 ZINC000118843192 173039054 /nfs/dbraw/zinc/03/90/54/173039054.db2.gz SERDTQPKWMCSDP-VIFPVBQESA-N 2 2 242.323 -0.545 20 0 BBADLP C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCC[NH+](C)C1 ZINC000118843192 173039051 /nfs/dbraw/zinc/03/90/51/173039051.db2.gz SERDTQPKWMCSDP-VIFPVBQESA-N 2 2 242.323 -0.545 20 0 BBADLP C[NH+](CC(=O)NC(N)=O)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843195 387076755 /nfs/dbraw/zinc/07/67/55/387076755.db2.gz SERDTQPKWMCSDP-SECBINFHSA-N 2 2 242.323 -0.545 20 0 BBADLP C[NH+](CC(=O)NC(N)=O)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843195 387076749 /nfs/dbraw/zinc/07/67/49/387076749.db2.gz SERDTQPKWMCSDP-SECBINFHSA-N 2 2 242.323 -0.545 20 0 BBADLP C[N@H+](CC(=O)NC(N)=O)C[C@@H]1CCC[NH+](C)C1 ZINC000118843195 387076746 /nfs/dbraw/zinc/07/67/46/387076746.db2.gz SERDTQPKWMCSDP-SECBINFHSA-N 2 2 242.323 -0.545 20 0 BBADLP C[N@@H+](CC(=O)NC(N)=O)C[C@@H]1CCC[NH+](C)C1 ZINC000118843195 387076737 /nfs/dbraw/zinc/07/67/37/387076737.db2.gz SERDTQPKWMCSDP-SECBINFHSA-N 2 2 242.323 -0.545 20 0 BBADLP C[C@H](CO)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000120617279 491099438 /nfs/dbraw/zinc/09/94/38/491099438.db2.gz IKBMPLPZOUBKES-NSHDSACASA-N 2 2 243.351 -0.679 20 0 BBADLP C[C@@H](CO)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000120617424 491099515 /nfs/dbraw/zinc/09/95/15/491099515.db2.gz IKBMPLPZOUBKES-LLVKDONJSA-N 2 2 243.351 -0.679 20 0 BBADLP C[NH+]1CCN(C(=O)C[NH+]2CCSCC2)CC1 ZINC000120699041 173067597 /nfs/dbraw/zinc/06/75/97/173067597.db2.gz GPSXUVMHZNMALO-UHFFFAOYSA-N 2 2 243.376 -0.191 20 0 BBADLP C[N@H+]1CCN(C(=O)[C@@H]2CCCOC2)[C@H](C[NH3+])C1 ZINC000120758902 343131702 /nfs/dbraw/zinc/13/17/02/343131702.db2.gz WLZREQCFNBBATA-GHMZBOCLSA-N 2 2 241.335 -0.486 20 0 BBADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCCOC2)[C@H](C[NH3+])C1 ZINC000120758902 343131699 /nfs/dbraw/zinc/13/16/99/343131699.db2.gz WLZREQCFNBBATA-GHMZBOCLSA-N 2 2 241.335 -0.486 20 0 BBADLP C[N@H+]1CCN(C(=O)[C@@H]2CCCOC2)[C@@H](C[NH3+])C1 ZINC000120759048 343131556 /nfs/dbraw/zinc/13/15/56/343131556.db2.gz WLZREQCFNBBATA-MNOVXSKESA-N 2 2 241.335 -0.486 20 0 BBADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCCOC2)[C@@H](C[NH3+])C1 ZINC000120759048 343131555 /nfs/dbraw/zinc/13/15/55/343131555.db2.gz WLZREQCFNBBATA-MNOVXSKESA-N 2 2 241.335 -0.486 20 0 BBADLP COCCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000120841026 174216829 /nfs/dbraw/zinc/21/68/29/174216829.db2.gz HQFMCRCZKMBQJZ-UHFFFAOYSA-N 2 2 243.351 -0.271 20 0 BBADLP COCCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000120841026 174216827 /nfs/dbraw/zinc/21/68/27/174216827.db2.gz HQFMCRCZKMBQJZ-UHFFFAOYSA-N 2 2 243.351 -0.271 20 0 BBADLP [NH3+]CC[N@H+](Cc1ccccc1)C[C@H](O)CO ZINC000121987714 490115969 /nfs/dbraw/zinc/11/59/69/490115969.db2.gz BSPVKJFKHUSDAQ-LBPRGKRZSA-N 2 2 224.304 -0.200 20 0 BBADLP [NH3+]CC[N@@H+](Cc1ccccc1)C[C@H](O)CO ZINC000121987714 490115963 /nfs/dbraw/zinc/11/59/63/490115963.db2.gz BSPVKJFKHUSDAQ-LBPRGKRZSA-N 2 2 224.304 -0.200 20 0 BBADLP [NH3+]CC[N@H+](Cc1ccccc1)C[C@@H](O)CO ZINC000121987925 490115569 /nfs/dbraw/zinc/11/55/69/490115569.db2.gz BSPVKJFKHUSDAQ-GFCCVEGCSA-N 2 2 224.304 -0.200 20 0 BBADLP [NH3+]CC[N@@H+](Cc1ccccc1)C[C@@H](O)CO ZINC000121987925 490115562 /nfs/dbraw/zinc/11/55/62/490115562.db2.gz BSPVKJFKHUSDAQ-GFCCVEGCSA-N 2 2 224.304 -0.200 20 0 BBADLP C[N@H+]1CCN(C(=O)Cc2ccncc2)[C@H](C[NH3+])C1 ZINC000122563798 343160461 /nfs/dbraw/zinc/16/04/61/343160461.db2.gz RAEOLQQPOOPLRW-GFCCVEGCSA-N 2 2 248.330 -0.275 20 0 BBADLP C[N@@H+]1CCN(C(=O)Cc2ccncc2)[C@H](C[NH3+])C1 ZINC000122563798 343160459 /nfs/dbraw/zinc/16/04/59/343160459.db2.gz RAEOLQQPOOPLRW-GFCCVEGCSA-N 2 2 248.330 -0.275 20 0 BBADLP C[N@H+]1CCN(C(=O)Cc2ccncc2)[C@@H](C[NH3+])C1 ZINC000122564031 343160415 /nfs/dbraw/zinc/16/04/15/343160415.db2.gz RAEOLQQPOOPLRW-LBPRGKRZSA-N 2 2 248.330 -0.275 20 0 BBADLP C[N@@H+]1CCN(C(=O)Cc2ccncc2)[C@@H](C[NH3+])C1 ZINC000122564031 343160414 /nfs/dbraw/zinc/16/04/14/343160414.db2.gz RAEOLQQPOOPLRW-LBPRGKRZSA-N 2 2 248.330 -0.275 20 0 BBADLP C[N@@H+]1CCN(C(=O)C[C@@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000122569340 324049191 /nfs/dbraw/zinc/04/91/91/324049191.db2.gz ZRUWOLLOJDKJJV-MNOVXSKESA-N 2 2 241.335 -0.343 20 0 BBADLP C[N@@H+]1CCN(C(=O)C[C@@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000122569531 324049714 /nfs/dbraw/zinc/04/97/14/324049714.db2.gz ZRUWOLLOJDKJJV-QWRGUYRKSA-N 2 2 241.335 -0.343 20 0 BBADLP COC[C@@H](C)CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000122594054 343160451 /nfs/dbraw/zinc/16/04/51/343160451.db2.gz DTCLXNKYEYDDCW-QWRGUYRKSA-N 2 2 243.351 -0.240 20 0 BBADLP COC[C@@H](C)CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000122594054 343160449 /nfs/dbraw/zinc/16/04/49/343160449.db2.gz DTCLXNKYEYDDCW-QWRGUYRKSA-N 2 2 243.351 -0.240 20 0 BBADLP COC[C@H](C)CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000122594254 343160358 /nfs/dbraw/zinc/16/03/58/343160358.db2.gz DTCLXNKYEYDDCW-MNOVXSKESA-N 2 2 243.351 -0.240 20 0 BBADLP COC[C@H](C)CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000122594254 343160356 /nfs/dbraw/zinc/16/03/56/343160356.db2.gz DTCLXNKYEYDDCW-MNOVXSKESA-N 2 2 243.351 -0.240 20 0 BBADLP CCOCCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000122595799 411434571 /nfs/dbraw/zinc/43/45/71/411434571.db2.gz HKVGKCCVUBQIIL-NSHDSACASA-N 2 2 243.351 -0.096 20 0 BBADLP CCOCCCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000122595799 411434568 /nfs/dbraw/zinc/43/45/68/411434568.db2.gz HKVGKCCVUBQIIL-NSHDSACASA-N 2 2 243.351 -0.096 20 0 BBADLP CCOCCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000122596031 411434545 /nfs/dbraw/zinc/43/45/45/411434545.db2.gz HKVGKCCVUBQIIL-LLVKDONJSA-N 2 2 243.351 -0.096 20 0 BBADLP CCOCCCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000122596031 411434544 /nfs/dbraw/zinc/43/45/44/411434544.db2.gz HKVGKCCVUBQIIL-LLVKDONJSA-N 2 2 243.351 -0.096 20 0 BBADLP C[N@H+]1CCN(C(=O)C2CCOCC2)[C@H](C[NH3+])C1 ZINC000122618301 343160112 /nfs/dbraw/zinc/16/01/12/343160112.db2.gz USWOXEUUBDWEPO-LLVKDONJSA-N 2 2 241.335 -0.486 20 0 BBADLP C[N@@H+]1CCN(C(=O)C2CCOCC2)[C@H](C[NH3+])C1 ZINC000122618301 343160109 /nfs/dbraw/zinc/16/01/09/343160109.db2.gz USWOXEUUBDWEPO-LLVKDONJSA-N 2 2 241.335 -0.486 20 0 BBADLP C[N@H+]1CCN(C(=O)C2CCOCC2)[C@@H](C[NH3+])C1 ZINC000122618533 343160209 /nfs/dbraw/zinc/16/02/09/343160209.db2.gz USWOXEUUBDWEPO-NSHDSACASA-N 2 2 241.335 -0.486 20 0 BBADLP C[N@@H+]1CCN(C(=O)C2CCOCC2)[C@@H](C[NH3+])C1 ZINC000122618533 343160207 /nfs/dbraw/zinc/16/02/07/343160207.db2.gz USWOXEUUBDWEPO-NSHDSACASA-N 2 2 241.335 -0.486 20 0 BBADLP C[N@H+]1CCN(C(=O)Cc2cccnc2)[C@H](C[NH3+])C1 ZINC000122639964 411434640 /nfs/dbraw/zinc/43/46/40/411434640.db2.gz FWAHEEOUTAKXBZ-GFCCVEGCSA-N 2 2 248.330 -0.275 20 0 BBADLP C[N@@H+]1CCN(C(=O)Cc2cccnc2)[C@H](C[NH3+])C1 ZINC000122639964 411434636 /nfs/dbraw/zinc/43/46/36/411434636.db2.gz FWAHEEOUTAKXBZ-GFCCVEGCSA-N 2 2 248.330 -0.275 20 0 BBADLP C[N@H+]1CCN(C(=O)Cc2cccnc2)[C@@H](C[NH3+])C1 ZINC000122640190 411434072 /nfs/dbraw/zinc/43/40/72/411434072.db2.gz FWAHEEOUTAKXBZ-LBPRGKRZSA-N 2 2 248.330 -0.275 20 0 BBADLP C[N@@H+]1CCN(C(=O)Cc2cccnc2)[C@@H](C[NH3+])C1 ZINC000122640190 411434069 /nfs/dbraw/zinc/43/40/69/411434069.db2.gz FWAHEEOUTAKXBZ-LBPRGKRZSA-N 2 2 248.330 -0.275 20 0 BBADLP C[N@H+]1CCN(C(=O)N2CCOCC2)[C@H](C[NH3+])C1 ZINC000122670924 411434515 /nfs/dbraw/zinc/43/45/15/411434515.db2.gz CTOVRPWRRQYTBH-SNVBAGLBSA-N 2 2 242.323 -0.987 20 0 BBADLP C[N@@H+]1CCN(C(=O)N2CCOCC2)[C@H](C[NH3+])C1 ZINC000122670924 411434513 /nfs/dbraw/zinc/43/45/13/411434513.db2.gz CTOVRPWRRQYTBH-SNVBAGLBSA-N 2 2 242.323 -0.987 20 0 BBADLP C[N@H+]1CCN(C(=O)N2CCOCC2)[C@@H](C[NH3+])C1 ZINC000122671162 411434376 /nfs/dbraw/zinc/43/43/76/411434376.db2.gz CTOVRPWRRQYTBH-JTQLQIEISA-N 2 2 242.323 -0.987 20 0 BBADLP C[N@@H+]1CCN(C(=O)N2CCOCC2)[C@@H](C[NH3+])C1 ZINC000122671162 411434374 /nfs/dbraw/zinc/43/43/74/411434374.db2.gz CTOVRPWRRQYTBH-JTQLQIEISA-N 2 2 242.323 -0.987 20 0 BBADLP CCn1cc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000122757134 343161057 /nfs/dbraw/zinc/16/10/57/343161057.db2.gz YFADSAJXAHFHSI-LBPRGKRZSA-N 2 2 237.351 -0.022 20 0 BBADLP CCn1cc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000122757134 343161054 /nfs/dbraw/zinc/16/10/54/343161054.db2.gz YFADSAJXAHFHSI-LBPRGKRZSA-N 2 2 237.351 -0.022 20 0 BBADLP CCn1ccnc1CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000122780649 343161189 /nfs/dbraw/zinc/16/11/89/343161189.db2.gz RBVWETWIWSUIEB-NSHDSACASA-N 2 2 237.351 -0.022 20 0 BBADLP CCn1ccnc1CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000122780649 343161187 /nfs/dbraw/zinc/16/11/87/343161187.db2.gz RBVWETWIWSUIEB-NSHDSACASA-N 2 2 237.351 -0.022 20 0 BBADLP CC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC)CC[C@@H]1[NH3+] ZINC000122874482 366335067 /nfs/dbraw/zinc/33/50/67/366335067.db2.gz FJPCXSCGMCEIMT-BDAKNGLRSA-N 2 2 242.323 -0.499 20 0 BBADLP CC[C@@H]1C[N@H+](CC(=O)NC(=O)NC)CC[C@@H]1[NH3+] ZINC000122874482 366335063 /nfs/dbraw/zinc/33/50/63/366335063.db2.gz FJPCXSCGMCEIMT-BDAKNGLRSA-N 2 2 242.323 -0.499 20 0 BBADLP CC[C@H]1C[N@@H+](CC(=O)NC(=O)NC)CC[C@@H]1[NH3+] ZINC000122874711 366334960 /nfs/dbraw/zinc/33/49/60/366334960.db2.gz FJPCXSCGMCEIMT-IUCAKERBSA-N 2 2 242.323 -0.499 20 0 BBADLP CC[C@H]1C[N@H+](CC(=O)NC(=O)NC)CC[C@@H]1[NH3+] ZINC000122874711 366334955 /nfs/dbraw/zinc/33/49/55/366334955.db2.gz FJPCXSCGMCEIMT-IUCAKERBSA-N 2 2 242.323 -0.499 20 0 BBADLP C[N@@H+](CCC[NH3+])CC(=O)NC(=O)NC(C)(C)C ZINC000123273833 369652196 /nfs/dbraw/zinc/65/21/96/369652196.db2.gz BUPCBOPSJZLMFW-UHFFFAOYSA-N 2 2 244.339 -0.109 20 0 BBADLP C[N@H+](CCC[NH3+])CC(=O)NC(=O)NC(C)(C)C ZINC000123273833 369652192 /nfs/dbraw/zinc/65/21/92/369652192.db2.gz BUPCBOPSJZLMFW-UHFFFAOYSA-N 2 2 244.339 -0.109 20 0 BBADLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NC(N)=O)CC[NH+]1C ZINC000123290016 191141241 /nfs/dbraw/zinc/14/12/41/191141241.db2.gz RCGZERDGACQOMR-RKDXNWHRSA-N 2 2 242.323 -0.404 20 0 BBADLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NC(N)=O)CC[NH+]1C ZINC000123290016 191141240 /nfs/dbraw/zinc/14/12/40/191141240.db2.gz RCGZERDGACQOMR-RKDXNWHRSA-N 2 2 242.323 -0.404 20 0 BBADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NC(N)=O)CC[N@H+]1C ZINC000123290016 191141237 /nfs/dbraw/zinc/14/12/37/191141237.db2.gz RCGZERDGACQOMR-RKDXNWHRSA-N 2 2 242.323 -0.404 20 0 BBADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NC(N)=O)CC[N@@H+]1C ZINC000123290016 191141236 /nfs/dbraw/zinc/14/12/36/191141236.db2.gz RCGZERDGACQOMR-RKDXNWHRSA-N 2 2 242.323 -0.404 20 0 BBADLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)NC(N)=O)CC[NH+]1C ZINC000123290214 191141134 /nfs/dbraw/zinc/14/11/34/191141134.db2.gz RCGZERDGACQOMR-DTWKUNHWSA-N 2 2 242.323 -0.404 20 0 BBADLP C[C@H]1C[C@H]([N@H+](C)CC(=O)NC(N)=O)CC[NH+]1C ZINC000123290214 191141132 /nfs/dbraw/zinc/14/11/32/191141132.db2.gz RCGZERDGACQOMR-DTWKUNHWSA-N 2 2 242.323 -0.404 20 0 BBADLP C[C@H]1C[C@H]([NH+](C)CC(=O)NC(N)=O)CC[N@H+]1C ZINC000123290214 191141129 /nfs/dbraw/zinc/14/11/29/191141129.db2.gz RCGZERDGACQOMR-DTWKUNHWSA-N 2 2 242.323 -0.404 20 0 BBADLP C[C@H]1C[C@H]([NH+](C)CC(=O)NC(N)=O)CC[N@@H+]1C ZINC000123290214 191141126 /nfs/dbraw/zinc/14/11/26/191141126.db2.gz RCGZERDGACQOMR-DTWKUNHWSA-N 2 2 242.323 -0.404 20 0 BBADLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NC(N)=O)CC[NH+]1C ZINC000123290400 191141216 /nfs/dbraw/zinc/14/12/16/191141216.db2.gz RCGZERDGACQOMR-BDAKNGLRSA-N 2 2 242.323 -0.404 20 0 BBADLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NC(N)=O)CC[NH+]1C ZINC000123290400 191141213 /nfs/dbraw/zinc/14/12/13/191141213.db2.gz RCGZERDGACQOMR-BDAKNGLRSA-N 2 2 242.323 -0.404 20 0 BBADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC(N)=O)CC[N@H+]1C ZINC000123290400 191141212 /nfs/dbraw/zinc/14/12/12/191141212.db2.gz RCGZERDGACQOMR-BDAKNGLRSA-N 2 2 242.323 -0.404 20 0 BBADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC(N)=O)CC[N@@H+]1C ZINC000123290400 191141209 /nfs/dbraw/zinc/14/12/09/191141209.db2.gz RCGZERDGACQOMR-BDAKNGLRSA-N 2 2 242.323 -0.404 20 0 BBADLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NC(N)=O)CC[NH+]1C ZINC000123290643 191141157 /nfs/dbraw/zinc/14/11/57/191141157.db2.gz RCGZERDGACQOMR-IUCAKERBSA-N 2 2 242.323 -0.404 20 0 BBADLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NC(N)=O)CC[NH+]1C ZINC000123290643 191141155 /nfs/dbraw/zinc/14/11/55/191141155.db2.gz RCGZERDGACQOMR-IUCAKERBSA-N 2 2 242.323 -0.404 20 0 BBADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NC(N)=O)CC[N@H+]1C ZINC000123290643 191141152 /nfs/dbraw/zinc/14/11/52/191141152.db2.gz RCGZERDGACQOMR-IUCAKERBSA-N 2 2 242.323 -0.404 20 0 BBADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NC(N)=O)CC[N@@H+]1C ZINC000123290643 191141150 /nfs/dbraw/zinc/14/11/50/191141150.db2.gz RCGZERDGACQOMR-IUCAKERBSA-N 2 2 242.323 -0.404 20 0 BBADLP CC(C)CNC(=O)NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000123300956 369997044 /nfs/dbraw/zinc/99/70/44/369997044.db2.gz KCSBKPXVUNKNOC-UHFFFAOYSA-N 2 2 244.339 -0.251 20 0 BBADLP CC(C)CNC(=O)NC(=O)C[N@H+](C)CCC[NH3+] ZINC000123300956 369997036 /nfs/dbraw/zinc/99/70/36/369997036.db2.gz KCSBKPXVUNKNOC-UHFFFAOYSA-N 2 2 244.339 -0.251 20 0 BBADLP CCCCNC(=O)NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000123348669 371066840 /nfs/dbraw/zinc/06/68/40/371066840.db2.gz XFNZLIODOYUFCE-UHFFFAOYSA-N 2 2 244.339 -0.107 20 0 BBADLP CCCCNC(=O)NC(=O)C[N@H+](C)CCC[NH3+] ZINC000123348669 371066835 /nfs/dbraw/zinc/06/68/35/371066835.db2.gz XFNZLIODOYUFCE-UHFFFAOYSA-N 2 2 244.339 -0.107 20 0 BBADLP NC(=O)NC(=O)CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000123485144 181252751 /nfs/dbraw/zinc/25/27/51/181252751.db2.gz WMFABYPSUBNWOV-BDAKNGLRSA-N 2 2 240.307 -0.602 20 0 BBADLP NC(=O)NC(=O)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000123485144 181252749 /nfs/dbraw/zinc/25/27/49/181252749.db2.gz WMFABYPSUBNWOV-BDAKNGLRSA-N 2 2 240.307 -0.602 20 0 BBADLP CNC(=O)NC(=O)CC[N@H+]1CCC[C@H]1C[NH2+]C ZINC000123578810 173368849 /nfs/dbraw/zinc/36/88/49/173368849.db2.gz GXRHRDLZPWGZRG-VIFPVBQESA-N 2 2 242.323 -0.484 20 0 BBADLP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H]1C[NH2+]C ZINC000123578810 173368848 /nfs/dbraw/zinc/36/88/48/173368848.db2.gz GXRHRDLZPWGZRG-VIFPVBQESA-N 2 2 242.323 -0.484 20 0 BBADLP CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H]1C[NH2+]C ZINC000123579066 173380047 /nfs/dbraw/zinc/38/00/47/173380047.db2.gz GXRHRDLZPWGZRG-SECBINFHSA-N 2 2 242.323 -0.484 20 0 BBADLP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]1C[NH2+]C ZINC000123579066 173380045 /nfs/dbraw/zinc/38/00/45/173380045.db2.gz GXRHRDLZPWGZRG-SECBINFHSA-N 2 2 242.323 -0.484 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000123667516 173286566 /nfs/dbraw/zinc/28/65/66/173286566.db2.gz SYVLASLPFFPXGW-SECBINFHSA-N 2 2 244.339 -0.253 20 0 BBADLP CNC(=O)NC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000123667516 173286565 /nfs/dbraw/zinc/28/65/65/173286565.db2.gz SYVLASLPFFPXGW-SECBINFHSA-N 2 2 244.339 -0.253 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000123667694 173286330 /nfs/dbraw/zinc/28/63/30/173286330.db2.gz SYVLASLPFFPXGW-VIFPVBQESA-N 2 2 244.339 -0.253 20 0 BBADLP CNC(=O)NC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000123667694 173286329 /nfs/dbraw/zinc/28/63/29/173286329.db2.gz SYVLASLPFFPXGW-VIFPVBQESA-N 2 2 244.339 -0.253 20 0 BBADLP C[C@H]([NH3+])[C@@H]1CN(CC[NH+]2CCOCC2)CCO1 ZINC000123843540 411175405 /nfs/dbraw/zinc/17/54/05/411175405.db2.gz FVTCZADVUKMLHW-RYUDHWBXSA-N 2 2 243.351 -0.633 20 0 BBADLP C[C@@H]([NH3+])[C@@H]1CN(CC[NH+]2CCOCC2)CCO1 ZINC000123843779 411175727 /nfs/dbraw/zinc/17/57/27/411175727.db2.gz FVTCZADVUKMLHW-NEPJUHHUSA-N 2 2 243.351 -0.633 20 0 BBADLP C[C@H]([NH3+])[C@H]1CN(CC[NH+]2CCOCC2)CCO1 ZINC000123843947 411175597 /nfs/dbraw/zinc/17/55/97/411175597.db2.gz FVTCZADVUKMLHW-NWDGAFQWSA-N 2 2 243.351 -0.633 20 0 BBADLP C[C@@H]([NH3+])[C@H]1CN(CC[NH+]2CCOCC2)CCO1 ZINC000123844042 410301455 /nfs/dbraw/zinc/30/14/55/410301455.db2.gz FVTCZADVUKMLHW-VXGBXAGGSA-N 2 2 243.351 -0.633 20 0 BBADLP Cn1ccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000123996841 343166678 /nfs/dbraw/zinc/16/66/78/343166678.db2.gz TYSKBIKDKHCQSY-NSHDSACASA-N 2 2 223.324 -0.505 20 0 BBADLP Cn1ccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000123996841 343166676 /nfs/dbraw/zinc/16/66/76/343166676.db2.gz TYSKBIKDKHCQSY-NSHDSACASA-N 2 2 223.324 -0.505 20 0 BBADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NC(N)=O ZINC000124210256 387608973 /nfs/dbraw/zinc/60/89/73/387608973.db2.gz QHLXXBOZPWCTJH-UHFFFAOYSA-N 2 2 239.279 -0.600 20 0 BBADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)NC(N)=O ZINC000124210256 387608967 /nfs/dbraw/zinc/60/89/67/387608967.db2.gz QHLXXBOZPWCTJH-UHFFFAOYSA-N 2 2 239.279 -0.600 20 0 BBADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCO)CC1 ZINC000124225665 387608577 /nfs/dbraw/zinc/60/85/77/387608577.db2.gz GKXFDILTAIKODP-UHFFFAOYSA-N 2 2 243.351 -0.535 20 0 BBADLP CC[C@@H](C(=O)NCC[NH+]1CCOCC1)[NH+](C)C ZINC000124458575 387617090 /nfs/dbraw/zinc/61/70/90/387617090.db2.gz KPSFBKFXUIFDBX-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP CC[C@H](C(=O)NCC[NH+]1CCOCC1)[NH+](C)C ZINC000124458754 171228763 /nfs/dbraw/zinc/22/87/63/171228763.db2.gz KPSFBKFXUIFDBX-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N1CCOCC1 ZINC000124567444 343163349 /nfs/dbraw/zinc/16/33/49/343163349.db2.gz BPFLOKCVKVFAOS-GHMZBOCLSA-N 2 2 241.335 -0.343 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N1CCOCC1 ZINC000124567444 343163347 /nfs/dbraw/zinc/16/33/47/343163347.db2.gz BPFLOKCVKVFAOS-GHMZBOCLSA-N 2 2 241.335 -0.343 20 0 BBADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N1CCOCC1 ZINC000124567652 343163520 /nfs/dbraw/zinc/16/35/20/343163520.db2.gz BPFLOKCVKVFAOS-WDEREUQCSA-N 2 2 241.335 -0.343 20 0 BBADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N1CCOCC1 ZINC000124567652 343163518 /nfs/dbraw/zinc/16/35/18/343163518.db2.gz BPFLOKCVKVFAOS-WDEREUQCSA-N 2 2 241.335 -0.343 20 0 BBADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N1CCOCC1 ZINC000124567892 343163625 /nfs/dbraw/zinc/16/36/25/343163625.db2.gz BPFLOKCVKVFAOS-MNOVXSKESA-N 2 2 241.335 -0.343 20 0 BBADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N1CCOCC1 ZINC000124567892 343163623 /nfs/dbraw/zinc/16/36/23/343163623.db2.gz BPFLOKCVKVFAOS-MNOVXSKESA-N 2 2 241.335 -0.343 20 0 BBADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N1CCOCC1 ZINC000124568102 343163453 /nfs/dbraw/zinc/16/34/53/343163453.db2.gz BPFLOKCVKVFAOS-QWRGUYRKSA-N 2 2 241.335 -0.343 20 0 BBADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N1CCOCC1 ZINC000124568102 343163451 /nfs/dbraw/zinc/16/34/51/343163451.db2.gz BPFLOKCVKVFAOS-QWRGUYRKSA-N 2 2 241.335 -0.343 20 0 BBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000124604589 371203656 /nfs/dbraw/zinc/20/36/56/371203656.db2.gz LLGLSIJSPVAOGB-IUCAKERBSA-N 2 2 242.323 -0.356 20 0 BBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000124604589 371203650 /nfs/dbraw/zinc/20/36/50/371203650.db2.gz LLGLSIJSPVAOGB-IUCAKERBSA-N 2 2 242.323 -0.356 20 0 BBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000124604765 371204080 /nfs/dbraw/zinc/20/40/80/371204080.db2.gz LLGLSIJSPVAOGB-DTWKUNHWSA-N 2 2 242.323 -0.356 20 0 BBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000124604765 371204076 /nfs/dbraw/zinc/20/40/76/371204076.db2.gz LLGLSIJSPVAOGB-DTWKUNHWSA-N 2 2 242.323 -0.356 20 0 BBADLP COCCOCCOCC[N@H+]1CCC[NH2+]CC1 ZINC000124895657 636701256 /nfs/dbraw/zinc/70/12/56/636701256.db2.gz OEYGMWANSUCKIR-UHFFFAOYSA-N 2 2 246.351 -0.039 20 0 BBADLP COCCOCCOCC[N@@H+]1CCC[NH2+]CC1 ZINC000124895657 636701250 /nfs/dbraw/zinc/70/12/50/636701250.db2.gz OEYGMWANSUCKIR-UHFFFAOYSA-N 2 2 246.351 -0.039 20 0 BBADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCC[NH2+]C ZINC000124943455 170078066 /nfs/dbraw/zinc/07/80/66/170078066.db2.gz XHWMSKJUFINDJU-SECBINFHSA-N 2 2 244.339 -0.238 20 0 BBADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCC[NH2+]C ZINC000124943455 170078064 /nfs/dbraw/zinc/07/80/64/170078064.db2.gz XHWMSKJUFINDJU-SECBINFHSA-N 2 2 244.339 -0.238 20 0 BBADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCC[NH2+]C ZINC000124943613 170077817 /nfs/dbraw/zinc/07/78/17/170077817.db2.gz XHWMSKJUFINDJU-VIFPVBQESA-N 2 2 244.339 -0.238 20 0 BBADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCC[NH2+]C ZINC000124943613 170077816 /nfs/dbraw/zinc/07/78/16/170077816.db2.gz XHWMSKJUFINDJU-VIFPVBQESA-N 2 2 244.339 -0.238 20 0 BBADLP C[NH2+]CCC[N@@H+](C)CC(=O)N1CCO[C@H](C)C1 ZINC000124953431 590103428 /nfs/dbraw/zinc/10/34/28/590103428.db2.gz XPYMHXVENQXKRE-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP C[NH2+]CCC[N@H+](C)CC(=O)N1CCO[C@H](C)C1 ZINC000124953431 590103424 /nfs/dbraw/zinc/10/34/24/590103424.db2.gz XPYMHXVENQXKRE-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP C[NH2+]CCC[N@@H+](C)CC(=O)N1CCO[C@@H](C)C1 ZINC000124953688 590104080 /nfs/dbraw/zinc/10/40/80/590104080.db2.gz XPYMHXVENQXKRE-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP C[NH2+]CCC[N@H+](C)CC(=O)N1CCO[C@@H](C)C1 ZINC000124953688 590104078 /nfs/dbraw/zinc/10/40/78/590104078.db2.gz XPYMHXVENQXKRE-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP CCCNC(=O)NC(=O)C[N@@H+](C)CCC[NH2+]C ZINC000124972973 169235277 /nfs/dbraw/zinc/23/52/77/169235277.db2.gz XRNNTHVJXDZZGD-UHFFFAOYSA-N 2 2 244.339 -0.237 20 0 BBADLP CCCNC(=O)NC(=O)C[N@H+](C)CCC[NH2+]C ZINC000124972973 169235275 /nfs/dbraw/zinc/23/52/75/169235275.db2.gz XRNNTHVJXDZZGD-UHFFFAOYSA-N 2 2 244.339 -0.237 20 0 BBADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000125055076 173026569 /nfs/dbraw/zinc/02/65/69/173026569.db2.gz PEWGXDRBOOMHRD-MNOVXSKESA-N 2 2 241.335 -0.343 20 0 BBADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000125055076 173026568 /nfs/dbraw/zinc/02/65/68/173026568.db2.gz PEWGXDRBOOMHRD-MNOVXSKESA-N 2 2 241.335 -0.343 20 0 BBADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCO[C@H](C(N)=O)C1 ZINC000125055076 173026565 /nfs/dbraw/zinc/02/65/65/173026565.db2.gz PEWGXDRBOOMHRD-MNOVXSKESA-N 2 2 241.335 -0.343 20 0 BBADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCO[C@H](C(N)=O)C1 ZINC000125055076 173026563 /nfs/dbraw/zinc/02/65/63/173026563.db2.gz PEWGXDRBOOMHRD-MNOVXSKESA-N 2 2 241.335 -0.343 20 0 BBADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000125055310 173054934 /nfs/dbraw/zinc/05/49/34/173054934.db2.gz PEWGXDRBOOMHRD-QWRGUYRKSA-N 2 2 241.335 -0.343 20 0 BBADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000125055310 173054931 /nfs/dbraw/zinc/05/49/31/173054931.db2.gz PEWGXDRBOOMHRD-QWRGUYRKSA-N 2 2 241.335 -0.343 20 0 BBADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCO[C@H](C(N)=O)C1 ZINC000125055310 173054929 /nfs/dbraw/zinc/05/49/29/173054929.db2.gz PEWGXDRBOOMHRD-QWRGUYRKSA-N 2 2 241.335 -0.343 20 0 BBADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCO[C@H](C(N)=O)C1 ZINC000125055310 173054927 /nfs/dbraw/zinc/05/49/27/173054927.db2.gz PEWGXDRBOOMHRD-QWRGUYRKSA-N 2 2 241.335 -0.343 20 0 BBADLP C[N@@H+](C[C@@H]1CCOC1)C[C@@H]1C[NH2+]CCO1 ZINC000125348911 490428562 /nfs/dbraw/zinc/42/85/62/490428562.db2.gz GPOHNNFHJHKTQB-QWRGUYRKSA-N 2 2 214.309 -0.057 20 0 BBADLP C[N@H+](C[C@@H]1CCOC1)C[C@@H]1C[NH2+]CCO1 ZINC000125348911 490428560 /nfs/dbraw/zinc/42/85/60/490428560.db2.gz GPOHNNFHJHKTQB-QWRGUYRKSA-N 2 2 214.309 -0.057 20 0 BBADLP C[N@@H+](C[C@H]1CCOC1)C[C@@H]1C[NH2+]CCO1 ZINC000125349186 490429417 /nfs/dbraw/zinc/42/94/17/490429417.db2.gz GPOHNNFHJHKTQB-MNOVXSKESA-N 2 2 214.309 -0.057 20 0 BBADLP C[N@H+](C[C@H]1CCOC1)C[C@@H]1C[NH2+]CCO1 ZINC000125349186 490429416 /nfs/dbraw/zinc/42/94/16/490429416.db2.gz GPOHNNFHJHKTQB-MNOVXSKESA-N 2 2 214.309 -0.057 20 0 BBADLP Cn1nccc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000125901857 386918196 /nfs/dbraw/zinc/91/81/96/386918196.db2.gz OCBFBYBBQXHFFH-LLVKDONJSA-N 2 2 226.324 -0.178 20 0 BBADLP Cn1nccc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000125902109 172491480 /nfs/dbraw/zinc/49/14/80/172491480.db2.gz OCBFBYBBQXHFFH-NSHDSACASA-N 2 2 226.324 -0.178 20 0 BBADLP Cn1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cn1 ZINC000125913537 384760146 /nfs/dbraw/zinc/76/01/46/384760146.db2.gz MESJHADXKNBSGS-LLVKDONJSA-N 2 2 226.324 -0.178 20 0 BBADLP Cn1cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cn1 ZINC000125913803 384760002 /nfs/dbraw/zinc/76/00/02/384760002.db2.gz MESJHADXKNBSGS-NSHDSACASA-N 2 2 226.324 -0.178 20 0 BBADLP C[N@@H+](CCn1cccn1)C[C@@H]1C[NH2+]CCO1 ZINC000126620647 490510430 /nfs/dbraw/zinc/51/04/30/490510430.db2.gz LBDLSLFWZQEQDI-NSHDSACASA-N 2 2 224.308 -0.197 20 0 BBADLP C[N@H+](CCn1cccn1)C[C@@H]1C[NH2+]CCO1 ZINC000126620647 490510425 /nfs/dbraw/zinc/51/04/25/490510425.db2.gz LBDLSLFWZQEQDI-NSHDSACASA-N 2 2 224.308 -0.197 20 0 BBADLP C[N@@H+](CCn1cccn1)C[C@H]1C[NH2+]CCO1 ZINC000126620911 490510517 /nfs/dbraw/zinc/51/05/17/490510517.db2.gz LBDLSLFWZQEQDI-LLVKDONJSA-N 2 2 224.308 -0.197 20 0 BBADLP C[N@H+](CCn1cccn1)C[C@H]1C[NH2+]CCO1 ZINC000126620911 490510510 /nfs/dbraw/zinc/51/05/10/490510510.db2.gz LBDLSLFWZQEQDI-LLVKDONJSA-N 2 2 224.308 -0.197 20 0 BBADLP CN(CC[NH+]1CCOCC1)C[C@@H]1C[NH2+]CCO1 ZINC000126654639 490511626 /nfs/dbraw/zinc/51/16/26/490511626.db2.gz HIKWKDVGDWHMPI-LBPRGKRZSA-N 2 2 243.351 -0.761 20 0 BBADLP CN(CC[NH+]1CCOCC1)C[C@H]1C[NH2+]CCO1 ZINC000126654892 490511423 /nfs/dbraw/zinc/51/14/23/490511423.db2.gz HIKWKDVGDWHMPI-GFCCVEGCSA-N 2 2 243.351 -0.761 20 0 BBADLP C[C@@H]1CN(C(=O)C[N@@H+](C)CCC[NH3+])C[C@H](C)O1 ZINC000126680726 411451449 /nfs/dbraw/zinc/45/14/49/411451449.db2.gz OPSODOVZZFDUTQ-PHIMTYICSA-N 2 2 243.351 -0.097 20 0 BBADLP C[C@@H]1CN(C(=O)C[N@H+](C)CCC[NH3+])C[C@H](C)O1 ZINC000126680726 411451444 /nfs/dbraw/zinc/45/14/44/411451444.db2.gz OPSODOVZZFDUTQ-PHIMTYICSA-N 2 2 243.351 -0.097 20 0 BBADLP C[C@H]1CN(C(=O)C[N@@H+](C)CCC[NH3+])C[C@H](C)O1 ZINC000126680942 411452101 /nfs/dbraw/zinc/45/21/01/411452101.db2.gz OPSODOVZZFDUTQ-QWRGUYRKSA-N 2 2 243.351 -0.097 20 0 BBADLP C[C@H]1CN(C(=O)C[N@H+](C)CCC[NH3+])C[C@H](C)O1 ZINC000126680942 411452098 /nfs/dbraw/zinc/45/20/98/411452098.db2.gz OPSODOVZZFDUTQ-QWRGUYRKSA-N 2 2 243.351 -0.097 20 0 BBADLP C[C@@H]1CN(C(=O)C[N@@H+](C)CCC[NH3+])C[C@@H](C)O1 ZINC000126681152 410325570 /nfs/dbraw/zinc/32/55/70/410325570.db2.gz OPSODOVZZFDUTQ-GHMZBOCLSA-N 2 2 243.351 -0.097 20 0 BBADLP C[C@@H]1CN(C(=O)C[N@H+](C)CCC[NH3+])C[C@@H](C)O1 ZINC000126681152 410325567 /nfs/dbraw/zinc/32/55/67/410325567.db2.gz OPSODOVZZFDUTQ-GHMZBOCLSA-N 2 2 243.351 -0.097 20 0 BBADLP C[N@H+](CCN1CCOCC1)[C@@H](C[NH3+])C1CC1 ZINC000126729012 387050425 /nfs/dbraw/zinc/05/04/25/387050425.db2.gz MCHKXIOZYOOHRJ-LBPRGKRZSA-N 2 2 227.352 -0.012 20 0 BBADLP C[N@H+](CCN1CCOCC1)[C@H](C[NH3+])C1CC1 ZINC000126729203 387050120 /nfs/dbraw/zinc/05/01/20/387050120.db2.gz MCHKXIOZYOOHRJ-GFCCVEGCSA-N 2 2 227.352 -0.012 20 0 BBADLP COC(=O)[C@@H](C)C[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000126746714 344084716 /nfs/dbraw/zinc/08/47/16/344084716.db2.gz MMPDDQXISHGQFV-UWVGGRQHSA-N 2 2 230.308 -0.284 20 0 BBADLP COC(=O)[C@@H](C)C[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000126746714 344084713 /nfs/dbraw/zinc/08/47/13/344084713.db2.gz MMPDDQXISHGQFV-UWVGGRQHSA-N 2 2 230.308 -0.284 20 0 BBADLP COC(=O)[C@H](C)C[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000126746983 344085334 /nfs/dbraw/zinc/08/53/34/344085334.db2.gz MMPDDQXISHGQFV-ZJUUUORDSA-N 2 2 230.308 -0.284 20 0 BBADLP COC(=O)[C@H](C)C[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000126746983 344085330 /nfs/dbraw/zinc/08/53/30/344085330.db2.gz MMPDDQXISHGQFV-ZJUUUORDSA-N 2 2 230.308 -0.284 20 0 BBADLP CC(=O)NCC[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000126754547 490515409 /nfs/dbraw/zinc/51/54/09/490515409.db2.gz IAJYUPOARQEXEJ-JTQLQIEISA-N 2 2 215.297 -0.957 20 0 BBADLP CC(=O)NCC[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000126754547 490515404 /nfs/dbraw/zinc/51/54/04/490515404.db2.gz IAJYUPOARQEXEJ-JTQLQIEISA-N 2 2 215.297 -0.957 20 0 BBADLP CC(=O)NCC[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000126754785 490515383 /nfs/dbraw/zinc/51/53/83/490515383.db2.gz IAJYUPOARQEXEJ-SNVBAGLBSA-N 2 2 215.297 -0.957 20 0 BBADLP CC(=O)NCC[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000126754785 490515378 /nfs/dbraw/zinc/51/53/78/490515378.db2.gz IAJYUPOARQEXEJ-SNVBAGLBSA-N 2 2 215.297 -0.957 20 0 BBADLP CNC(=O)CCC[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000126831576 490519985 /nfs/dbraw/zinc/51/99/85/490519985.db2.gz BLMOFJSMSVJECY-JTQLQIEISA-N 2 2 229.324 -0.567 20 0 BBADLP CNC(=O)CCC[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000126831576 490519981 /nfs/dbraw/zinc/51/99/81/490519981.db2.gz BLMOFJSMSVJECY-JTQLQIEISA-N 2 2 229.324 -0.567 20 0 BBADLP CNC(=O)CCC[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000126831809 490520323 /nfs/dbraw/zinc/52/03/23/490520323.db2.gz BLMOFJSMSVJECY-SNVBAGLBSA-N 2 2 229.324 -0.567 20 0 BBADLP CNC(=O)CCC[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000126831809 490520316 /nfs/dbraw/zinc/52/03/16/490520316.db2.gz BLMOFJSMSVJECY-SNVBAGLBSA-N 2 2 229.324 -0.567 20 0 BBADLP CNC(=O)CC[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000126870788 490523354 /nfs/dbraw/zinc/52/33/54/490523354.db2.gz ALCARVWUHKHZTR-VIFPVBQESA-N 2 2 215.297 -0.957 20 0 BBADLP CNC(=O)CC[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000126870788 490523348 /nfs/dbraw/zinc/52/33/48/490523348.db2.gz ALCARVWUHKHZTR-VIFPVBQESA-N 2 2 215.297 -0.957 20 0 BBADLP CNC(=O)CC[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000126870988 490523230 /nfs/dbraw/zinc/52/32/30/490523230.db2.gz ALCARVWUHKHZTR-SECBINFHSA-N 2 2 215.297 -0.957 20 0 BBADLP CNC(=O)CC[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000126870988 490523227 /nfs/dbraw/zinc/52/32/27/490523227.db2.gz ALCARVWUHKHZTR-SECBINFHSA-N 2 2 215.297 -0.957 20 0 BBADLP C[N@@H+](C[C@@H]1C[NH2+]CCO1)[C@@H]1CCCCNC1=O ZINC000126885858 590490948 /nfs/dbraw/zinc/49/09/48/590490948.db2.gz RTBBEYXSZBQBJM-WDEREUQCSA-N 2 2 241.335 -0.425 20 0 BBADLP C[N@H+](C[C@@H]1C[NH2+]CCO1)[C@@H]1CCCCNC1=O ZINC000126885858 590490946 /nfs/dbraw/zinc/49/09/46/590490946.db2.gz RTBBEYXSZBQBJM-WDEREUQCSA-N 2 2 241.335 -0.425 20 0 BBADLP C[N@@H+](C[C@H]1C[NH2+]CCO1)[C@@H]1CCCCNC1=O ZINC000126886115 590490694 /nfs/dbraw/zinc/49/06/94/590490694.db2.gz RTBBEYXSZBQBJM-GHMZBOCLSA-N 2 2 241.335 -0.425 20 0 BBADLP C[N@H+](C[C@H]1C[NH2+]CCO1)[C@@H]1CCCCNC1=O ZINC000126886115 590490691 /nfs/dbraw/zinc/49/06/91/590490691.db2.gz RTBBEYXSZBQBJM-GHMZBOCLSA-N 2 2 241.335 -0.425 20 0 BBADLP C[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000127579556 387719120 /nfs/dbraw/zinc/71/91/20/387719120.db2.gz AHNNKHVOWWSNON-LLVKDONJSA-N 2 2 241.335 -0.473 20 0 BBADLP C[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000127579556 387719117 /nfs/dbraw/zinc/71/91/17/387719117.db2.gz AHNNKHVOWWSNON-LLVKDONJSA-N 2 2 241.335 -0.473 20 0 BBADLP C[NH+](C)CC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000127579704 387717703 /nfs/dbraw/zinc/71/77/03/387717703.db2.gz AHNNKHVOWWSNON-NSHDSACASA-N 2 2 241.335 -0.473 20 0 BBADLP C[NH+](C)CC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000127579704 387717698 /nfs/dbraw/zinc/71/76/98/387717698.db2.gz AHNNKHVOWWSNON-NSHDSACASA-N 2 2 241.335 -0.473 20 0 BBADLP C[N@H+]1CCN(C(=O)NC2CCC2)[C@H](C[NH3+])C1 ZINC000128022683 343179688 /nfs/dbraw/zinc/17/96/88/343179688.db2.gz PQNGQLKXYBEYFJ-SNVBAGLBSA-N 2 2 226.324 -0.177 20 0 BBADLP C[N@@H+]1CCN(C(=O)NC2CCC2)[C@H](C[NH3+])C1 ZINC000128022683 343179686 /nfs/dbraw/zinc/17/96/86/343179686.db2.gz PQNGQLKXYBEYFJ-SNVBAGLBSA-N 2 2 226.324 -0.177 20 0 BBADLP C[N@H+]1CCN(C(=O)NC2CCC2)[C@@H](C[NH3+])C1 ZINC000128022923 343179738 /nfs/dbraw/zinc/17/97/38/343179738.db2.gz PQNGQLKXYBEYFJ-JTQLQIEISA-N 2 2 226.324 -0.177 20 0 BBADLP C[N@@H+]1CCN(C(=O)NC2CCC2)[C@@H](C[NH3+])C1 ZINC000128022923 343179736 /nfs/dbraw/zinc/17/97/36/343179736.db2.gz PQNGQLKXYBEYFJ-JTQLQIEISA-N 2 2 226.324 -0.177 20 0 BBADLP Cc1nn(C)cc1CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000128281452 343174040 /nfs/dbraw/zinc/17/40/40/343174040.db2.gz LCIGRNDCUWOBPA-LBPRGKRZSA-N 2 2 237.351 -0.197 20 0 BBADLP Cc1nn(C)cc1CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000128281452 343174039 /nfs/dbraw/zinc/17/40/39/343174039.db2.gz LCIGRNDCUWOBPA-LBPRGKRZSA-N 2 2 237.351 -0.197 20 0 BBADLP O=C(C[C@@H]1COCC[NH2+]1)NCCn1cc[nH+]c1 ZINC000129121049 182021803 /nfs/dbraw/zinc/02/18/03/182021803.db2.gz BLUDYEYUZLHXTO-SNVBAGLBSA-N 2 2 238.291 -0.622 20 0 BBADLP O=C(C[C@H]1COCC[NH2+]1)NCCn1cc[nH+]c1 ZINC000129121279 182030938 /nfs/dbraw/zinc/03/09/38/182030938.db2.gz BLUDYEYUZLHXTO-JTQLQIEISA-N 2 2 238.291 -0.622 20 0 BBADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(N)=O)CC[C@@H]21 ZINC000129166376 173059500 /nfs/dbraw/zinc/05/95/00/173059500.db2.gz LBCSEWNYISUTCM-UWVGGRQHSA-N 2 2 211.309 -0.112 20 0 BBADLP C[NH+]1CCC[C@H]2C[N@H+](CC(N)=O)CC[C@@H]21 ZINC000129166376 173059498 /nfs/dbraw/zinc/05/94/98/173059498.db2.gz LBCSEWNYISUTCM-UWVGGRQHSA-N 2 2 211.309 -0.112 20 0 BBADLP C[N@H+]1CCC[C@H]2C[NH+](CC(N)=O)CC[C@@H]21 ZINC000129166376 173059496 /nfs/dbraw/zinc/05/94/96/173059496.db2.gz LBCSEWNYISUTCM-UWVGGRQHSA-N 2 2 211.309 -0.112 20 0 BBADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(N)=O)CC[C@@H]21 ZINC000129166376 173059493 /nfs/dbraw/zinc/05/94/93/173059493.db2.gz LBCSEWNYISUTCM-UWVGGRQHSA-N 2 2 211.309 -0.112 20 0 BBADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]21 ZINC000129166580 173035670 /nfs/dbraw/zinc/03/56/70/173035670.db2.gz LBCSEWNYISUTCM-ZJUUUORDSA-N 2 2 211.309 -0.112 20 0 BBADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]21 ZINC000129166580 173035668 /nfs/dbraw/zinc/03/56/68/173035668.db2.gz LBCSEWNYISUTCM-ZJUUUORDSA-N 2 2 211.309 -0.112 20 0 BBADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(N)=O)CC[C@@H]21 ZINC000129166580 173035666 /nfs/dbraw/zinc/03/56/66/173035666.db2.gz LBCSEWNYISUTCM-ZJUUUORDSA-N 2 2 211.309 -0.112 20 0 BBADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(N)=O)CC[C@@H]21 ZINC000129166580 173035663 /nfs/dbraw/zinc/03/56/63/173035663.db2.gz LBCSEWNYISUTCM-ZJUUUORDSA-N 2 2 211.309 -0.112 20 0 BBADLP CC[C@@H](CO)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000129225207 324929639 /nfs/dbraw/zinc/92/96/39/324929639.db2.gz BJXFHBJRLMFDCS-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP CC[C@H](CO)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000129225407 324930146 /nfs/dbraw/zinc/93/01/46/324930146.db2.gz BJXFHBJRLMFDCS-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP COCC[N@@H+](CCO)Cc1c[nH+]cn1C ZINC000129808986 388870860 /nfs/dbraw/zinc/87/08/60/388870860.db2.gz ANFVEFQPRKFTII-UHFFFAOYSA-N 2 2 213.281 -0.139 20 0 BBADLP COCC[N@H+](CCO)Cc1c[nH+]cn1C ZINC000129808986 388870859 /nfs/dbraw/zinc/87/08/59/388870859.db2.gz ANFVEFQPRKFTII-UHFFFAOYSA-N 2 2 213.281 -0.139 20 0 BBADLP C[NH+]1CCN(C(=O)c2ccnc(C[NH3+])c2)CC1 ZINC000129902076 173073670 /nfs/dbraw/zinc/07/36/70/173073670.db2.gz NUSYUYKBVKXQQF-UHFFFAOYSA-N 2 2 234.303 -0.072 20 0 BBADLP CC[C@@H]([NH3+])C(=O)N1CC[NH+](CCOC)CC1 ZINC000130286181 344129492 /nfs/dbraw/zinc/12/94/92/344129492.db2.gz WNSFHSOVQKJYLK-SNVBAGLBSA-N 2 2 229.324 -0.486 20 0 BBADLP CC[C@@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000130478622 344141569 /nfs/dbraw/zinc/14/15/69/344141569.db2.gz UIDWJIDDZKTWRG-HBNTYKKESA-N 2 2 243.351 -0.051 20 0 BBADLP CC[C@@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000130478840 344141925 /nfs/dbraw/zinc/14/19/25/344141925.db2.gz UIDWJIDDZKTWRG-GMTAPVOTSA-N 2 2 243.351 -0.051 20 0 BBADLP CC[C@@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000130479027 344142006 /nfs/dbraw/zinc/14/20/06/344142006.db2.gz UIDWJIDDZKTWRG-GARJFASQSA-N 2 2 243.351 -0.051 20 0 BBADLP CC[C@@H]([NH3+])C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000130479230 344141656 /nfs/dbraw/zinc/14/16/56/344141656.db2.gz UIDWJIDDZKTWRG-OUAUKWLOSA-N 2 2 243.351 -0.051 20 0 BBADLP COC[C@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000131527509 325161002 /nfs/dbraw/zinc/16/10/02/325161002.db2.gz RYXHWZWHUFNONZ-NSHDSACASA-N 2 2 243.351 -0.273 20 0 BBADLP COC[C@@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000131527713 325161354 /nfs/dbraw/zinc/16/13/54/325161354.db2.gz RYXHWZWHUFNONZ-LLVKDONJSA-N 2 2 243.351 -0.273 20 0 BBADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@H](C(N)=O)O1 ZINC000131711965 176296570 /nfs/dbraw/zinc/29/65/70/176296570.db2.gz SGRUKLMJQTVJGY-NXEZZACHSA-N 2 2 238.291 -0.542 20 0 BBADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)C[C@H](C(N)=O)O1 ZINC000131711965 176296568 /nfs/dbraw/zinc/29/65/68/176296568.db2.gz SGRUKLMJQTVJGY-NXEZZACHSA-N 2 2 238.291 -0.542 20 0 BBADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@@H](C(N)=O)O1 ZINC000131712160 176296177 /nfs/dbraw/zinc/29/61/77/176296177.db2.gz SGRUKLMJQTVJGY-ZJUUUORDSA-N 2 2 238.291 -0.542 20 0 BBADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)C[C@@H](C(N)=O)O1 ZINC000131712160 176296176 /nfs/dbraw/zinc/29/61/76/176296176.db2.gz SGRUKLMJQTVJGY-ZJUUUORDSA-N 2 2 238.291 -0.542 20 0 BBADLP COCCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000131875102 343186948 /nfs/dbraw/zinc/18/69/48/343186948.db2.gz WWTCAMDBQATZRZ-GHMZBOCLSA-N 2 2 243.351 -0.049 20 0 BBADLP COCCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000131875102 343186946 /nfs/dbraw/zinc/18/69/46/343186946.db2.gz WWTCAMDBQATZRZ-GHMZBOCLSA-N 2 2 243.351 -0.049 20 0 BBADLP COCCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000131875288 343186748 /nfs/dbraw/zinc/18/67/48/343186748.db2.gz WWTCAMDBQATZRZ-WDEREUQCSA-N 2 2 243.351 -0.049 20 0 BBADLP COCCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000131875288 343186746 /nfs/dbraw/zinc/18/67/46/343186746.db2.gz WWTCAMDBQATZRZ-WDEREUQCSA-N 2 2 243.351 -0.049 20 0 BBADLP COCCCNC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000131875480 343186791 /nfs/dbraw/zinc/18/67/91/343186791.db2.gz WWTCAMDBQATZRZ-MNOVXSKESA-N 2 2 243.351 -0.049 20 0 BBADLP COCCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000131875480 343186790 /nfs/dbraw/zinc/18/67/90/343186790.db2.gz WWTCAMDBQATZRZ-MNOVXSKESA-N 2 2 243.351 -0.049 20 0 BBADLP COCCCNC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000131875699 343186779 /nfs/dbraw/zinc/18/67/79/343186779.db2.gz WWTCAMDBQATZRZ-QWRGUYRKSA-N 2 2 243.351 -0.049 20 0 BBADLP COCCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000131875699 343186777 /nfs/dbraw/zinc/18/67/77/343186777.db2.gz WWTCAMDBQATZRZ-QWRGUYRKSA-N 2 2 243.351 -0.049 20 0 BBADLP CC(C)[NH2+]CCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000132017939 343398001 /nfs/dbraw/zinc/39/80/01/343398001.db2.gz VRICOYOEUMSPOH-NSHDSACASA-N 3 2 242.367 -0.524 20 0 BBADLP CC(C)[NH2+]CCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000132017939 343398000 /nfs/dbraw/zinc/39/80/00/343398000.db2.gz VRICOYOEUMSPOH-NSHDSACASA-N 3 2 242.367 -0.524 20 0 BBADLP CC(C)[NH2+]CCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000132018135 343398025 /nfs/dbraw/zinc/39/80/25/343398025.db2.gz VRICOYOEUMSPOH-LLVKDONJSA-N 3 2 242.367 -0.524 20 0 BBADLP CC(C)[NH2+]CCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000132018135 343398024 /nfs/dbraw/zinc/39/80/24/343398024.db2.gz VRICOYOEUMSPOH-LLVKDONJSA-N 3 2 242.367 -0.524 20 0 BBADLP C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000132018341 343398064 /nfs/dbraw/zinc/39/80/64/343398064.db2.gz YNIVMUXPFJTDGP-GHMZBOCLSA-N 3 2 240.351 -0.913 20 0 BBADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000132018341 343398063 /nfs/dbraw/zinc/39/80/63/343398063.db2.gz YNIVMUXPFJTDGP-GHMZBOCLSA-N 3 2 240.351 -0.913 20 0 BBADLP C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000132018585 343397954 /nfs/dbraw/zinc/39/79/54/343397954.db2.gz YNIVMUXPFJTDGP-MNOVXSKESA-N 3 2 240.351 -0.913 20 0 BBADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000132018585 343397952 /nfs/dbraw/zinc/39/79/52/343397952.db2.gz YNIVMUXPFJTDGP-MNOVXSKESA-N 3 2 240.351 -0.913 20 0 BBADLP C[C@@H](CNC(=O)C[NH+](C)C)C[NH+]1CCOCC1 ZINC000132485133 325220553 /nfs/dbraw/zinc/22/05/53/325220553.db2.gz JYLJIDDQOXMNPE-NSHDSACASA-N 2 2 243.351 -0.368 20 0 BBADLP C[C@H](CNC(=O)C[NH+](C)C)C[NH+]1CCOCC1 ZINC000132485345 325220847 /nfs/dbraw/zinc/22/08/47/325220847.db2.gz JYLJIDDQOXMNPE-LLVKDONJSA-N 2 2 243.351 -0.368 20 0 BBADLP C[C@@H](CCO)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000133113655 591766242 /nfs/dbraw/zinc/76/62/42/591766242.db2.gz BDVWJHOVAQCBFC-JTQLQIEISA-N 2 2 229.324 -0.879 20 0 BBADLP C[C@H](CCO)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000133113776 591766916 /nfs/dbraw/zinc/76/69/16/591766916.db2.gz BDVWJHOVAQCBFC-SNVBAGLBSA-N 2 2 229.324 -0.879 20 0 BBADLP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H]([NH2+]C)C1 ZINC000133152398 173286569 /nfs/dbraw/zinc/28/65/69/173286569.db2.gz QZOHCQGNTNKRPB-MRVPVSSYSA-N 2 2 228.296 -0.874 20 0 BBADLP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H]([NH2+]C)C1 ZINC000133152398 173286568 /nfs/dbraw/zinc/28/65/68/173286568.db2.gz QZOHCQGNTNKRPB-MRVPVSSYSA-N 2 2 228.296 -0.874 20 0 BBADLP CNC(=O)NC(=O)CC[N@H+]1CC[C@H]([NH2+]C)C1 ZINC000133152607 173286050 /nfs/dbraw/zinc/28/60/50/173286050.db2.gz QZOHCQGNTNKRPB-QMMMGPOBSA-N 2 2 228.296 -0.874 20 0 BBADLP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H]([NH2+]C)C1 ZINC000133152607 173286049 /nfs/dbraw/zinc/28/60/49/173286049.db2.gz QZOHCQGNTNKRPB-QMMMGPOBSA-N 2 2 228.296 -0.874 20 0 BBADLP CCNC(=O)NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000133200326 372003793 /nfs/dbraw/zinc/00/37/93/372003793.db2.gz QAOVVHKLEAKWBX-UHFFFAOYSA-N 2 2 216.285 -0.887 20 0 BBADLP CCNC(=O)NC(=O)C[N@H+](C)CCC[NH3+] ZINC000133200326 372003786 /nfs/dbraw/zinc/00/37/86/372003786.db2.gz QAOVVHKLEAKWBX-UHFFFAOYSA-N 2 2 216.285 -0.887 20 0 BBADLP C[C@@H]1CN(C(=O)C[N@@H+](C)CCC[NH3+])CCO1 ZINC000133201793 591779259 /nfs/dbraw/zinc/77/92/59/591779259.db2.gz KUVQRPGHFVDNRK-SNVBAGLBSA-N 2 2 229.324 -0.486 20 0 BBADLP C[C@@H]1CN(C(=O)C[N@H+](C)CCC[NH3+])CCO1 ZINC000133201793 591779257 /nfs/dbraw/zinc/77/92/57/591779257.db2.gz KUVQRPGHFVDNRK-SNVBAGLBSA-N 2 2 229.324 -0.486 20 0 BBADLP C[C@H]1CN(C(=O)C[N@@H+](C)CCC[NH3+])CCO1 ZINC000133201961 591778901 /nfs/dbraw/zinc/77/89/01/591778901.db2.gz KUVQRPGHFVDNRK-JTQLQIEISA-N 2 2 229.324 -0.486 20 0 BBADLP C[C@H]1CN(C(=O)C[N@H+](C)CCC[NH3+])CCO1 ZINC000133201961 591778898 /nfs/dbraw/zinc/77/88/98/591778898.db2.gz KUVQRPGHFVDNRK-JTQLQIEISA-N 2 2 229.324 -0.486 20 0 BBADLP CCCNC(=O)NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000133215416 372007940 /nfs/dbraw/zinc/00/79/40/372007940.db2.gz GPIWMFZAFNOBMN-UHFFFAOYSA-N 2 2 230.312 -0.497 20 0 BBADLP CCCNC(=O)NC(=O)C[N@H+](C)CCC[NH3+] ZINC000133215416 372007935 /nfs/dbraw/zinc/00/79/35/372007935.db2.gz GPIWMFZAFNOBMN-UHFFFAOYSA-N 2 2 230.312 -0.497 20 0 BBADLP C[N@@H+](CCC[NH3+])CC(=O)NC(=O)NC1CC1 ZINC000133216062 372007764 /nfs/dbraw/zinc/00/77/64/372007764.db2.gz WFLHTAPGQLZTNG-UHFFFAOYSA-N 2 2 228.296 -0.745 20 0 BBADLP C[N@H+](CCC[NH3+])CC(=O)NC(=O)NC1CC1 ZINC000133216062 372007757 /nfs/dbraw/zinc/00/77/57/372007757.db2.gz WFLHTAPGQLZTNG-UHFFFAOYSA-N 2 2 228.296 -0.745 20 0 BBADLP CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000133231949 173286698 /nfs/dbraw/zinc/28/66/98/173286698.db2.gz LZLJGGJIYAFWFM-MRVPVSSYSA-N 2 2 228.296 -0.745 20 0 BBADLP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000133231949 173286697 /nfs/dbraw/zinc/28/66/97/173286697.db2.gz LZLJGGJIYAFWFM-MRVPVSSYSA-N 2 2 228.296 -0.745 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCC(=O)NC(N)=O ZINC000133271853 173368574 /nfs/dbraw/zinc/36/85/74/173368574.db2.gz DMCMNPUHBPYXKA-QMMMGPOBSA-N 2 2 228.296 -0.745 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCC(=O)NC(N)=O ZINC000133271853 173368573 /nfs/dbraw/zinc/36/85/73/173368573.db2.gz DMCMNPUHBPYXKA-QMMMGPOBSA-N 2 2 228.296 -0.745 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@H+]1CCC(=O)NC(N)=O ZINC000133272044 173379886 /nfs/dbraw/zinc/37/98/86/173379886.db2.gz DMCMNPUHBPYXKA-MRVPVSSYSA-N 2 2 228.296 -0.745 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCC(=O)NC(N)=O ZINC000133272044 173379885 /nfs/dbraw/zinc/37/98/85/173379885.db2.gz DMCMNPUHBPYXKA-MRVPVSSYSA-N 2 2 228.296 -0.745 20 0 BBADLP C[C@H]([NH3+])[C@@H]1CN(Cc2c[nH+]cn2C)CCO1 ZINC000133316435 411709913 /nfs/dbraw/zinc/70/99/13/411709913.db2.gz DWCJQKZDWUFAGJ-ONGXEEELSA-N 2 2 224.308 -0.032 20 0 BBADLP C[C@@H]([NH3+])[C@@H]1CN(Cc2c[nH+]cn2C)CCO1 ZINC000133316637 411710016 /nfs/dbraw/zinc/71/00/16/411710016.db2.gz DWCJQKZDWUFAGJ-KOLCDFICSA-N 2 2 224.308 -0.032 20 0 BBADLP C[C@H]([NH3+])[C@H]1CN(Cc2c[nH+]cn2C)CCO1 ZINC000133316870 411709997 /nfs/dbraw/zinc/70/99/97/411709997.db2.gz DWCJQKZDWUFAGJ-GXSJLCMTSA-N 2 2 224.308 -0.032 20 0 BBADLP C[C@@H]([NH3+])[C@H]1CN(Cc2c[nH+]cn2C)CCO1 ZINC000133317077 411708134 /nfs/dbraw/zinc/70/81/34/411708134.db2.gz DWCJQKZDWUFAGJ-MWLCHTKSSA-N 2 2 224.308 -0.032 20 0 BBADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCn2cccn2)CCO1 ZINC000133329485 411711884 /nfs/dbraw/zinc/71/18/84/411711884.db2.gz SZTKOXOVABAMCB-QWRGUYRKSA-N 2 2 224.308 -0.069 20 0 BBADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCn2cccn2)CCO1 ZINC000133329485 411711882 /nfs/dbraw/zinc/71/18/82/411711882.db2.gz SZTKOXOVABAMCB-QWRGUYRKSA-N 2 2 224.308 -0.069 20 0 BBADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCn2cccn2)CCO1 ZINC000133329643 410437498 /nfs/dbraw/zinc/43/74/98/410437498.db2.gz SZTKOXOVABAMCB-MNOVXSKESA-N 2 2 224.308 -0.069 20 0 BBADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCn2cccn2)CCO1 ZINC000133329643 410437492 /nfs/dbraw/zinc/43/74/92/410437492.db2.gz SZTKOXOVABAMCB-MNOVXSKESA-N 2 2 224.308 -0.069 20 0 BBADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CCn2cccn2)CCO1 ZINC000133329756 411711951 /nfs/dbraw/zinc/71/19/51/411711951.db2.gz SZTKOXOVABAMCB-WDEREUQCSA-N 2 2 224.308 -0.069 20 0 BBADLP C[C@H]([NH3+])[C@H]1C[N@H+](CCn2cccn2)CCO1 ZINC000133329756 411711950 /nfs/dbraw/zinc/71/19/50/411711950.db2.gz SZTKOXOVABAMCB-WDEREUQCSA-N 2 2 224.308 -0.069 20 0 BBADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCn2cccn2)CCO1 ZINC000133329914 411710990 /nfs/dbraw/zinc/71/09/90/411710990.db2.gz SZTKOXOVABAMCB-GHMZBOCLSA-N 2 2 224.308 -0.069 20 0 BBADLP C[C@@H]([NH3+])[C@H]1C[N@H+](CCn2cccn2)CCO1 ZINC000133329914 411710987 /nfs/dbraw/zinc/71/09/87/411710987.db2.gz SZTKOXOVABAMCB-GHMZBOCLSA-N 2 2 224.308 -0.069 20 0 BBADLP COCCOCC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000133332153 411711870 /nfs/dbraw/zinc/71/18/70/411711870.db2.gz ZQZHMLGADOXVLT-QWRGUYRKSA-N 2 2 232.324 -0.303 20 0 BBADLP COCCOCC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000133332153 411711869 /nfs/dbraw/zinc/71/18/69/411711869.db2.gz ZQZHMLGADOXVLT-QWRGUYRKSA-N 2 2 232.324 -0.303 20 0 BBADLP COCCOCC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000133332378 410437209 /nfs/dbraw/zinc/43/72/09/410437209.db2.gz ZQZHMLGADOXVLT-MNOVXSKESA-N 2 2 232.324 -0.303 20 0 BBADLP COCCOCC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000133332378 410437201 /nfs/dbraw/zinc/43/72/01/410437201.db2.gz ZQZHMLGADOXVLT-MNOVXSKESA-N 2 2 232.324 -0.303 20 0 BBADLP COCCOCC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000133332559 411711963 /nfs/dbraw/zinc/71/19/63/411711963.db2.gz ZQZHMLGADOXVLT-WDEREUQCSA-N 2 2 232.324 -0.303 20 0 BBADLP COCCOCC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000133332559 411711962 /nfs/dbraw/zinc/71/19/62/411711962.db2.gz ZQZHMLGADOXVLT-WDEREUQCSA-N 2 2 232.324 -0.303 20 0 BBADLP COCCOCC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000133332763 410297937 /nfs/dbraw/zinc/29/79/37/410297937.db2.gz ZQZHMLGADOXVLT-GHMZBOCLSA-N 2 2 232.324 -0.303 20 0 BBADLP COCCOCC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000133332763 410297932 /nfs/dbraw/zinc/29/79/32/410297932.db2.gz ZQZHMLGADOXVLT-GHMZBOCLSA-N 2 2 232.324 -0.303 20 0 BBADLP C[NH+](C)CCNC(=O)NCCn1cc[nH+]c1 ZINC000133350175 325289658 /nfs/dbraw/zinc/28/96/58/325289658.db2.gz DGQFZJXJPDEIAB-UHFFFAOYSA-N 2 2 225.296 -0.256 20 0 BBADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000133380538 191106422 /nfs/dbraw/zinc/10/64/22/191106422.db2.gz MUKMVTBIJDXHGF-WOPDTQHZSA-N 3 2 229.368 -0.161 20 0 BBADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000133380538 191106419 /nfs/dbraw/zinc/10/64/19/191106419.db2.gz MUKMVTBIJDXHGF-WOPDTQHZSA-N 3 2 229.368 -0.161 20 0 BBADLP [NH3+]C[C@H]1CCC[N@H+]1CCN1C(=O)CCC1=O ZINC000133531380 386313223 /nfs/dbraw/zinc/31/32/23/386313223.db2.gz GMTHKUGIPLSWMN-SECBINFHSA-N 2 2 225.292 -0.442 20 0 BBADLP [NH3+]C[C@H]1CCC[N@@H+]1CCN1C(=O)CCC1=O ZINC000133531380 386313217 /nfs/dbraw/zinc/31/32/17/386313217.db2.gz GMTHKUGIPLSWMN-SECBINFHSA-N 2 2 225.292 -0.442 20 0 BBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000133605220 343185450 /nfs/dbraw/zinc/18/54/50/343185450.db2.gz PZQZAEWVJSJNLS-HTQZYQBOSA-N 2 2 228.296 -0.746 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000133605220 343185447 /nfs/dbraw/zinc/18/54/47/343185447.db2.gz PZQZAEWVJSJNLS-HTQZYQBOSA-N 2 2 228.296 -0.746 20 0 BBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000133605415 343185487 /nfs/dbraw/zinc/18/54/87/343185487.db2.gz PZQZAEWVJSJNLS-JGVFFNPUSA-N 2 2 228.296 -0.746 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000133605415 343185485 /nfs/dbraw/zinc/18/54/85/343185485.db2.gz PZQZAEWVJSJNLS-JGVFFNPUSA-N 2 2 228.296 -0.746 20 0 BBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000133605634 343185422 /nfs/dbraw/zinc/18/54/22/343185422.db2.gz PZQZAEWVJSJNLS-SFYZADRCSA-N 2 2 228.296 -0.746 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000133605634 343185421 /nfs/dbraw/zinc/18/54/21/343185421.db2.gz PZQZAEWVJSJNLS-SFYZADRCSA-N 2 2 228.296 -0.746 20 0 BBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000133605836 343185374 /nfs/dbraw/zinc/18/53/74/343185374.db2.gz PZQZAEWVJSJNLS-YUMQZZPRSA-N 2 2 228.296 -0.746 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000133605836 343185373 /nfs/dbraw/zinc/18/53/73/343185373.db2.gz PZQZAEWVJSJNLS-YUMQZZPRSA-N 2 2 228.296 -0.746 20 0 BBADLP C[NH+](C)C1CC[NH+](C[C@H](O)CO)CC1 ZINC000133742137 711460065 /nfs/dbraw/zinc/46/00/65/711460065.db2.gz DLFFFQJZURWBIX-JTQLQIEISA-N 2 2 202.298 -0.634 20 0 BBADLP C[NH+](C)C1CC[NH+](C[C@@H](O)CO)CC1 ZINC000133742339 711559425 /nfs/dbraw/zinc/55/94/25/711559425.db2.gz DLFFFQJZURWBIX-SNVBAGLBSA-N 2 2 202.298 -0.634 20 0 BBADLP C[C@@H]([NH3+])[C@H](C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000133867566 176577658 /nfs/dbraw/zinc/57/76/58/176577658.db2.gz ORGSLDRNLBUDEK-OUAUKWLOSA-N 2 2 243.351 -0.193 20 0 BBADLP C[C@@H]([NH3+])[C@@H](C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000133867998 384316359 /nfs/dbraw/zinc/31/63/59/384316359.db2.gz ORGSLDRNLBUDEK-GMTAPVOTSA-N 2 2 243.351 -0.193 20 0 BBADLP C[N@@H+](C[C@@H]1C[NH2+]CCO1)[C@@H]1CCOC1 ZINC000133899987 372128985 /nfs/dbraw/zinc/12/89/85/372128985.db2.gz PJYQKQDWKJNNQP-ZJUUUORDSA-N 2 2 200.282 -0.305 20 0 BBADLP C[N@H+](C[C@@H]1C[NH2+]CCO1)[C@@H]1CCOC1 ZINC000133899987 372128979 /nfs/dbraw/zinc/12/89/79/372128979.db2.gz PJYQKQDWKJNNQP-ZJUUUORDSA-N 2 2 200.282 -0.305 20 0 BBADLP C[N@@H+](C[C@H]1C[NH2+]CCO1)[C@@H]1CCOC1 ZINC000133900230 372128801 /nfs/dbraw/zinc/12/88/01/372128801.db2.gz PJYQKQDWKJNNQP-NXEZZACHSA-N 2 2 200.282 -0.305 20 0 BBADLP C[N@H+](C[C@H]1C[NH2+]CCO1)[C@@H]1CCOC1 ZINC000133900230 372128793 /nfs/dbraw/zinc/12/87/93/372128793.db2.gz PJYQKQDWKJNNQP-NXEZZACHSA-N 2 2 200.282 -0.305 20 0 BBADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCC(=O)N1 ZINC000134026099 491161557 /nfs/dbraw/zinc/16/15/57/491161557.db2.gz JUCATKCXPHBIHN-GARJFASQSA-N 2 2 241.335 -0.378 20 0 BBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCC(=O)N1 ZINC000134026323 491161582 /nfs/dbraw/zinc/16/15/82/491161582.db2.gz JUCATKCXPHBIHN-OUAUKWLOSA-N 2 2 241.335 -0.378 20 0 BBADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCC(=O)N1 ZINC000134026511 491161526 /nfs/dbraw/zinc/16/15/26/491161526.db2.gz JUCATKCXPHBIHN-DCAQKATOSA-N 2 2 241.335 -0.378 20 0 BBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCC(=O)N1 ZINC000134026701 491161625 /nfs/dbraw/zinc/16/16/25/491161625.db2.gz JUCATKCXPHBIHN-VWYCJHECSA-N 2 2 241.335 -0.378 20 0 BBADLP C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000134063950 358778327 /nfs/dbraw/zinc/77/83/27/358778327.db2.gz LNBVUJKLFYEIDB-QJPTWQEYSA-N 2 2 227.352 -0.001 20 0 BBADLP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000134064325 358778140 /nfs/dbraw/zinc/77/81/40/358778140.db2.gz LNBVUJKLFYEIDB-TUAOUCFPSA-N 2 2 227.352 -0.001 20 0 BBADLP C[C@H](O)CC[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000134145947 412095338 /nfs/dbraw/zinc/09/53/38/412095338.db2.gz NYWYMAVAJDGPQY-UWVGGRQHSA-N 2 2 202.298 -0.323 20 0 BBADLP C[C@H](O)CC[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000134145947 412095332 /nfs/dbraw/zinc/09/53/32/412095332.db2.gz NYWYMAVAJDGPQY-UWVGGRQHSA-N 2 2 202.298 -0.323 20 0 BBADLP C[C@@H](O)CC[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000134146115 412095483 /nfs/dbraw/zinc/09/54/83/412095483.db2.gz NYWYMAVAJDGPQY-ZJUUUORDSA-N 2 2 202.298 -0.323 20 0 BBADLP C[C@@H](O)CC[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000134146115 412095480 /nfs/dbraw/zinc/09/54/80/412095480.db2.gz NYWYMAVAJDGPQY-ZJUUUORDSA-N 2 2 202.298 -0.323 20 0 BBADLP COC[C@@H](O)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000134285623 487710901 /nfs/dbraw/zinc/71/09/01/487710901.db2.gz FZCAOMCPCFWKLG-UWVGGRQHSA-N 2 2 202.298 -0.323 20 0 BBADLP COC[C@@H](O)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000134285623 487710895 /nfs/dbraw/zinc/71/08/95/487710895.db2.gz FZCAOMCPCFWKLG-UWVGGRQHSA-N 2 2 202.298 -0.323 20 0 BBADLP COC[C@@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000134285647 487977713 /nfs/dbraw/zinc/97/77/13/487977713.db2.gz FZCAOMCPCFWKLG-ZJUUUORDSA-N 2 2 202.298 -0.323 20 0 BBADLP COC[C@@H](O)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000134285647 487977709 /nfs/dbraw/zinc/97/77/09/487977709.db2.gz FZCAOMCPCFWKLG-ZJUUUORDSA-N 2 2 202.298 -0.323 20 0 BBADLP CC[NH+]1CCC([NH2+][C@@H]2COC[C@@H]2O)CC1 ZINC000134398892 487981555 /nfs/dbraw/zinc/98/15/55/487981555.db2.gz FCFNJNHWAOPIIS-MNOVXSKESA-N 2 2 214.309 -0.180 20 0 BBADLP COc1c(N)[nH+]cnc1N1CC[NH+](C)CC1 ZINC000134807599 343195615 /nfs/dbraw/zinc/19/56/15/343195615.db2.gz YWFNEFPBVAIPKK-UHFFFAOYSA-N 2 2 223.280 -0.181 20 0 BBADLP COc1c(N)[nH+]cnc1N1CC[NH2+]CC1 ZINC000134900284 488005037 /nfs/dbraw/zinc/00/50/37/488005037.db2.gz QGCUWFBBPMTXLY-UHFFFAOYSA-N 2 2 209.253 -0.523 20 0 BBADLP C[NH+](C)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000134985846 325386419 /nfs/dbraw/zinc/38/64/19/325386419.db2.gz WUOOVRSQECPPBG-JTQLQIEISA-N 2 2 227.308 -0.911 20 0 BBADLP C[NH+](C)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000134985846 325386416 /nfs/dbraw/zinc/38/64/16/325386416.db2.gz WUOOVRSQECPPBG-JTQLQIEISA-N 2 2 227.308 -0.911 20 0 BBADLP C[NH+](C)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000134985872 325386330 /nfs/dbraw/zinc/38/63/30/325386330.db2.gz WUOOVRSQECPPBG-SNVBAGLBSA-N 2 2 227.308 -0.911 20 0 BBADLP C[NH+](C)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000134985872 325386329 /nfs/dbraw/zinc/38/63/29/325386329.db2.gz WUOOVRSQECPPBG-SNVBAGLBSA-N 2 2 227.308 -0.911 20 0 BBADLP C[C@H](NC(=O)C[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000134988525 538114429 /nfs/dbraw/zinc/11/44/29/538114429.db2.gz UKGBQEMJCPGSKK-UWVGGRQHSA-N 2 2 229.324 -0.617 20 0 BBADLP C[C@H](NC(=O)C[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000134988525 538114428 /nfs/dbraw/zinc/11/44/28/538114428.db2.gz UKGBQEMJCPGSKK-UWVGGRQHSA-N 2 2 229.324 -0.617 20 0 BBADLP C[C@@H](NC(=O)C[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000134988546 538114360 /nfs/dbraw/zinc/11/43/60/538114360.db2.gz UKGBQEMJCPGSKK-ZJUUUORDSA-N 2 2 229.324 -0.617 20 0 BBADLP C[C@@H](NC(=O)C[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000134988546 538114359 /nfs/dbraw/zinc/11/43/59/538114359.db2.gz UKGBQEMJCPGSKK-ZJUUUORDSA-N 2 2 229.324 -0.617 20 0 BBADLP C[C@H](NC(=O)C[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000134988563 538114391 /nfs/dbraw/zinc/11/43/91/538114391.db2.gz UKGBQEMJCPGSKK-VHSXEESVSA-N 2 2 229.324 -0.617 20 0 BBADLP C[C@H](NC(=O)C[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000134988563 538114390 /nfs/dbraw/zinc/11/43/90/538114390.db2.gz UKGBQEMJCPGSKK-VHSXEESVSA-N 2 2 229.324 -0.617 20 0 BBADLP C[C@@H](NC(=O)C[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000134988584 538114404 /nfs/dbraw/zinc/11/44/04/538114404.db2.gz UKGBQEMJCPGSKK-NXEZZACHSA-N 2 2 229.324 -0.617 20 0 BBADLP C[C@@H](NC(=O)C[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000134988584 538114403 /nfs/dbraw/zinc/11/44/03/538114403.db2.gz UKGBQEMJCPGSKK-NXEZZACHSA-N 2 2 229.324 -0.617 20 0 BBADLP C[C@@H](CC(N)=O)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000136093491 358861463 /nfs/dbraw/zinc/86/14/63/358861463.db2.gz VKWJWEKNJPDFSI-QMMMGPOBSA-N 2 2 239.323 -0.160 20 0 BBADLP C[C@H](CC(N)=O)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000136093529 358861899 /nfs/dbraw/zinc/86/18/99/358861899.db2.gz VKWJWEKNJPDFSI-MRVPVSSYSA-N 2 2 239.323 -0.160 20 0 BBADLP Nc1nc(NCCCn2cc[nH+]c2)nc(N)[nH+]1 ZINC000137850511 358002633 /nfs/dbraw/zinc/00/26/33/358002633.db2.gz STTNXAYUFPHWDJ-UHFFFAOYSA-N 2 2 234.267 -0.265 20 0 BBADLP C[NH+]1CCC(Nc2nc(N)nc(N)[nH+]2)CC1 ZINC000137860508 358005953 /nfs/dbraw/zinc/00/59/53/358005953.db2.gz QFFUNPBBQCINCB-UHFFFAOYSA-N 2 2 223.284 -0.458 20 0 BBADLP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCC[NH2+]1 ZINC000141401730 182212476 /nfs/dbraw/zinc/21/24/76/182212476.db2.gz NPBSJIBSVYXQHN-QMMMGPOBSA-N 2 2 208.265 -0.180 20 0 BBADLP NC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000144682153 537948461 /nfs/dbraw/zinc/94/84/61/537948461.db2.gz QRGBVLCVSRQERD-UHFFFAOYSA-N 2 2 220.276 -0.311 20 0 BBADLP C[NH+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC000145316372 344330522 /nfs/dbraw/zinc/33/05/22/344330522.db2.gz VGWLAZPPKPKLOF-UHFFFAOYSA-N 2 2 210.281 -0.049 20 0 BBADLP CC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)CC[C@@H]1[NH3+] ZINC000147523439 538057159 /nfs/dbraw/zinc/05/71/59/538057159.db2.gz GTPNGJLZXILHOO-SFYZADRCSA-N 2 2 228.296 -0.760 20 0 BBADLP CC[C@@H]1C[N@H+](CC(=O)NC(N)=O)CC[C@@H]1[NH3+] ZINC000147523439 538057157 /nfs/dbraw/zinc/05/71/57/538057157.db2.gz GTPNGJLZXILHOO-SFYZADRCSA-N 2 2 228.296 -0.760 20 0 BBADLP CC[C@H]1C[N@@H+](CC(=O)NC(N)=O)CC[C@@H]1[NH3+] ZINC000147523636 491071275 /nfs/dbraw/zinc/07/12/75/491071275.db2.gz GTPNGJLZXILHOO-YUMQZZPRSA-N 2 2 228.296 -0.760 20 0 BBADLP CC[C@H]1C[N@H+](CC(=O)NC(N)=O)CC[C@@H]1[NH3+] ZINC000147523636 491071274 /nfs/dbraw/zinc/07/12/74/491071274.db2.gz GTPNGJLZXILHOO-YUMQZZPRSA-N 2 2 228.296 -0.760 20 0 BBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C1([NH3+])CCC1 ZINC000147612598 343198166 /nfs/dbraw/zinc/19/81/66/343198166.db2.gz ZUQFGZVXINEDGC-JTQLQIEISA-N 2 2 241.335 -0.295 20 0 BBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C1([NH3+])CCC1 ZINC000147612795 343198244 /nfs/dbraw/zinc/19/82/44/343198244.db2.gz ZUQFGZVXINEDGC-SNVBAGLBSA-N 2 2 241.335 -0.295 20 0 BBADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccon2)CC1 ZINC000148823006 346460640 /nfs/dbraw/zinc/46/06/40/346460640.db2.gz NKGLDPWZMDHEAC-UHFFFAOYSA-N 2 2 238.291 -0.462 20 0 BBADLP C[NH+]1CCN(C(=O)C2([NH3+])CCOCC2)CC1 ZINC000149627905 173065519 /nfs/dbraw/zinc/06/55/19/173065519.db2.gz XZUCYECDHBADMY-UHFFFAOYSA-N 2 2 227.308 -0.732 20 0 BBADLP NC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150757427 136273515 /nfs/dbraw/zinc/27/35/15/136273515.db2.gz RUSOEEGIBWPIJA-JTQLQIEISA-N 2 2 211.309 -0.111 20 0 BBADLP NC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150757427 136273514 /nfs/dbraw/zinc/27/35/14/136273514.db2.gz RUSOEEGIBWPIJA-JTQLQIEISA-N 2 2 211.309 -0.111 20 0 BBADLP NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150757455 136273549 /nfs/dbraw/zinc/27/35/49/136273549.db2.gz RUSOEEGIBWPIJA-SNVBAGLBSA-N 2 2 211.309 -0.111 20 0 BBADLP NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150757455 136273548 /nfs/dbraw/zinc/27/35/48/136273548.db2.gz RUSOEEGIBWPIJA-SNVBAGLBSA-N 2 2 211.309 -0.111 20 0 BBADLP COC(=O)[C@@H]1C[N@@H+](CCn2cc[nH+]c2)CCO1 ZINC000152005355 384903618 /nfs/dbraw/zinc/90/36/18/384903618.db2.gz JUPJSQPJWVMKLE-JTQLQIEISA-N 2 2 239.275 -0.243 20 0 BBADLP COC(=O)[C@@H]1C[N@H+](CCn2cc[nH+]c2)CCO1 ZINC000152005355 384903609 /nfs/dbraw/zinc/90/36/09/384903609.db2.gz JUPJSQPJWVMKLE-JTQLQIEISA-N 2 2 239.275 -0.243 20 0 BBADLP COC(=O)[C@H]1C[N@@H+](CCn2cc[nH+]c2)CCO1 ZINC000152005475 384901410 /nfs/dbraw/zinc/90/14/10/384901410.db2.gz JUPJSQPJWVMKLE-SNVBAGLBSA-N 2 2 239.275 -0.243 20 0 BBADLP COC(=O)[C@H]1C[N@H+](CCn2cc[nH+]c2)CCO1 ZINC000152005475 384901405 /nfs/dbraw/zinc/90/14/05/384901405.db2.gz JUPJSQPJWVMKLE-SNVBAGLBSA-N 2 2 239.275 -0.243 20 0 BBADLP CC[C@@H]([NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000152862120 346278820 /nfs/dbraw/zinc/27/88/20/346278820.db2.gz JXAIBRQSHRKYFB-SNVBAGLBSA-N 2 2 229.324 -0.486 20 0 BBADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)CC[N@H+]1C ZINC000154248372 201272079 /nfs/dbraw/zinc/27/20/79/201272079.db2.gz GAYLXNMEXHJJRP-UTUOFQBUSA-N 3 2 229.368 -0.019 20 0 BBADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)CC[N@@H+]1C ZINC000154248372 201272077 /nfs/dbraw/zinc/27/20/77/201272077.db2.gz GAYLXNMEXHJJRP-UTUOFQBUSA-N 3 2 229.368 -0.019 20 0 BBADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)CC[N@H+]1C ZINC000154248561 201272372 /nfs/dbraw/zinc/27/23/72/201272372.db2.gz GAYLXNMEXHJJRP-WOPDTQHZSA-N 3 2 229.368 -0.019 20 0 BBADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)CC[N@@H+]1C ZINC000154248561 201272370 /nfs/dbraw/zinc/27/23/70/201272370.db2.gz GAYLXNMEXHJJRP-WOPDTQHZSA-N 3 2 229.368 -0.019 20 0 BBADLP C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000157333904 385149004 /nfs/dbraw/zinc/14/90/04/385149004.db2.gz FIIQSQJCUHUSTC-WCBMZHEXSA-N 2 2 227.308 -0.687 20 0 BBADLP C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000157333904 385149000 /nfs/dbraw/zinc/14/90/00/385149000.db2.gz FIIQSQJCUHUSTC-WCBMZHEXSA-N 2 2 227.308 -0.687 20 0 BBADLP C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000157334042 385148194 /nfs/dbraw/zinc/14/81/94/385148194.db2.gz FIIQSQJCUHUSTC-PSASIEDQSA-N 2 2 227.308 -0.687 20 0 BBADLP C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000157334042 385148188 /nfs/dbraw/zinc/14/81/88/385148188.db2.gz FIIQSQJCUHUSTC-PSASIEDQSA-N 2 2 227.308 -0.687 20 0 BBADLP C[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000157334193 385147938 /nfs/dbraw/zinc/14/79/38/385147938.db2.gz FIIQSQJCUHUSTC-WPRPVWTQSA-N 2 2 227.308 -0.687 20 0 BBADLP C[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000157334193 385147929 /nfs/dbraw/zinc/14/79/29/385147929.db2.gz FIIQSQJCUHUSTC-WPRPVWTQSA-N 2 2 227.308 -0.687 20 0 BBADLP C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000157334354 385147586 /nfs/dbraw/zinc/14/75/86/385147586.db2.gz FIIQSQJCUHUSTC-SCZZXKLOSA-N 2 2 227.308 -0.687 20 0 BBADLP C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000157334354 385147584 /nfs/dbraw/zinc/14/75/84/385147584.db2.gz FIIQSQJCUHUSTC-SCZZXKLOSA-N 2 2 227.308 -0.687 20 0 BBADLP CCOCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000157375349 398340424 /nfs/dbraw/zinc/34/04/24/398340424.db2.gz ZMGBDSSVHJOLMN-UHFFFAOYSA-N 2 2 243.351 -0.271 20 0 BBADLP CCOCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000157375349 398340423 /nfs/dbraw/zinc/34/04/23/398340423.db2.gz ZMGBDSSVHJOLMN-UHFFFAOYSA-N 2 2 243.351 -0.271 20 0 BBADLP CC[NH+]1CCC([N@@H+](C)CC(=O)NC(N)=O)CC1 ZINC000157493591 384018213 /nfs/dbraw/zinc/01/82/13/384018213.db2.gz IVFJSCDYYZZKFQ-UHFFFAOYSA-N 2 2 242.323 -0.403 20 0 BBADLP CC[NH+]1CCC([N@H+](C)CC(=O)NC(N)=O)CC1 ZINC000157493591 384018205 /nfs/dbraw/zinc/01/82/05/384018205.db2.gz IVFJSCDYYZZKFQ-UHFFFAOYSA-N 2 2 242.323 -0.403 20 0 BBADLP C[C@@H]1C[C@H]([NH2+][C@@H]2COC[C@@H]2O)CC[N@H+]1C ZINC000158111505 346489480 /nfs/dbraw/zinc/48/94/80/346489480.db2.gz QJVJDCHDYLJUAK-DBIOUOCHSA-N 2 2 214.309 -0.182 20 0 BBADLP C[C@@H]1C[C@H]([NH2+][C@@H]2COC[C@@H]2O)CC[N@@H+]1C ZINC000158111505 346489479 /nfs/dbraw/zinc/48/94/79/346489479.db2.gz QJVJDCHDYLJUAK-DBIOUOCHSA-N 2 2 214.309 -0.182 20 0 BBADLP C[C@H]1C[C@H]([NH2+][C@@H]2COC[C@@H]2O)CC[N@H+]1C ZINC000158111665 361177680 /nfs/dbraw/zinc/17/76/80/361177680.db2.gz QJVJDCHDYLJUAK-ZDCRXTMVSA-N 2 2 214.309 -0.182 20 0 BBADLP C[C@H]1C[C@H]([NH2+][C@@H]2COC[C@@H]2O)CC[N@@H+]1C ZINC000158111665 361177674 /nfs/dbraw/zinc/17/76/74/361177674.db2.gz QJVJDCHDYLJUAK-ZDCRXTMVSA-N 2 2 214.309 -0.182 20 0 BBADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2COC[C@@H]2O)CC[N@H+]1C ZINC000158111811 361178034 /nfs/dbraw/zinc/17/80/34/361178034.db2.gz QJVJDCHDYLJUAK-YTWAJWBKSA-N 2 2 214.309 -0.182 20 0 BBADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2COC[C@@H]2O)CC[N@@H+]1C ZINC000158111811 361178028 /nfs/dbraw/zinc/17/80/28/361178028.db2.gz QJVJDCHDYLJUAK-YTWAJWBKSA-N 2 2 214.309 -0.182 20 0 BBADLP C[C@H]1C[C@@H]([NH2+][C@@H]2COC[C@@H]2O)CC[N@H+]1C ZINC000158111959 361178308 /nfs/dbraw/zinc/17/83/08/361178308.db2.gz QJVJDCHDYLJUAK-MMWGEVLESA-N 2 2 214.309 -0.182 20 0 BBADLP C[C@H]1C[C@@H]([NH2+][C@@H]2COC[C@@H]2O)CC[N@@H+]1C ZINC000158111959 361178303 /nfs/dbraw/zinc/17/83/03/361178303.db2.gz QJVJDCHDYLJUAK-MMWGEVLESA-N 2 2 214.309 -0.182 20 0 BBADLP O=C(NCCc1[nH]cc[nH+]1)[C@H]1CCC[NH2+]1 ZINC000158545790 361203902 /nfs/dbraw/zinc/20/39/02/361203902.db2.gz NPBSJIBSVYXQHN-MRVPVSSYSA-N 2 2 208.265 -0.180 20 0 BBADLP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CSC[NH2+]1 ZINC000158550205 361203758 /nfs/dbraw/zinc/20/37/58/361203758.db2.gz ZWGVVDHZRHBFQO-ZETCQYMHSA-N 2 2 226.305 -0.269 20 0 BBADLP O=C(NCCc1[nH]cc[nH+]1)[C@H]1CSC[NH2+]1 ZINC000158550347 361203199 /nfs/dbraw/zinc/20/31/99/361203199.db2.gz ZWGVVDHZRHBFQO-SSDOTTSWSA-N 2 2 226.305 -0.269 20 0 BBADLP Cc1[nH+]ccn1CC[N@H+]1CCOC[C@H]1CO ZINC000159279701 488019250 /nfs/dbraw/zinc/01/92/50/488019250.db2.gz VTLOXPFPAYAWFJ-LLVKDONJSA-N 2 2 225.292 -0.115 20 0 BBADLP Cc1[nH+]ccn1CC[N@@H+]1CCOC[C@H]1CO ZINC000159279701 488019246 /nfs/dbraw/zinc/01/92/46/488019246.db2.gz VTLOXPFPAYAWFJ-LLVKDONJSA-N 2 2 225.292 -0.115 20 0 BBADLP OC[C@@H]1COCC[N@H+]1CCn1cc[nH+]c1 ZINC000159286172 538876324 /nfs/dbraw/zinc/87/63/24/538876324.db2.gz AHVSWVYOMFGEIP-SNVBAGLBSA-N 2 2 211.265 -0.424 20 0 BBADLP OC[C@@H]1COCC[N@@H+]1CCn1cc[nH+]c1 ZINC000159286172 538876321 /nfs/dbraw/zinc/87/63/21/538876321.db2.gz AHVSWVYOMFGEIP-SNVBAGLBSA-N 2 2 211.265 -0.424 20 0 BBADLP OC[C@@H]1COCC[N@H+]1CCCn1cc[nH+]c1 ZINC000159300857 488020861 /nfs/dbraw/zinc/02/08/61/488020861.db2.gz HUSAEZGTGFHBGB-LLVKDONJSA-N 2 2 225.292 -0.034 20 0 BBADLP OC[C@@H]1COCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000159300857 488020857 /nfs/dbraw/zinc/02/08/57/488020857.db2.gz HUSAEZGTGFHBGB-LLVKDONJSA-N 2 2 225.292 -0.034 20 0 BBADLP COC[C@H]([NH3+])C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000159742166 345509041 /nfs/dbraw/zinc/50/90/41/345509041.db2.gz MULLCERMIRZKGW-MNOVXSKESA-N 2 2 241.335 -0.343 20 0 BBADLP COC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000159742166 345509040 /nfs/dbraw/zinc/50/90/40/345509040.db2.gz MULLCERMIRZKGW-MNOVXSKESA-N 2 2 241.335 -0.343 20 0 BBADLP COC[C@@H]([NH3+])C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000159742318 345504906 /nfs/dbraw/zinc/50/49/06/345504906.db2.gz MULLCERMIRZKGW-GHMZBOCLSA-N 2 2 241.335 -0.343 20 0 BBADLP C[N@@H+](CCN1C(=O)CCC1=O)[C@@H](C[NH3+])C1CC1 ZINC000159991578 345774993 /nfs/dbraw/zinc/77/49/93/345774993.db2.gz XDLAUVYVFICMGY-JTQLQIEISA-N 2 2 239.319 -0.196 20 0 BBADLP C[N@H+](CCN1C(=O)CCC1=O)[C@@H](C[NH3+])C1CC1 ZINC000159991578 345774992 /nfs/dbraw/zinc/77/49/92/345774992.db2.gz XDLAUVYVFICMGY-JTQLQIEISA-N 2 2 239.319 -0.196 20 0 BBADLP C[N@@H+](CCN1C(=O)CCC1=O)[C@H](C[NH3+])C1CC1 ZINC000159991720 345775251 /nfs/dbraw/zinc/77/52/51/345775251.db2.gz XDLAUVYVFICMGY-SNVBAGLBSA-N 2 2 239.319 -0.196 20 0 BBADLP C[N@H+](CCN1C(=O)CCC1=O)[C@H](C[NH3+])C1CC1 ZINC000159991720 345775246 /nfs/dbraw/zinc/77/52/46/345775246.db2.gz XDLAUVYVFICMGY-SNVBAGLBSA-N 2 2 239.319 -0.196 20 0 BBADLP C[N@@H+](CCN1C(=O)CNC1=O)[C@@H](C[NH3+])C1CC1 ZINC000160163739 711805970 /nfs/dbraw/zinc/80/59/70/711805970.db2.gz KYZTYVGMEJZGOA-VIFPVBQESA-N 2 2 240.307 -0.793 20 0 BBADLP C[N@H+](CCN1C(=O)CNC1=O)[C@@H](C[NH3+])C1CC1 ZINC000160163739 711805969 /nfs/dbraw/zinc/80/59/69/711805969.db2.gz KYZTYVGMEJZGOA-VIFPVBQESA-N 2 2 240.307 -0.793 20 0 BBADLP C[N@@H+](CCN1C(=O)CNC1=O)[C@H](C[NH3+])C1CC1 ZINC000160163871 711806023 /nfs/dbraw/zinc/80/60/23/711806023.db2.gz KYZTYVGMEJZGOA-SECBINFHSA-N 2 2 240.307 -0.793 20 0 BBADLP C[N@H+](CCN1C(=O)CNC1=O)[C@H](C[NH3+])C1CC1 ZINC000160163871 711806022 /nfs/dbraw/zinc/80/60/22/711806022.db2.gz KYZTYVGMEJZGOA-SECBINFHSA-N 2 2 240.307 -0.793 20 0 BBADLP CCn1nccc1CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000160251725 343203454 /nfs/dbraw/zinc/20/34/54/343203454.db2.gz REYVUYLGSADICN-LBPRGKRZSA-N 2 2 237.351 -0.022 20 0 BBADLP CCn1nccc1CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000160251725 343203452 /nfs/dbraw/zinc/20/34/52/343203452.db2.gz REYVUYLGSADICN-LBPRGKRZSA-N 2 2 237.351 -0.022 20 0 BBADLP C[C@H](O)CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000160588163 349258221 /nfs/dbraw/zinc/25/82/21/349258221.db2.gz QNWUBRPEXPJWGG-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP C[C@H](O)CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000160588163 349258218 /nfs/dbraw/zinc/25/82/18/349258218.db2.gz QNWUBRPEXPJWGG-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP C[C@@H](O)CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000160588299 349261270 /nfs/dbraw/zinc/26/12/70/349261270.db2.gz QNWUBRPEXPJWGG-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP C[C@@H](O)CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000160588299 349261268 /nfs/dbraw/zinc/26/12/68/349261268.db2.gz QNWUBRPEXPJWGG-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP CN(Cc1[nH]cc[nH+]1)C(=O)COC1(C)C[NH2+]C1 ZINC000161185198 346479351 /nfs/dbraw/zinc/47/93/51/346479351.db2.gz ZVHZMDVBGGOSMI-UHFFFAOYSA-N 2 2 238.291 -0.253 20 0 BBADLP CO[C@H]1CC[N@@H+](CCC(=O)N(C)C)[C@@H](C[NH3+])C1 ZINC000161189635 343204828 /nfs/dbraw/zinc/20/48/28/343204828.db2.gz PRDGGXFRXVUDBF-MNOVXSKESA-N 2 2 243.351 -0.097 20 0 BBADLP CO[C@H]1CC[N@H+](CCC(=O)N(C)C)[C@@H](C[NH3+])C1 ZINC000161189635 343204825 /nfs/dbraw/zinc/20/48/25/343204825.db2.gz PRDGGXFRXVUDBF-MNOVXSKESA-N 2 2 243.351 -0.097 20 0 BBADLP CO[C@@H]1CC[N@@H+](CCC(=O)N(C)C)[C@@H](C[NH3+])C1 ZINC000161189765 343204889 /nfs/dbraw/zinc/20/48/89/343204889.db2.gz PRDGGXFRXVUDBF-GHMZBOCLSA-N 2 2 243.351 -0.097 20 0 BBADLP CO[C@@H]1CC[N@H+](CCC(=O)N(C)C)[C@@H](C[NH3+])C1 ZINC000161189765 343204886 /nfs/dbraw/zinc/20/48/86/343204886.db2.gz PRDGGXFRXVUDBF-GHMZBOCLSA-N 2 2 243.351 -0.097 20 0 BBADLP CN1CC[N@@H+](CCn2cc[nH+]c2)CC1=O ZINC000162006247 173083958 /nfs/dbraw/zinc/08/39/58/173083958.db2.gz HZUOUXIRMTVKFJ-UHFFFAOYSA-N 2 2 208.265 -0.343 20 0 BBADLP CN1CC[N@H+](CCn2cc[nH+]c2)CC1=O ZINC000162006247 173083957 /nfs/dbraw/zinc/08/39/57/173083957.db2.gz HZUOUXIRMTVKFJ-UHFFFAOYSA-N 2 2 208.265 -0.343 20 0 BBADLP COC1(C(=O)N2CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000162029948 387208839 /nfs/dbraw/zinc/20/88/39/387208839.db2.gz JQTAQNRGLAFCTR-UHFFFAOYSA-N 2 2 241.335 -0.471 20 0 BBADLP CCCOCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000162363966 487610240 /nfs/dbraw/zinc/61/02/40/487610240.db2.gz OZVIFMCJYMWVMI-JTQLQIEISA-N 2 2 229.324 -0.486 20 0 BBADLP CCCOCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000162363966 487610237 /nfs/dbraw/zinc/61/02/37/487610237.db2.gz OZVIFMCJYMWVMI-JTQLQIEISA-N 2 2 229.324 -0.486 20 0 BBADLP CCCOCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000162364106 487550194 /nfs/dbraw/zinc/55/01/94/487550194.db2.gz OZVIFMCJYMWVMI-SNVBAGLBSA-N 2 2 229.324 -0.486 20 0 BBADLP CCCOCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000162364106 487550187 /nfs/dbraw/zinc/55/01/87/487550187.db2.gz OZVIFMCJYMWVMI-SNVBAGLBSA-N 2 2 229.324 -0.486 20 0 BBADLP CC(C)OCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000162582302 343205696 /nfs/dbraw/zinc/20/56/96/343205696.db2.gz UUNVHKOSCSDQED-JTQLQIEISA-N 2 2 229.324 -0.487 20 0 BBADLP CC(C)OCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000162582302 343205695 /nfs/dbraw/zinc/20/56/95/343205695.db2.gz UUNVHKOSCSDQED-JTQLQIEISA-N 2 2 229.324 -0.487 20 0 BBADLP CC(C)OCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000162582442 343205705 /nfs/dbraw/zinc/20/57/05/343205705.db2.gz UUNVHKOSCSDQED-SNVBAGLBSA-N 2 2 229.324 -0.487 20 0 BBADLP CC(C)OCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000162582442 343205704 /nfs/dbraw/zinc/20/57/04/343205704.db2.gz UUNVHKOSCSDQED-SNVBAGLBSA-N 2 2 229.324 -0.487 20 0 BBADLP C[N@H+]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000162619633 346530732 /nfs/dbraw/zinc/53/07/32/346530732.db2.gz HDPGPRHRBGJSII-WDEREUQCSA-N 3 2 240.351 -0.770 20 0 BBADLP C[N@@H+]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000162619633 346530729 /nfs/dbraw/zinc/53/07/29/346530729.db2.gz HDPGPRHRBGJSII-WDEREUQCSA-N 3 2 240.351 -0.770 20 0 BBADLP C[N@H+]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000162619769 346530711 /nfs/dbraw/zinc/53/07/11/346530711.db2.gz HDPGPRHRBGJSII-QWRGUYRKSA-N 3 2 240.351 -0.770 20 0 BBADLP C[N@@H+]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000162619769 346530709 /nfs/dbraw/zinc/53/07/09/346530709.db2.gz HDPGPRHRBGJSII-QWRGUYRKSA-N 3 2 240.351 -0.770 20 0 BBADLP C[N@H+]1CCN(C(=O)CC2([NH3+])CCC2)[C@H](C[NH3+])C1 ZINC000162637674 487601487 /nfs/dbraw/zinc/60/14/87/487601487.db2.gz FREYJHVFBVYVHG-SNVBAGLBSA-N 3 2 240.351 -0.641 20 0 BBADLP C[N@@H+]1CCN(C(=O)CC2([NH3+])CCC2)[C@H](C[NH3+])C1 ZINC000162637674 487601484 /nfs/dbraw/zinc/60/14/84/487601484.db2.gz FREYJHVFBVYVHG-SNVBAGLBSA-N 3 2 240.351 -0.641 20 0 BBADLP C[N@H+]1CCN(C(=O)CC2([NH3+])CCC2)[C@@H](C[NH3+])C1 ZINC000162637816 487601606 /nfs/dbraw/zinc/60/16/06/487601606.db2.gz FREYJHVFBVYVHG-JTQLQIEISA-N 3 2 240.351 -0.641 20 0 BBADLP C[N@@H+]1CCN(C(=O)CC2([NH3+])CCC2)[C@@H](C[NH3+])C1 ZINC000162637816 487601602 /nfs/dbraw/zinc/60/16/02/487601602.db2.gz FREYJHVFBVYVHG-JTQLQIEISA-N 3 2 240.351 -0.641 20 0 BBADLP COCC(C)(C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000163215111 202278407 /nfs/dbraw/zinc/27/84/07/202278407.db2.gz QLUNMMROSQMJJO-UHFFFAOYSA-N 2 2 243.351 -0.225 20 0 BBADLP CC[N@@H+](CCCO)CC(=O)N1CC[NH+](C)CC1 ZINC000163217154 350509387 /nfs/dbraw/zinc/50/93/87/350509387.db2.gz ZZHCCZWUPCNCFU-UHFFFAOYSA-N 2 2 243.351 -0.535 20 0 BBADLP CC[N@H+](CCCO)CC(=O)N1CC[NH+](C)CC1 ZINC000163217154 350509382 /nfs/dbraw/zinc/50/93/82/350509382.db2.gz ZZHCCZWUPCNCFU-UHFFFAOYSA-N 2 2 243.351 -0.535 20 0 BBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163231847 170075729 /nfs/dbraw/zinc/07/57/29/170075729.db2.gz QQOMIHCZIMRSLY-BDAKNGLRSA-N 2 2 242.323 -0.499 20 0 BBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163231847 170075728 /nfs/dbraw/zinc/07/57/28/170075728.db2.gz QQOMIHCZIMRSLY-BDAKNGLRSA-N 2 2 242.323 -0.499 20 0 BBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000163231971 170076403 /nfs/dbraw/zinc/07/64/03/170076403.db2.gz QQOMIHCZIMRSLY-RKDXNWHRSA-N 2 2 242.323 -0.499 20 0 BBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000163231971 170076402 /nfs/dbraw/zinc/07/64/02/170076402.db2.gz QQOMIHCZIMRSLY-RKDXNWHRSA-N 2 2 242.323 -0.499 20 0 BBADLP COC[C@@H](C)CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000163550514 388363874 /nfs/dbraw/zinc/36/38/74/388363874.db2.gz TWSQRDBLFZZTNV-QWRGUYRKSA-N 2 2 215.341 -0.156 20 0 BBADLP COC[C@@H](C)CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000163550514 388363870 /nfs/dbraw/zinc/36/38/70/388363870.db2.gz TWSQRDBLFZZTNV-QWRGUYRKSA-N 2 2 215.341 -0.156 20 0 BBADLP COC[C@H](C)CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000163550618 388364031 /nfs/dbraw/zinc/36/40/31/388364031.db2.gz TWSQRDBLFZZTNV-MNOVXSKESA-N 2 2 215.341 -0.156 20 0 BBADLP COC[C@H](C)CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000163550618 388364029 /nfs/dbraw/zinc/36/40/29/388364029.db2.gz TWSQRDBLFZZTNV-MNOVXSKESA-N 2 2 215.341 -0.156 20 0 BBADLP Cc1cc(NC(=O)CN2CC[NH2+]CC2=O)cc[nH+]1 ZINC000163662613 387852271 /nfs/dbraw/zinc/85/22/71/387852271.db2.gz FQWZYZGZEUSOFX-UHFFFAOYSA-N 2 2 248.286 -0.240 20 0 BBADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCn1cc[nH+]c1 ZINC000163807939 536528488 /nfs/dbraw/zinc/52/84/88/536528488.db2.gz KQWVJJPDRWCYOO-UWVGGRQHSA-N 2 2 239.275 -0.509 20 0 BBADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCn1cc[nH+]c1 ZINC000163807939 536528486 /nfs/dbraw/zinc/52/84/86/536528486.db2.gz KQWVJJPDRWCYOO-UWVGGRQHSA-N 2 2 239.275 -0.509 20 0 BBADLP COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCn1cc[nH+]c1 ZINC000163808029 135208121 /nfs/dbraw/zinc/20/81/21/135208121.db2.gz KQWVJJPDRWCYOO-VHSXEESVSA-N 2 2 239.275 -0.509 20 0 BBADLP COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCn1cc[nH+]c1 ZINC000163808029 135208120 /nfs/dbraw/zinc/20/81/20/135208120.db2.gz KQWVJJPDRWCYOO-VHSXEESVSA-N 2 2 239.275 -0.509 20 0 BBADLP COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCn1cc[nH+]c1 ZINC000163808122 135207990 /nfs/dbraw/zinc/20/79/90/135207990.db2.gz KQWVJJPDRWCYOO-ZJUUUORDSA-N 2 2 239.275 -0.509 20 0 BBADLP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCn1cc[nH+]c1 ZINC000163808122 135207988 /nfs/dbraw/zinc/20/79/88/135207988.db2.gz KQWVJJPDRWCYOO-ZJUUUORDSA-N 2 2 239.275 -0.509 20 0 BBADLP COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCn1cc[nH+]c1 ZINC000163808219 135207334 /nfs/dbraw/zinc/20/73/34/135207334.db2.gz KQWVJJPDRWCYOO-NXEZZACHSA-N 2 2 239.275 -0.509 20 0 BBADLP COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCn1cc[nH+]c1 ZINC000163808219 135207333 /nfs/dbraw/zinc/20/73/33/135207333.db2.gz KQWVJJPDRWCYOO-NXEZZACHSA-N 2 2 239.275 -0.509 20 0 BBADLP COCC[NH+]1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000164002503 135212565 /nfs/dbraw/zinc/21/25/65/135212565.db2.gz DOCJUPMXDCGXAY-UHFFFAOYSA-N 2 2 227.308 -0.732 20 0 BBADLP COCC[NH+]1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000164004547 135212604 /nfs/dbraw/zinc/21/26/04/135212604.db2.gz SLGXHTIBTFMBEY-NSHDSACASA-N 2 2 243.351 -0.240 20 0 BBADLP CCOCC[NH+]1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000164458153 352810120 /nfs/dbraw/zinc/81/01/20/352810120.db2.gz KNFRHODKEQNYRO-UHFFFAOYSA-N 2 2 241.335 -0.342 20 0 BBADLP CCOCC[NH+]1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000164459608 352859214 /nfs/dbraw/zinc/85/92/14/352859214.db2.gz QTHIZZMUIXLFIV-UHFFFAOYSA-N 2 2 243.351 -0.096 20 0 BBADLP CCOCC[NH+]1CCN(C(=O)C[NH2+]C)CC1 ZINC000164465662 352887061 /nfs/dbraw/zinc/88/70/61/352887061.db2.gz NHBZLLCNIWIYRE-UHFFFAOYSA-N 2 2 229.324 -0.614 20 0 BBADLP CCOCC[NH+]1CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000164466332 352867394 /nfs/dbraw/zinc/86/73/94/352867394.db2.gz QVBYKXVAFSGBCO-SNVBAGLBSA-N 2 2 229.324 -0.486 20 0 BBADLP CCOCC[NH+]1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000164466445 352868109 /nfs/dbraw/zinc/86/81/09/352868109.db2.gz QVBYKXVAFSGBCO-JTQLQIEISA-N 2 2 229.324 -0.486 20 0 BBADLP CCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CC)CC1 ZINC000164466736 487840145 /nfs/dbraw/zinc/84/01/45/487840145.db2.gz QBTFRUMLGCVOIP-NSHDSACASA-N 2 2 243.351 -0.096 20 0 BBADLP CCOCC[NH+]1CCN(C(=O)[C@H]([NH3+])CC)CC1 ZINC000164466856 323077282 /nfs/dbraw/zinc/07/72/82/323077282.db2.gz QBTFRUMLGCVOIP-LLVKDONJSA-N 2 2 243.351 -0.096 20 0 BBADLP [NH3+]CC(F)(F)CNC(=O)CCn1cc[nH+]c1 ZINC000164902506 181357536 /nfs/dbraw/zinc/35/75/36/181357536.db2.gz LYJAVYIUYACBTP-UHFFFAOYSA-N 2 2 232.234 -0.017 20 0 BBADLP C[C@@H](CNC(=O)C(C)(C)C[NH3+])[NH+]1CCOCC1 ZINC000164912782 203381625 /nfs/dbraw/zinc/38/16/25/203381625.db2.gz IAOTWGRQAUROJN-JTQLQIEISA-N 2 2 243.351 -0.192 20 0 BBADLP C[C@H](CNC(=O)C(C)(C)C[NH3+])[NH+]1CCOCC1 ZINC000164912887 387332722 /nfs/dbraw/zinc/33/27/22/387332722.db2.gz IAOTWGRQAUROJN-SNVBAGLBSA-N 2 2 243.351 -0.192 20 0 BBADLP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000164913445 385323569 /nfs/dbraw/zinc/32/35/69/385323569.db2.gz SCWDIFHJGFOKEF-QWRGUYRKSA-N 2 2 241.335 -0.425 20 0 BBADLP C[C@H](CNC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000164913532 385322142 /nfs/dbraw/zinc/32/21/42/385322142.db2.gz SCWDIFHJGFOKEF-MNOVXSKESA-N 2 2 241.335 -0.425 20 0 BBADLP C[C@@H](CNC(=O)[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000164915419 385323306 /nfs/dbraw/zinc/32/33/06/385323306.db2.gz LRHHKBOEZPMCEK-WDEREUQCSA-N 2 2 241.335 -0.567 20 0 BBADLP C[C@H](CNC(=O)[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000164915502 386427887 /nfs/dbraw/zinc/42/78/87/386427887.db2.gz LRHHKBOEZPMCEK-GHMZBOCLSA-N 2 2 241.335 -0.567 20 0 BBADLP C[C@@H](CNC(=O)[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000164915587 385321847 /nfs/dbraw/zinc/32/18/47/385321847.db2.gz LRHHKBOEZPMCEK-QWRGUYRKSA-N 2 2 241.335 -0.567 20 0 BBADLP C[C@H](CNC(=O)[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000164915675 385323513 /nfs/dbraw/zinc/32/35/13/385323513.db2.gz LRHHKBOEZPMCEK-MNOVXSKESA-N 2 2 241.335 -0.567 20 0 BBADLP C[C@@H]([NH3+])[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000165012534 385339928 /nfs/dbraw/zinc/33/99/28/385339928.db2.gz PDLFBZYCVDJPIX-VHSXEESVSA-N 2 2 229.324 -0.582 20 0 BBADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000165012659 385339842 /nfs/dbraw/zinc/33/98/42/385339842.db2.gz PDLFBZYCVDJPIX-NXEZZACHSA-N 2 2 229.324 -0.582 20 0 BBADLP C[C@H]([NH3+])[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000165012785 385339061 /nfs/dbraw/zinc/33/90/61/385339061.db2.gz PDLFBZYCVDJPIX-UWVGGRQHSA-N 2 2 229.324 -0.582 20 0 BBADLP C[C@@H](C(=O)NCC[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000165012899 385340144 /nfs/dbraw/zinc/34/01/44/385340144.db2.gz PDLFBZYCVDJPIX-ZJUUUORDSA-N 2 2 229.324 -0.582 20 0 BBADLP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000165108041 386660201 /nfs/dbraw/zinc/66/02/01/386660201.db2.gz ZMXAIBIOWZEALA-VHSXEESVSA-N 2 2 229.324 -0.894 20 0 BBADLP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000165108141 385350878 /nfs/dbraw/zinc/35/08/78/385350878.db2.gz ZMXAIBIOWZEALA-NXEZZACHSA-N 2 2 229.324 -0.894 20 0 BBADLP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000165108225 385351123 /nfs/dbraw/zinc/35/11/23/385351123.db2.gz ZMXAIBIOWZEALA-UWVGGRQHSA-N 2 2 229.324 -0.894 20 0 BBADLP C[C@@H](C(=O)N1CC[NH+](CCO)CC1)[C@H](C)[NH3+] ZINC000165108298 385350810 /nfs/dbraw/zinc/35/08/10/385350810.db2.gz ZMXAIBIOWZEALA-ZJUUUORDSA-N 2 2 229.324 -0.894 20 0 BBADLP C[C@@H]([NH3+])[C@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000165363874 361838340 /nfs/dbraw/zinc/83/83/40/361838340.db2.gz MRFAGXOYLSLPIE-DTWKUNHWSA-N 2 2 210.281 -0.017 20 0 BBADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000165363995 361838922 /nfs/dbraw/zinc/83/89/22/361838922.db2.gz MRFAGXOYLSLPIE-RKDXNWHRSA-N 2 2 210.281 -0.017 20 0 BBADLP C[C@H]([NH3+])[C@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000165364126 361838808 /nfs/dbraw/zinc/83/88/08/361838808.db2.gz MRFAGXOYLSLPIE-IUCAKERBSA-N 2 2 210.281 -0.017 20 0 BBADLP C[C@@H](C(=O)NCCn1cc[nH+]c1)[C@H](C)[NH3+] ZINC000165364248 133654007 /nfs/dbraw/zinc/65/40/07/133654007.db2.gz MRFAGXOYLSLPIE-BDAKNGLRSA-N 2 2 210.281 -0.017 20 0 BBADLP Cn1c[nH+]cc1CN1CCO[C@H](C[NH3+])C1 ZINC000165515962 388252683 /nfs/dbraw/zinc/25/26/83/388252683.db2.gz ASZFAVHFWKYHQI-SNVBAGLBSA-N 2 2 210.281 -0.420 20 0 BBADLP Cn1c[nH+]cc1CN1CCO[C@@H](C[NH3+])C1 ZINC000165516104 388253164 /nfs/dbraw/zinc/25/31/64/388253164.db2.gz ASZFAVHFWKYHQI-JTQLQIEISA-N 2 2 210.281 -0.420 20 0 BBADLP COC[C@@H](C)C[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000165604114 343211717 /nfs/dbraw/zinc/21/17/17/343211717.db2.gz IUJXJHMAJBIWTQ-VHSXEESVSA-N 2 2 202.298 -0.072 20 0 BBADLP COC[C@@H](C)C[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000165604114 343211716 /nfs/dbraw/zinc/21/17/16/343211716.db2.gz IUJXJHMAJBIWTQ-VHSXEESVSA-N 2 2 202.298 -0.072 20 0 BBADLP COC[C@H](C)C[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000165604231 343211704 /nfs/dbraw/zinc/21/17/04/343211704.db2.gz IUJXJHMAJBIWTQ-NXEZZACHSA-N 2 2 202.298 -0.072 20 0 BBADLP COC[C@H](C)C[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000165604231 343211703 /nfs/dbraw/zinc/21/17/03/343211703.db2.gz IUJXJHMAJBIWTQ-NXEZZACHSA-N 2 2 202.298 -0.072 20 0 BBADLP COC(=O)CC[N@@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000165664642 346655842 /nfs/dbraw/zinc/65/58/42/346655842.db2.gz PDEFWJFTJFINMV-VHSXEESVSA-N 2 2 230.308 -0.012 20 0 BBADLP COC(=O)CC[N@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000165664642 346655837 /nfs/dbraw/zinc/65/58/37/346655837.db2.gz PDEFWJFTJFINMV-VHSXEESVSA-N 2 2 230.308 -0.012 20 0 BBADLP COC(=O)CC[N@@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000165664766 343955428 /nfs/dbraw/zinc/95/54/28/343955428.db2.gz PDEFWJFTJFINMV-UWVGGRQHSA-N 2 2 230.308 -0.012 20 0 BBADLP COC(=O)CC[N@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000165664766 343955426 /nfs/dbraw/zinc/95/54/26/343955426.db2.gz PDEFWJFTJFINMV-UWVGGRQHSA-N 2 2 230.308 -0.012 20 0 BBADLP C[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000165681960 353446187 /nfs/dbraw/zinc/44/61/87/353446187.db2.gz MOSLZTVXGXHNPL-WDEREUQCSA-N 2 2 241.335 -0.343 20 0 BBADLP C[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000165682096 135508792 /nfs/dbraw/zinc/50/87/92/135508792.db2.gz MOSLZTVXGXHNPL-GHMZBOCLSA-N 2 2 241.335 -0.343 20 0 BBADLP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000165682220 353446140 /nfs/dbraw/zinc/44/61/40/353446140.db2.gz MOSLZTVXGXHNPL-QWRGUYRKSA-N 2 2 241.335 -0.343 20 0 BBADLP C[C@@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000165682354 353446309 /nfs/dbraw/zinc/44/63/09/353446309.db2.gz MOSLZTVXGXHNPL-MNOVXSKESA-N 2 2 241.335 -0.343 20 0 BBADLP CC1(OCC(=O)NCc2[nH]cc[nH+]2)C[NH2+]C1 ZINC000165853648 488047094 /nfs/dbraw/zinc/04/70/94/488047094.db2.gz BQMFGYKCQRNGAY-UHFFFAOYSA-N 2 2 224.264 -0.596 20 0 BBADLP COC[C@@H](O)C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000166126385 711826793 /nfs/dbraw/zinc/82/67/93/711826793.db2.gz MJHSSIZMUJPVLJ-AXFHLTTASA-N 2 2 232.324 -0.650 20 0 BBADLP COC[C@@H](O)C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000166126504 711826822 /nfs/dbraw/zinc/82/68/22/711826822.db2.gz MJHSSIZMUJPVLJ-MXWKQRLJSA-N 2 2 232.324 -0.650 20 0 BBADLP COC[C@@H](O)C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000166126607 633107566 /nfs/dbraw/zinc/10/75/66/633107566.db2.gz MJHSSIZMUJPVLJ-DCAQKATOSA-N 2 2 232.324 -0.650 20 0 BBADLP COC[C@@H](O)C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000166126735 633107310 /nfs/dbraw/zinc/10/73/10/633107310.db2.gz MJHSSIZMUJPVLJ-VWYCJHECSA-N 2 2 232.324 -0.650 20 0 BBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000166210125 136305146 /nfs/dbraw/zinc/30/51/46/136305146.db2.gz OUXBADKCVCPYEP-JGVFFNPUSA-N 2 2 228.296 -0.889 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000166210125 136305145 /nfs/dbraw/zinc/30/51/45/136305145.db2.gz OUXBADKCVCPYEP-JGVFFNPUSA-N 2 2 228.296 -0.889 20 0 BBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000166210251 136305023 /nfs/dbraw/zinc/30/50/23/136305023.db2.gz OUXBADKCVCPYEP-HTQZYQBOSA-N 2 2 228.296 -0.889 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000166210251 136305022 /nfs/dbraw/zinc/30/50/22/136305022.db2.gz OUXBADKCVCPYEP-HTQZYQBOSA-N 2 2 228.296 -0.889 20 0 BBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000166210393 136304982 /nfs/dbraw/zinc/30/49/82/136304982.db2.gz OUXBADKCVCPYEP-YUMQZZPRSA-N 2 2 228.296 -0.889 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000166210393 136304981 /nfs/dbraw/zinc/30/49/81/136304981.db2.gz OUXBADKCVCPYEP-YUMQZZPRSA-N 2 2 228.296 -0.889 20 0 BBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166210490 136305348 /nfs/dbraw/zinc/30/53/48/136305348.db2.gz OUXBADKCVCPYEP-SFYZADRCSA-N 2 2 228.296 -0.889 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166210490 136305347 /nfs/dbraw/zinc/30/53/47/136305347.db2.gz OUXBADKCVCPYEP-SFYZADRCSA-N 2 2 228.296 -0.889 20 0 BBADLP [NH3+]CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000167149795 181350158 /nfs/dbraw/zinc/35/01/58/181350158.db2.gz QFPUNCPEWABMTE-UHFFFAOYSA-N 2 2 249.314 -0.005 20 0 BBADLP CC[NH+]1CCC([NH2+]C[C@H](O)C[NH+](C)C)CC1 ZINC000167428949 385313102 /nfs/dbraw/zinc/31/31/02/385313102.db2.gz XRIMFGZPBUHSQE-LBPRGKRZSA-N 3 2 229.368 -0.017 20 0 BBADLP CC[NH+]1CCC([NH2+]C[C@@H](O)C[NH+](C)C)CC1 ZINC000167429068 355993628 /nfs/dbraw/zinc/99/36/28/355993628.db2.gz XRIMFGZPBUHSQE-GFCCVEGCSA-N 3 2 229.368 -0.017 20 0 BBADLP C[C@@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000167689522 134153630 /nfs/dbraw/zinc/15/36/30/134153630.db2.gz JWEOOXBLBAKFCH-KXUCPTDWSA-N 2 2 229.324 -0.441 20 0 BBADLP C[C@@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000167689626 134153838 /nfs/dbraw/zinc/15/38/38/134153838.db2.gz JWEOOXBLBAKFCH-OPRDCNLKSA-N 2 2 229.324 -0.441 20 0 BBADLP C[C@@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000167689733 134153662 /nfs/dbraw/zinc/15/36/62/134153662.db2.gz JWEOOXBLBAKFCH-UTLUCORTSA-N 2 2 229.324 -0.441 20 0 BBADLP C[C@@H]([NH3+])C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000167689826 134153543 /nfs/dbraw/zinc/15/35/43/134153543.db2.gz JWEOOXBLBAKFCH-BBBLOLIVSA-N 2 2 229.324 -0.441 20 0 BBADLP C[C@H]([C@H](C)NC(=O)[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000167692145 134154046 /nfs/dbraw/zinc/15/40/46/134154046.db2.gz JWEOOXBLBAKFCH-LPEHRKFASA-N 2 2 229.324 -0.441 20 0 BBADLP C[C@@H](NC(=O)[C@H](C)[NH3+])[C@@H](C)[NH+]1CCOCC1 ZINC000167692258 134153861 /nfs/dbraw/zinc/15/38/61/134153861.db2.gz JWEOOXBLBAKFCH-IVZWLZJFSA-N 2 2 229.324 -0.441 20 0 BBADLP C[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000167692369 134153705 /nfs/dbraw/zinc/15/37/05/134153705.db2.gz JWEOOXBLBAKFCH-GUBZILKMSA-N 2 2 229.324 -0.441 20 0 BBADLP C[C@@H](NC(=O)[C@H](C)[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000167692466 134153933 /nfs/dbraw/zinc/15/39/33/134153933.db2.gz JWEOOXBLBAKFCH-AEJSXWLSSA-N 2 2 229.324 -0.441 20 0 BBADLP CC1(OCC(=O)NCc2c[nH]c[nH+]2)C[NH2+]C1 ZINC000168758842 487540692 /nfs/dbraw/zinc/54/06/92/487540692.db2.gz DKBURKJHHWNZCP-UHFFFAOYSA-N 2 2 224.264 -0.596 20 0 BBADLP CC1(OCC(=O)NCc2c[nH+]c[nH]2)C[NH2+]C1 ZINC000168758842 487540685 /nfs/dbraw/zinc/54/06/85/487540685.db2.gz DKBURKJHHWNZCP-UHFFFAOYSA-N 2 2 224.264 -0.596 20 0 BBADLP C[C@@H](C[NH+](C)C)NC[C@H](O)C[NH+]1CCOCC1 ZINC000168856793 365019852 /nfs/dbraw/zinc/01/98/52/365019852.db2.gz VPNPWTBGINZLMX-RYUDHWBXSA-N 2 2 245.367 -0.781 20 0 BBADLP C[C@@H](C[NH+](C)C)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000168856987 365014660 /nfs/dbraw/zinc/01/46/60/365014660.db2.gz VPNPWTBGINZLMX-NWDGAFQWSA-N 2 2 245.367 -0.781 20 0 BBADLP CCOC[C@H](O)C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000168917926 640831257 /nfs/dbraw/zinc/83/12/57/640831257.db2.gz DYBPRFLGBKKWQB-NXEZZACHSA-N 2 2 202.298 -0.193 20 0 BBADLP CCOC[C@H](O)C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000168917926 640831256 /nfs/dbraw/zinc/83/12/56/640831256.db2.gz DYBPRFLGBKKWQB-NXEZZACHSA-N 2 2 202.298 -0.193 20 0 BBADLP CCOC[C@@H](O)C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000168918008 640831202 /nfs/dbraw/zinc/83/12/02/640831202.db2.gz DYBPRFLGBKKWQB-ZJUUUORDSA-N 2 2 202.298 -0.193 20 0 BBADLP CCOC[C@@H](O)C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000168918008 640831199 /nfs/dbraw/zinc/83/11/99/640831199.db2.gz DYBPRFLGBKKWQB-ZJUUUORDSA-N 2 2 202.298 -0.193 20 0 BBADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC(C)(C)O)CCO1 ZINC000169167339 487561718 /nfs/dbraw/zinc/56/17/18/487561718.db2.gz ZBOVIDYVGVJWRN-IUCAKERBSA-N 2 2 202.298 -0.195 20 0 BBADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CC(C)(C)O)CCO1 ZINC000169167339 487561711 /nfs/dbraw/zinc/56/17/11/487561711.db2.gz ZBOVIDYVGVJWRN-IUCAKERBSA-N 2 2 202.298 -0.195 20 0 BBADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CC(C)(C)O)CCO1 ZINC000169167422 487561921 /nfs/dbraw/zinc/56/19/21/487561921.db2.gz ZBOVIDYVGVJWRN-BDAKNGLRSA-N 2 2 202.298 -0.195 20 0 BBADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](CC(C)(C)O)CCO1 ZINC000169167422 487561916 /nfs/dbraw/zinc/56/19/16/487561916.db2.gz ZBOVIDYVGVJWRN-BDAKNGLRSA-N 2 2 202.298 -0.195 20 0 BBADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CC(C)(C)O)CCO1 ZINC000169167498 487561894 /nfs/dbraw/zinc/56/18/94/487561894.db2.gz ZBOVIDYVGVJWRN-DTWKUNHWSA-N 2 2 202.298 -0.195 20 0 BBADLP C[C@H]([NH3+])[C@H]1C[N@H+](CC(C)(C)O)CCO1 ZINC000169167498 487561890 /nfs/dbraw/zinc/56/18/90/487561890.db2.gz ZBOVIDYVGVJWRN-DTWKUNHWSA-N 2 2 202.298 -0.195 20 0 BBADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CC(C)(C)O)CCO1 ZINC000169167578 487650543 /nfs/dbraw/zinc/65/05/43/487650543.db2.gz ZBOVIDYVGVJWRN-RKDXNWHRSA-N 2 2 202.298 -0.195 20 0 BBADLP C[C@@H]([NH3+])[C@H]1C[N@H+](CC(C)(C)O)CCO1 ZINC000169167578 487650536 /nfs/dbraw/zinc/65/05/36/487650536.db2.gz ZBOVIDYVGVJWRN-RKDXNWHRSA-N 2 2 202.298 -0.195 20 0 BBADLP CC[C@H](O)C[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000169181086 633158427 /nfs/dbraw/zinc/15/84/27/633158427.db2.gz LPCRSIHAXOKDHL-UTLUCORTSA-N 2 2 202.298 -0.195 20 0 BBADLP CC[C@H](O)C[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000169181086 633158423 /nfs/dbraw/zinc/15/84/23/633158423.db2.gz LPCRSIHAXOKDHL-UTLUCORTSA-N 2 2 202.298 -0.195 20 0 BBADLP C[C@H]([NH3+])[C@@H]1CN(Cc2[nH+]ccn2C)CCO1 ZINC000169186301 487563444 /nfs/dbraw/zinc/56/34/44/487563444.db2.gz IKEGNFXRTUDRPJ-UWVGGRQHSA-N 2 2 224.308 -0.032 20 0 BBADLP C[C@@H]([NH3+])[C@@H]1CN(Cc2[nH+]ccn2C)CCO1 ZINC000169186381 487650427 /nfs/dbraw/zinc/65/04/27/487650427.db2.gz IKEGNFXRTUDRPJ-ZJUUUORDSA-N 2 2 224.308 -0.032 20 0 BBADLP C[C@H]([NH3+])[C@H]1CN(Cc2[nH+]ccn2C)CCO1 ZINC000169186441 487563403 /nfs/dbraw/zinc/56/34/03/487563403.db2.gz IKEGNFXRTUDRPJ-VHSXEESVSA-N 2 2 224.308 -0.032 20 0 BBADLP C[C@@H]([NH3+])[C@H]1CN(Cc2[nH+]ccn2C)CCO1 ZINC000169186523 487563386 /nfs/dbraw/zinc/56/33/86/487563386.db2.gz IKEGNFXRTUDRPJ-NXEZZACHSA-N 2 2 224.308 -0.032 20 0 BBADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCC(=O)N(C)C)CCO1 ZINC000169199921 582569200 /nfs/dbraw/zinc/56/92/00/582569200.db2.gz YJRWRPKTHPGNII-UWVGGRQHSA-N 2 2 229.324 -0.487 20 0 BBADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCC(=O)N(C)C)CCO1 ZINC000169199921 582569197 /nfs/dbraw/zinc/56/91/97/582569197.db2.gz YJRWRPKTHPGNII-UWVGGRQHSA-N 2 2 229.324 -0.487 20 0 BBADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCC(=O)N(C)C)CCO1 ZINC000169200009 538115090 /nfs/dbraw/zinc/11/50/90/538115090.db2.gz YJRWRPKTHPGNII-ZJUUUORDSA-N 2 2 229.324 -0.487 20 0 BBADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCC(=O)N(C)C)CCO1 ZINC000169200009 538115089 /nfs/dbraw/zinc/11/50/89/538115089.db2.gz YJRWRPKTHPGNII-ZJUUUORDSA-N 2 2 229.324 -0.487 20 0 BBADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CCC(=O)N(C)C)CCO1 ZINC000169200089 582568594 /nfs/dbraw/zinc/56/85/94/582568594.db2.gz YJRWRPKTHPGNII-VHSXEESVSA-N 2 2 229.324 -0.487 20 0 BBADLP C[C@H]([NH3+])[C@H]1C[N@H+](CCC(=O)N(C)C)CCO1 ZINC000169200089 582568591 /nfs/dbraw/zinc/56/85/91/582568591.db2.gz YJRWRPKTHPGNII-VHSXEESVSA-N 2 2 229.324 -0.487 20 0 BBADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCC(=O)N(C)C)CCO1 ZINC000169200169 582569101 /nfs/dbraw/zinc/56/91/01/582569101.db2.gz YJRWRPKTHPGNII-NXEZZACHSA-N 2 2 229.324 -0.487 20 0 BBADLP C[C@@H]([NH3+])[C@H]1C[N@H+](CCC(=O)N(C)C)CCO1 ZINC000169200169 582569097 /nfs/dbraw/zinc/56/90/97/582569097.db2.gz YJRWRPKTHPGNII-NXEZZACHSA-N 2 2 229.324 -0.487 20 0 BBADLP C[C@@H](C(=O)N(C)CC[NH+](C)C)[NH+]1CCOCC1 ZINC000169819735 397817338 /nfs/dbraw/zinc/81/73/38/397817338.db2.gz XOKKPVUXBZMYRS-NSHDSACASA-N 2 2 243.351 -0.273 20 0 BBADLP C[C@H](C(=O)N(C)CC[NH+](C)C)[NH+]1CCOCC1 ZINC000169819737 398032274 /nfs/dbraw/zinc/03/22/74/398032274.db2.gz XOKKPVUXBZMYRS-LLVKDONJSA-N 2 2 243.351 -0.273 20 0 BBADLP C[NH+](C)CC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000170761247 364168723 /nfs/dbraw/zinc/16/87/23/364168723.db2.gz NJEJAKREUIDBSA-UHFFFAOYSA-N 2 2 243.351 -0.225 20 0 BBADLP C[NH+](C)CC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000170761247 364168718 /nfs/dbraw/zinc/16/87/18/364168718.db2.gz NJEJAKREUIDBSA-UHFFFAOYSA-N 2 2 243.351 -0.225 20 0 BBADLP CN(CC[NH+]1CCOCC1)C(=O)C[NH+](C)C ZINC000170763678 346445936 /nfs/dbraw/zinc/44/59/36/346445936.db2.gz NBQZGYWGWKGWTJ-UHFFFAOYSA-N 2 2 229.324 -0.661 20 0 BBADLP C[NH+](C)CC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170861147 346461932 /nfs/dbraw/zinc/46/19/32/346461932.db2.gz FNALRWGUJBBWDY-UHFFFAOYSA-N 2 2 243.351 -0.225 20 0 BBADLP C[NH+](C)CC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170861147 346461929 /nfs/dbraw/zinc/46/19/29/346461929.db2.gz FNALRWGUJBBWDY-UHFFFAOYSA-N 2 2 243.351 -0.225 20 0 BBADLP C[NH+](C)CC(=O)NCCCn1cc[nH+]c1 ZINC000171178971 385471899 /nfs/dbraw/zinc/47/18/99/385471899.db2.gz INGBSFSOXHCUJN-UHFFFAOYSA-N 2 2 210.281 -0.049 20 0 BBADLP C[NH+](C)CC(=O)NCCC[NH+]1CCOCC1 ZINC000171179027 372421063 /nfs/dbraw/zinc/42/10/63/372421063.db2.gz NNRGMAAICSBZHG-UHFFFAOYSA-N 2 2 229.324 -0.614 20 0 BBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[NH+](C)C ZINC000171378176 365194528 /nfs/dbraw/zinc/19/45/28/365194528.db2.gz IDIKWQWMWXGQHN-JTQLQIEISA-N 2 2 229.324 -0.615 20 0 BBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[NH+](C)C ZINC000171378181 365194643 /nfs/dbraw/zinc/19/46/43/365194643.db2.gz IDIKWQWMWXGQHN-SNVBAGLBSA-N 2 2 229.324 -0.615 20 0 BBADLP C[NH+](C)CC(=O)NCCCC[NH+]1CCOCC1 ZINC000171379481 372563450 /nfs/dbraw/zinc/56/34/50/372563450.db2.gz JJTJDODKXZVXST-UHFFFAOYSA-N 2 2 243.351 -0.223 20 0 BBADLP C[NH+](C)CC(=O)N1CC[NH+](C2CC2)CC1 ZINC000171400343 372569754 /nfs/dbraw/zinc/56/97/54/372569754.db2.gz XZCDWQCEKWBVRC-UHFFFAOYSA-N 2 2 211.309 -0.145 20 0 BBADLP C[NH+]1CCO[C@H](C(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000173611154 536439166 /nfs/dbraw/zinc/43/91/66/536439166.db2.gz KBPLSSROMUUOJT-NSHDSACASA-N 2 2 241.335 -0.519 20 0 BBADLP C[NH+]1CCO[C@H](C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000173611154 536439165 /nfs/dbraw/zinc/43/91/65/536439165.db2.gz KBPLSSROMUUOJT-NSHDSACASA-N 2 2 241.335 -0.519 20 0 BBADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[NH+](C)CC2)C1 ZINC000173611154 536439164 /nfs/dbraw/zinc/43/91/64/536439164.db2.gz KBPLSSROMUUOJT-NSHDSACASA-N 2 2 241.335 -0.519 20 0 BBADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[NH+](C)CC2)C1 ZINC000173611154 536439160 /nfs/dbraw/zinc/43/91/60/536439160.db2.gz KBPLSSROMUUOJT-NSHDSACASA-N 2 2 241.335 -0.519 20 0 BBADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000173611172 536432495 /nfs/dbraw/zinc/43/24/95/536432495.db2.gz KBPLSSROMUUOJT-LLVKDONJSA-N 2 2 241.335 -0.519 20 0 BBADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000173611172 536432494 /nfs/dbraw/zinc/43/24/94/536432494.db2.gz KBPLSSROMUUOJT-LLVKDONJSA-N 2 2 241.335 -0.519 20 0 BBADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[NH+](C)CC2)C1 ZINC000173611172 536432492 /nfs/dbraw/zinc/43/24/92/536432492.db2.gz KBPLSSROMUUOJT-LLVKDONJSA-N 2 2 241.335 -0.519 20 0 BBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH+](C)CC2)C1 ZINC000173611172 536432490 /nfs/dbraw/zinc/43/24/90/536432490.db2.gz KBPLSSROMUUOJT-LLVKDONJSA-N 2 2 241.335 -0.519 20 0 BBADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000173909611 357382697 /nfs/dbraw/zinc/38/26/97/357382697.db2.gz RYWSRKDXRJXXBV-VIFPVBQESA-N 2 2 242.323 -0.545 20 0 BBADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC000173909611 357382694 /nfs/dbraw/zinc/38/26/94/357382694.db2.gz RYWSRKDXRJXXBV-VIFPVBQESA-N 2 2 242.323 -0.545 20 0 BBADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC000173909611 357382687 /nfs/dbraw/zinc/38/26/87/357382687.db2.gz RYWSRKDXRJXXBV-VIFPVBQESA-N 2 2 242.323 -0.545 20 0 BBADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC000173909611 357382683 /nfs/dbraw/zinc/38/26/83/357382683.db2.gz RYWSRKDXRJXXBV-VIFPVBQESA-N 2 2 242.323 -0.545 20 0 BBADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000173909627 134276644 /nfs/dbraw/zinc/27/66/44/134276644.db2.gz RYWSRKDXRJXXBV-SECBINFHSA-N 2 2 242.323 -0.545 20 0 BBADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC000173909627 134276643 /nfs/dbraw/zinc/27/66/43/134276643.db2.gz RYWSRKDXRJXXBV-SECBINFHSA-N 2 2 242.323 -0.545 20 0 BBADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC000173909627 134276642 /nfs/dbraw/zinc/27/66/42/134276642.db2.gz RYWSRKDXRJXXBV-SECBINFHSA-N 2 2 242.323 -0.545 20 0 BBADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC000173909627 134276641 /nfs/dbraw/zinc/27/66/41/134276641.db2.gz RYWSRKDXRJXXBV-SECBINFHSA-N 2 2 242.323 -0.545 20 0 BBADLP C[N@H+]1CCO[C@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000173945019 173108155 /nfs/dbraw/zinc/10/81/55/173108155.db2.gz AMMHJNAZZJJIHQ-JTQLQIEISA-N 2 2 238.291 -0.670 20 0 BBADLP C[N@@H+]1CCO[C@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000173945019 173108151 /nfs/dbraw/zinc/10/81/51/173108151.db2.gz AMMHJNAZZJJIHQ-JTQLQIEISA-N 2 2 238.291 -0.670 20 0 BBADLP C[N@H+]1CCO[C@@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000173945033 173100372 /nfs/dbraw/zinc/10/03/72/173100372.db2.gz AMMHJNAZZJJIHQ-SNVBAGLBSA-N 2 2 238.291 -0.670 20 0 BBADLP C[N@@H+]1CCO[C@@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000173945033 173100371 /nfs/dbraw/zinc/10/03/71/173100371.db2.gz AMMHJNAZZJJIHQ-SNVBAGLBSA-N 2 2 238.291 -0.670 20 0 BBADLP COC(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174715132 533477493 /nfs/dbraw/zinc/47/74/93/533477493.db2.gz YJXJEJSYZGSPMU-UHFFFAOYSA-N 2 2 243.351 -0.271 20 0 BBADLP COC(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174715132 533477488 /nfs/dbraw/zinc/47/74/88/533477488.db2.gz YJXJEJSYZGSPMU-UHFFFAOYSA-N 2 2 243.351 -0.271 20 0 BBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000175419318 536439630 /nfs/dbraw/zinc/43/96/30/536439630.db2.gz SOSSEMJYDLALGA-JTQLQIEISA-N 2 2 241.335 -0.473 20 0 BBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000175419318 536439629 /nfs/dbraw/zinc/43/96/29/536439629.db2.gz SOSSEMJYDLALGA-JTQLQIEISA-N 2 2 241.335 -0.473 20 0 BBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000175419341 536433839 /nfs/dbraw/zinc/43/38/39/536433839.db2.gz SOSSEMJYDLALGA-SNVBAGLBSA-N 2 2 241.335 -0.473 20 0 BBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000175419341 536433838 /nfs/dbraw/zinc/43/38/38/536433838.db2.gz SOSSEMJYDLALGA-SNVBAGLBSA-N 2 2 241.335 -0.473 20 0 BBADLP NC(=O)[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000176233072 134289505 /nfs/dbraw/zinc/28/95/05/134289505.db2.gz OYKSIIIEDXOAAP-SECBINFHSA-N 2 2 208.265 -0.167 20 0 BBADLP NC(=O)[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000176233072 134289504 /nfs/dbraw/zinc/28/95/04/134289504.db2.gz OYKSIIIEDXOAAP-SECBINFHSA-N 2 2 208.265 -0.167 20 0 BBADLP NC(=O)[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000176233091 134289732 /nfs/dbraw/zinc/28/97/32/134289732.db2.gz OYKSIIIEDXOAAP-VIFPVBQESA-N 2 2 208.265 -0.167 20 0 BBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000176233091 134289731 /nfs/dbraw/zinc/28/97/31/134289731.db2.gz OYKSIIIEDXOAAP-VIFPVBQESA-N 2 2 208.265 -0.167 20 0 BBADLP COCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177136179 134295936 /nfs/dbraw/zinc/29/59/36/134295936.db2.gz LZIFIRMGBJPKRK-UHFFFAOYSA-N 2 2 243.351 -0.225 20 0 BBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(N)=O ZINC000177374385 345905523 /nfs/dbraw/zinc/90/55/23/345905523.db2.gz UHZKNSIJRHZHJZ-UHFFFAOYSA-N 2 2 242.367 -0.571 20 0 BBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(N)=O ZINC000177374385 345905520 /nfs/dbraw/zinc/90/55/20/345905520.db2.gz UHZKNSIJRHZHJZ-UHFFFAOYSA-N 2 2 242.367 -0.571 20 0 BBADLP CN(CC[N@@H+](C)CC(N)=O)C1CC[NH+](C)CC1 ZINC000177374385 345905518 /nfs/dbraw/zinc/90/55/18/345905518.db2.gz UHZKNSIJRHZHJZ-UHFFFAOYSA-N 2 2 242.367 -0.571 20 0 BBADLP CN(CC[N@H+](C)CC(N)=O)C1CC[NH+](C)CC1 ZINC000177374385 345905515 /nfs/dbraw/zinc/90/55/15/345905515.db2.gz UHZKNSIJRHZHJZ-UHFFFAOYSA-N 2 2 242.367 -0.571 20 0 BBADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CCO)CC1 ZINC000177705978 134301840 /nfs/dbraw/zinc/30/18/40/134301840.db2.gz XTPAMSNFUYGYSI-UHFFFAOYSA-N 2 2 241.335 -0.781 20 0 BBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCO)CC1 ZINC000177794920 388491425 /nfs/dbraw/zinc/49/14/25/388491425.db2.gz WEJXMKBKILITQR-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCO)CC1 ZINC000177794920 388491423 /nfs/dbraw/zinc/49/14/23/388491423.db2.gz WEJXMKBKILITQR-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCO)CC1 ZINC000177794931 388490957 /nfs/dbraw/zinc/49/09/57/388490957.db2.gz WEJXMKBKILITQR-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCO)CC1 ZINC000177794931 388490955 /nfs/dbraw/zinc/49/09/55/388490955.db2.gz WEJXMKBKILITQR-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP OCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000177814970 134300232 /nfs/dbraw/zinc/30/02/32/134300232.db2.gz QEWLKMLZSFSHPJ-LLVKDONJSA-N 2 2 214.309 -0.367 20 0 BBADLP OCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000177814970 134300231 /nfs/dbraw/zinc/30/02/31/134300231.db2.gz QEWLKMLZSFSHPJ-LLVKDONJSA-N 2 2 214.309 -0.367 20 0 BBADLP OCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000177814981 134300445 /nfs/dbraw/zinc/30/04/45/134300445.db2.gz QEWLKMLZSFSHPJ-NSHDSACASA-N 2 2 214.309 -0.367 20 0 BBADLP OCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000177814981 134300444 /nfs/dbraw/zinc/30/04/44/134300444.db2.gz QEWLKMLZSFSHPJ-NSHDSACASA-N 2 2 214.309 -0.367 20 0 BBADLP C[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000178305766 385224893 /nfs/dbraw/zinc/22/48/93/385224893.db2.gz XXLQIKRNOQNPEB-VHSXEESVSA-N 2 2 211.309 -0.242 20 0 BBADLP C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000178305766 385224886 /nfs/dbraw/zinc/22/48/86/385224886.db2.gz XXLQIKRNOQNPEB-VHSXEESVSA-N 2 2 211.309 -0.242 20 0 BBADLP C[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000178305774 385224915 /nfs/dbraw/zinc/22/49/15/385224915.db2.gz XXLQIKRNOQNPEB-NXEZZACHSA-N 2 2 211.309 -0.242 20 0 BBADLP C[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000178305774 385224908 /nfs/dbraw/zinc/22/49/08/385224908.db2.gz XXLQIKRNOQNPEB-NXEZZACHSA-N 2 2 211.309 -0.242 20 0 BBADLP C[NH2+]CC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000178744389 134311018 /nfs/dbraw/zinc/31/10/18/134311018.db2.gz VREVEQPOMAZHLD-UHFFFAOYSA-N 2 2 229.324 -0.567 20 0 BBADLP C[NH2+]CC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000178744389 134311017 /nfs/dbraw/zinc/31/10/17/134311017.db2.gz VREVEQPOMAZHLD-UHFFFAOYSA-N 2 2 229.324 -0.567 20 0 BBADLP C[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000178744428 134311003 /nfs/dbraw/zinc/31/10/03/134311003.db2.gz QSQAXUUDSUQSKZ-VIFPVBQESA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000178744428 134311002 /nfs/dbraw/zinc/31/10/02/134311002.db2.gz QSQAXUUDSUQSKZ-VIFPVBQESA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000178744436 134310844 /nfs/dbraw/zinc/31/08/44/134310844.db2.gz QSQAXUUDSUQSKZ-SECBINFHSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000178744436 134310843 /nfs/dbraw/zinc/31/08/43/134310843.db2.gz QSQAXUUDSUQSKZ-SECBINFHSA-N 2 2 229.324 -0.439 20 0 BBADLP CC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000178744692 134310812 /nfs/dbraw/zinc/31/08/12/134310812.db2.gz LRZTZUCKACEJKY-JTQLQIEISA-N 2 2 243.351 -0.049 20 0 BBADLP CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000178744692 134310811 /nfs/dbraw/zinc/31/08/11/134310811.db2.gz LRZTZUCKACEJKY-JTQLQIEISA-N 2 2 243.351 -0.049 20 0 BBADLP CC1(C)C[N@@H+](CCNC(=O)C[NH3+])CCO1 ZINC000178744725 535355314 /nfs/dbraw/zinc/35/53/14/535355314.db2.gz RGVJFKNWHXJICD-UHFFFAOYSA-N 2 2 215.297 -0.828 20 0 BBADLP CC1(C)C[N@H+](CCNC(=O)C[NH3+])CCO1 ZINC000178744725 535355311 /nfs/dbraw/zinc/35/53/11/535355311.db2.gz RGVJFKNWHXJICD-UHFFFAOYSA-N 2 2 215.297 -0.828 20 0 BBADLP C[NH2+]CC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000178763297 134311447 /nfs/dbraw/zinc/31/14/47/134311447.db2.gz AUACXIBYVYIJRC-UHFFFAOYSA-N 2 2 229.324 -0.567 20 0 BBADLP C[NH2+]CC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000178763297 134311446 /nfs/dbraw/zinc/31/14/46/134311446.db2.gz AUACXIBYVYIJRC-UHFFFAOYSA-N 2 2 229.324 -0.567 20 0 BBADLP C[C@H]([NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000178763339 134311208 /nfs/dbraw/zinc/31/12/08/134311208.db2.gz SXAKIDQYBQUHCV-VIFPVBQESA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000178763339 134311207 /nfs/dbraw/zinc/31/12/07/134311207.db2.gz SXAKIDQYBQUHCV-VIFPVBQESA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000178763351 134311490 /nfs/dbraw/zinc/31/14/90/134311490.db2.gz SXAKIDQYBQUHCV-SECBINFHSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000178763351 134311489 /nfs/dbraw/zinc/31/14/89/134311489.db2.gz SXAKIDQYBQUHCV-SECBINFHSA-N 2 2 229.324 -0.439 20 0 BBADLP CC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000178763705 134311339 /nfs/dbraw/zinc/31/13/39/134311339.db2.gz KLTOBSVEXVZLCN-JTQLQIEISA-N 2 2 243.351 -0.049 20 0 BBADLP CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000178763705 134311338 /nfs/dbraw/zinc/31/13/38/134311338.db2.gz KLTOBSVEXVZLCN-JTQLQIEISA-N 2 2 243.351 -0.049 20 0 BBADLP CC1(C)COCC[N@H+]1CCNC(=O)C[NH3+] ZINC000178763736 535361326 /nfs/dbraw/zinc/36/13/26/535361326.db2.gz RKZPBHJDYWSFMP-UHFFFAOYSA-N 2 2 215.297 -0.828 20 0 BBADLP CC1(C)COCC[N@@H+]1CCNC(=O)C[NH3+] ZINC000178763736 535361322 /nfs/dbraw/zinc/36/13/22/535361322.db2.gz RKZPBHJDYWSFMP-UHFFFAOYSA-N 2 2 215.297 -0.828 20 0 BBADLP CC1(C)COCC[N@H+]1CCNC(=O)CC[NH3+] ZINC000178763977 346965274 /nfs/dbraw/zinc/96/52/74/346965274.db2.gz GOVSRRSGPJSOCC-UHFFFAOYSA-N 2 2 229.324 -0.438 20 0 BBADLP CC1(C)COCC[N@@H+]1CCNC(=O)CC[NH3+] ZINC000178763977 346965273 /nfs/dbraw/zinc/96/52/73/346965273.db2.gz GOVSRRSGPJSOCC-UHFFFAOYSA-N 2 2 229.324 -0.438 20 0 BBADLP CC1(C)COCC[N@H+]1CCNC(=O)CCC[NH3+] ZINC000178763991 535360446 /nfs/dbraw/zinc/36/04/46/535360446.db2.gz YPBSQVPTZJZSHY-UHFFFAOYSA-N 2 2 243.351 -0.048 20 0 BBADLP CC1(C)COCC[N@@H+]1CCNC(=O)CCC[NH3+] ZINC000178763991 535360444 /nfs/dbraw/zinc/36/04/44/535360444.db2.gz YPBSQVPTZJZSHY-UHFFFAOYSA-N 2 2 243.351 -0.048 20 0 BBADLP C[NH2+]CC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000178860969 134315827 /nfs/dbraw/zinc/31/58/27/134315827.db2.gz PLLOJKATQUAEII-MNOVXSKESA-N 2 2 241.335 -0.615 20 0 BBADLP C[NH2+]CC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000178860979 134315436 /nfs/dbraw/zinc/31/54/36/134315436.db2.gz PLLOJKATQUAEII-QWRGUYRKSA-N 2 2 241.335 -0.615 20 0 BBADLP C[NH2+]CC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000178860989 134315635 /nfs/dbraw/zinc/31/56/35/134315635.db2.gz PLLOJKATQUAEII-GHMZBOCLSA-N 2 2 241.335 -0.615 20 0 BBADLP C[NH2+]CC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000178861000 134315802 /nfs/dbraw/zinc/31/58/02/134315802.db2.gz PLLOJKATQUAEII-WDEREUQCSA-N 2 2 241.335 -0.615 20 0 BBADLP C[C@@H]([NH3+])C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000178861062 134315848 /nfs/dbraw/zinc/31/58/48/134315848.db2.gz QVYFJXMDUBFLKN-MXWKQRLJSA-N 2 2 241.335 -0.487 20 0 BBADLP C[C@@H]([NH3+])C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000178861073 134315776 /nfs/dbraw/zinc/31/57/76/134315776.db2.gz QVYFJXMDUBFLKN-AXFHLTTASA-N 2 2 241.335 -0.487 20 0 BBADLP C[C@@H]([NH3+])C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000178861087 134315771 /nfs/dbraw/zinc/31/57/71/134315771.db2.gz QVYFJXMDUBFLKN-GMTAPVOTSA-N 2 2 241.335 -0.487 20 0 BBADLP C[C@@H]([NH3+])C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000178861098 134315906 /nfs/dbraw/zinc/31/59/06/134315906.db2.gz QVYFJXMDUBFLKN-HBNTYKKESA-N 2 2 241.335 -0.487 20 0 BBADLP C[C@H]([NH3+])C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000178861739 134315601 /nfs/dbraw/zinc/31/56/01/134315601.db2.gz QVYFJXMDUBFLKN-VWYCJHECSA-N 2 2 241.335 -0.487 20 0 BBADLP C[C@H]([NH3+])C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000178861750 134315428 /nfs/dbraw/zinc/31/54/28/134315428.db2.gz QVYFJXMDUBFLKN-DCAQKATOSA-N 2 2 241.335 -0.487 20 0 BBADLP C[C@H]([NH3+])C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000178861757 134315607 /nfs/dbraw/zinc/31/56/07/134315607.db2.gz QVYFJXMDUBFLKN-OUAUKWLOSA-N 2 2 241.335 -0.487 20 0 BBADLP C[C@H]([NH3+])C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000178861763 134315736 /nfs/dbraw/zinc/31/57/36/134315736.db2.gz QVYFJXMDUBFLKN-GARJFASQSA-N 2 2 241.335 -0.487 20 0 BBADLP CNC(=O)CC[N@@H+](C)CCn1cc[nH+]c1 ZINC000179194349 173247241 /nfs/dbraw/zinc/24/72/41/173247241.db2.gz PPIXNIUQNVMWGK-UHFFFAOYSA-N 2 2 210.281 -0.049 20 0 BBADLP CNC(=O)CC[N@H+](C)CCn1cc[nH+]c1 ZINC000179194349 173247238 /nfs/dbraw/zinc/24/72/38/173247238.db2.gz PPIXNIUQNVMWGK-UHFFFAOYSA-N 2 2 210.281 -0.049 20 0 BBADLP C[C@@H]1COCC[N@H+]1CCN1CC[NH+](C)CC1 ZINC000179524183 385377568 /nfs/dbraw/zinc/37/75/68/385377568.db2.gz QLWGRCJLBKJKFV-GFCCVEGCSA-N 2 2 227.352 -0.046 20 0 BBADLP C[C@@H]1COCC[N@@H+]1CCN1CC[NH+](C)CC1 ZINC000179524183 385377565 /nfs/dbraw/zinc/37/75/65/385377565.db2.gz QLWGRCJLBKJKFV-GFCCVEGCSA-N 2 2 227.352 -0.046 20 0 BBADLP C[C@H]1COCC[N@H+]1CCN1CC[NH+](C)CC1 ZINC000179524195 385377100 /nfs/dbraw/zinc/37/71/00/385377100.db2.gz QLWGRCJLBKJKFV-LBPRGKRZSA-N 2 2 227.352 -0.046 20 0 BBADLP C[C@H]1COCC[N@@H+]1CCN1CC[NH+](C)CC1 ZINC000179524195 385377095 /nfs/dbraw/zinc/37/70/95/385377095.db2.gz QLWGRCJLBKJKFV-LBPRGKRZSA-N 2 2 227.352 -0.046 20 0 BBADLP CNC(=O)[C@@H]1C[N@@H+](CCn2cc[nH+]c2)CCO1 ZINC000180246922 173299898 /nfs/dbraw/zinc/29/98/98/173299898.db2.gz QRJCELITZWVAKG-JTQLQIEISA-N 2 2 238.291 -0.670 20 0 BBADLP CNC(=O)[C@@H]1C[N@H+](CCn2cc[nH+]c2)CCO1 ZINC000180246922 173299897 /nfs/dbraw/zinc/29/98/97/173299897.db2.gz QRJCELITZWVAKG-JTQLQIEISA-N 2 2 238.291 -0.670 20 0 BBADLP CNC(=O)[C@H]1C[N@@H+](CCn2cc[nH+]c2)CCO1 ZINC000180246935 173308372 /nfs/dbraw/zinc/30/83/72/173308372.db2.gz QRJCELITZWVAKG-SNVBAGLBSA-N 2 2 238.291 -0.670 20 0 BBADLP CNC(=O)[C@H]1C[N@H+](CCn2cc[nH+]c2)CCO1 ZINC000180246935 173308371 /nfs/dbraw/zinc/30/83/71/173308371.db2.gz QRJCELITZWVAKG-SNVBAGLBSA-N 2 2 238.291 -0.670 20 0 BBADLP COC[C@H](C)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000180438611 538111736 /nfs/dbraw/zinc/11/17/36/538111736.db2.gz USRZPINVGTWQHT-NSHDSACASA-N 2 2 243.351 -0.273 20 0 BBADLP COC[C@H](C)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000180438611 538111735 /nfs/dbraw/zinc/11/17/35/538111735.db2.gz USRZPINVGTWQHT-NSHDSACASA-N 2 2 243.351 -0.273 20 0 BBADLP COC[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000180438631 538111752 /nfs/dbraw/zinc/11/17/52/538111752.db2.gz USRZPINVGTWQHT-LLVKDONJSA-N 2 2 243.351 -0.273 20 0 BBADLP COC[C@@H](C)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000180438631 538111751 /nfs/dbraw/zinc/11/17/51/538111751.db2.gz USRZPINVGTWQHT-LLVKDONJSA-N 2 2 243.351 -0.273 20 0 BBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@](C)(O)C2)CC1 ZINC000180531559 385390865 /nfs/dbraw/zinc/39/08/65/385390865.db2.gz JJWOXXGTUYVEQE-LBPRGKRZSA-N 2 2 241.335 -0.783 20 0 BBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@](C)(O)C2)CC1 ZINC000180531559 385390861 /nfs/dbraw/zinc/39/08/61/385390861.db2.gz JJWOXXGTUYVEQE-LBPRGKRZSA-N 2 2 241.335 -0.783 20 0 BBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@](C)(O)C2)CC1 ZINC000180531580 385392711 /nfs/dbraw/zinc/39/27/11/385392711.db2.gz JJWOXXGTUYVEQE-GFCCVEGCSA-N 2 2 241.335 -0.783 20 0 BBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@](C)(O)C2)CC1 ZINC000180531580 385392707 /nfs/dbraw/zinc/39/27/07/385392707.db2.gz JJWOXXGTUYVEQE-GFCCVEGCSA-N 2 2 241.335 -0.783 20 0 BBADLP CO[C@@H](C)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000182055371 134341380 /nfs/dbraw/zinc/34/13/80/134341380.db2.gz VPRXJMJHPZUPQK-NSHDSACASA-N 2 2 243.351 -0.273 20 0 BBADLP CO[C@H](C)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000182055390 134341231 /nfs/dbraw/zinc/34/12/31/134341231.db2.gz VPRXJMJHPZUPQK-LLVKDONJSA-N 2 2 243.351 -0.273 20 0 BBADLP O=C1C[N@H+](CCCn2cc[nH+]c2)CCN1 ZINC000182616614 385687924 /nfs/dbraw/zinc/68/79/24/385687924.db2.gz SDBTVTNVALRTAP-UHFFFAOYSA-N 2 2 208.265 -0.295 20 0 BBADLP O=C1NC[C@@H]2C[N@@H+](CCCn3cc[nH+]c3)CCN12 ZINC000182832378 385711193 /nfs/dbraw/zinc/71/11/93/385711193.db2.gz IMHJAZUEUJTFBB-LLVKDONJSA-N 2 2 249.318 -0.017 20 0 BBADLP O=C1NC[C@@H]2C[N@H+](CCCn3cc[nH+]c3)CCN12 ZINC000182832378 385711190 /nfs/dbraw/zinc/71/11/90/385711190.db2.gz IMHJAZUEUJTFBB-LLVKDONJSA-N 2 2 249.318 -0.017 20 0 BBADLP O=C1NC[C@H]2C[N@@H+](CCCn3cc[nH+]c3)CCN12 ZINC000182832399 385711973 /nfs/dbraw/zinc/71/19/73/385711973.db2.gz IMHJAZUEUJTFBB-NSHDSACASA-N 2 2 249.318 -0.017 20 0 BBADLP O=C1NC[C@H]2C[N@H+](CCCn3cc[nH+]c3)CCN12 ZINC000182832399 385711966 /nfs/dbraw/zinc/71/19/66/385711966.db2.gz IMHJAZUEUJTFBB-NSHDSACASA-N 2 2 249.318 -0.017 20 0 BBADLP NC(=O)[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000183169300 366983816 /nfs/dbraw/zinc/98/38/16/366983816.db2.gz YCPBDCUSPUYXMA-JTQLQIEISA-N 2 2 238.291 -0.541 20 0 BBADLP NC(=O)[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000183169300 366983814 /nfs/dbraw/zinc/98/38/14/366983814.db2.gz YCPBDCUSPUYXMA-JTQLQIEISA-N 2 2 238.291 -0.541 20 0 BBADLP NC(=O)[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000183169322 366983363 /nfs/dbraw/zinc/98/33/63/366983363.db2.gz YCPBDCUSPUYXMA-SNVBAGLBSA-N 2 2 238.291 -0.541 20 0 BBADLP NC(=O)[C@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000183169322 366983356 /nfs/dbraw/zinc/98/33/56/366983356.db2.gz YCPBDCUSPUYXMA-SNVBAGLBSA-N 2 2 238.291 -0.541 20 0 BBADLP CC[N@@H+](CCO)CCNCc1c[nH+]cn1C ZINC000184545426 387946987 /nfs/dbraw/zinc/94/69/87/387946987.db2.gz LQZYRDQWGCSQKG-UHFFFAOYSA-N 2 2 226.324 -0.176 20 0 BBADLP CC[N@H+](CCO)CCNCc1c[nH+]cn1C ZINC000184545426 387946984 /nfs/dbraw/zinc/94/69/84/387946984.db2.gz LQZYRDQWGCSQKG-UHFFFAOYSA-N 2 2 226.324 -0.176 20 0 BBADLP CC[N@@H+](CCO)CCNCc1[nH]cc[nH+]1 ZINC000184546228 385675797 /nfs/dbraw/zinc/67/57/97/385675797.db2.gz ZLNYWNQSWWMUNB-UHFFFAOYSA-N 2 2 212.297 -0.187 20 0 BBADLP CC[N@H+](CCO)CCNCc1[nH]cc[nH+]1 ZINC000184546228 385675789 /nfs/dbraw/zinc/67/57/89/385675789.db2.gz ZLNYWNQSWWMUNB-UHFFFAOYSA-N 2 2 212.297 -0.187 20 0 BBADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CCOC1 ZINC000184548167 385676754 /nfs/dbraw/zinc/67/67/54/385676754.db2.gz OFVGBIBTTJXWHL-SNVBAGLBSA-N 2 2 202.298 -0.321 20 0 BBADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CCOC1 ZINC000184548167 385676747 /nfs/dbraw/zinc/67/67/47/385676747.db2.gz OFVGBIBTTJXWHL-SNVBAGLBSA-N 2 2 202.298 -0.321 20 0 BBADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CCOC1 ZINC000184548187 385676300 /nfs/dbraw/zinc/67/63/00/385676300.db2.gz OFVGBIBTTJXWHL-JTQLQIEISA-N 2 2 202.298 -0.321 20 0 BBADLP CC[N@H+](CCO)CC[NH2+][C@H]1CCOC1 ZINC000184548187 385676295 /nfs/dbraw/zinc/67/62/95/385676295.db2.gz OFVGBIBTTJXWHL-JTQLQIEISA-N 2 2 202.298 -0.321 20 0 BBADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)COC ZINC000186577665 385771878 /nfs/dbraw/zinc/77/18/78/385771878.db2.gz OPHKXMTWGRNUQA-JTQLQIEISA-N 2 2 204.314 -0.075 20 0 BBADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)COC ZINC000186577665 385771873 /nfs/dbraw/zinc/77/18/73/385771873.db2.gz OPHKXMTWGRNUQA-JTQLQIEISA-N 2 2 204.314 -0.075 20 0 BBADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)COC ZINC000186577683 385771670 /nfs/dbraw/zinc/77/16/70/385771670.db2.gz OPHKXMTWGRNUQA-SNVBAGLBSA-N 2 2 204.314 -0.075 20 0 BBADLP CC[N@H+](CCO)CC[NH2+][C@H](C)COC ZINC000186577683 385771665 /nfs/dbraw/zinc/77/16/65/385771665.db2.gz OPHKXMTWGRNUQA-SNVBAGLBSA-N 2 2 204.314 -0.075 20 0 BBADLP CCN(CCO)CC[NH2+]C1CC[NH+](C)CC1 ZINC000186578509 398069246 /nfs/dbraw/zinc/06/92/46/398069246.db2.gz MSCPYBLMFUNIIK-UHFFFAOYSA-N 2 2 229.368 -0.016 20 0 BBADLP Nc1ccc(NC(=O)[C@H]2C[NH2+]CCO2)c[nH+]1 ZINC000187175421 387172088 /nfs/dbraw/zinc/17/20/88/387172088.db2.gz XHOWVBOOPAEUAP-MRVPVSSYSA-N 2 2 222.248 -0.409 20 0 BBADLP C[C@@H]1CN(Cc2c[nH+]cn2C)CC[N@H+]1CCO ZINC000187689338 386576398 /nfs/dbraw/zinc/57/63/98/386576398.db2.gz UNSPHXFMHAZDHC-LLVKDONJSA-N 2 2 238.335 -0.082 20 0 BBADLP C[C@@H]1CN(Cc2c[nH+]cn2C)CC[N@@H+]1CCO ZINC000187689338 386576391 /nfs/dbraw/zinc/57/63/91/386576391.db2.gz UNSPHXFMHAZDHC-LLVKDONJSA-N 2 2 238.335 -0.082 20 0 BBADLP C[C@H]1CN(Cc2c[nH+]cn2C)CC[N@H+]1CCO ZINC000187689358 386578215 /nfs/dbraw/zinc/57/82/15/386578215.db2.gz UNSPHXFMHAZDHC-NSHDSACASA-N 2 2 238.335 -0.082 20 0 BBADLP C[C@H]1CN(Cc2c[nH+]cn2C)CC[N@@H+]1CCO ZINC000187689358 386578211 /nfs/dbraw/zinc/57/82/11/386578211.db2.gz UNSPHXFMHAZDHC-NSHDSACASA-N 2 2 238.335 -0.082 20 0 BBADLP C[C@@H]1CN(Cc2[nH]cc[nH+]2)CC[N@H+]1CCO ZINC000187728266 386585760 /nfs/dbraw/zinc/58/57/60/386585760.db2.gz OKDPQMZEQNGBPZ-SNVBAGLBSA-N 2 2 224.308 -0.092 20 0 BBADLP C[C@@H]1CN(Cc2[nH]cc[nH+]2)CC[N@@H+]1CCO ZINC000187728266 386585756 /nfs/dbraw/zinc/58/57/56/386585756.db2.gz OKDPQMZEQNGBPZ-SNVBAGLBSA-N 2 2 224.308 -0.092 20 0 BBADLP C[C@H]1CN(Cc2[nH]cc[nH+]2)CC[N@H+]1CCO ZINC000187728283 386586028 /nfs/dbraw/zinc/58/60/28/386586028.db2.gz OKDPQMZEQNGBPZ-JTQLQIEISA-N 2 2 224.308 -0.092 20 0 BBADLP C[C@H]1CN(Cc2[nH]cc[nH+]2)CC[N@@H+]1CCO ZINC000187728283 386586025 /nfs/dbraw/zinc/58/60/25/386586025.db2.gz OKDPQMZEQNGBPZ-JTQLQIEISA-N 2 2 224.308 -0.092 20 0 BBADLP CC[NH+]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188686438 357571613 /nfs/dbraw/zinc/57/16/13/357571613.db2.gz OXJLXDGGZAQILJ-VHSXEESVSA-N 2 2 229.299 -0.150 20 0 BBADLP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[NH+](C2CC2)CC1 ZINC000188710937 357565827 /nfs/dbraw/zinc/56/58/27/357565827.db2.gz GNDMCZGZHCXTKD-GXSJLCMTSA-N 2 2 241.310 -0.007 20 0 BBADLP C[NH+]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188800887 387105849 /nfs/dbraw/zinc/10/58/49/387105849.db2.gz KNOCANZCEUAYGM-DTWKUNHWSA-N 2 2 215.272 -0.540 20 0 BBADLP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000188874148 387113039 /nfs/dbraw/zinc/11/30/39/387113039.db2.gz PJDLGXXZVXIPHI-IVZWLZJFSA-N 2 2 245.298 -0.867 20 0 BBADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000188874148 387113033 /nfs/dbraw/zinc/11/30/33/387113033.db2.gz PJDLGXXZVXIPHI-IVZWLZJFSA-N 2 2 245.298 -0.867 20 0 BBADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000188874170 387111831 /nfs/dbraw/zinc/11/18/31/387111831.db2.gz PJDLGXXZVXIPHI-LPEHRKFASA-N 2 2 245.298 -0.867 20 0 BBADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000188874170 387111829 /nfs/dbraw/zinc/11/18/29/387111829.db2.gz PJDLGXXZVXIPHI-LPEHRKFASA-N 2 2 245.298 -0.867 20 0 BBADLP C[C@H](O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000189188161 357608115 /nfs/dbraw/zinc/60/81/15/357608115.db2.gz FDTMDBUXKPGGJN-JTQLQIEISA-N 2 2 229.324 -0.927 20 0 BBADLP C[C@H](O)C[NH+]1CCN(Cc2c[nH+]cn2C)CC1 ZINC000189329464 385147270 /nfs/dbraw/zinc/14/72/70/385147270.db2.gz NJTFXXVJYZIOBV-NSHDSACASA-N 2 2 238.335 -0.082 20 0 BBADLP C[C@@H](O)C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000189338110 385147295 /nfs/dbraw/zinc/14/72/95/385147295.db2.gz QNLRFBZXMUWFHX-LLVKDONJSA-N 2 2 238.335 -0.082 20 0 BBADLP C[C@@H](O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000189377639 385149988 /nfs/dbraw/zinc/14/99/88/385149988.db2.gz HACDKBHNHAEDQW-SNVBAGLBSA-N 2 2 224.308 -0.092 20 0 BBADLP C[C@H](O)C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000189399374 385155038 /nfs/dbraw/zinc/15/50/38/385155038.db2.gz QNLRFBZXMUWFHX-NSHDSACASA-N 2 2 238.335 -0.082 20 0 BBADLP C[C@H](O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000189399543 385152904 /nfs/dbraw/zinc/15/29/04/385152904.db2.gz HACDKBHNHAEDQW-JTQLQIEISA-N 2 2 224.308 -0.092 20 0 BBADLP C[C@@H](O)C[NH+]1CCN(Cc2c[nH+]cn2C)CC1 ZINC000189402059 385155735 /nfs/dbraw/zinc/15/57/35/385155735.db2.gz NJTFXXVJYZIOBV-LLVKDONJSA-N 2 2 238.335 -0.082 20 0 BBADLP C[C@@H]1CN(C(=O)C[NH+](C)C)CC[N@H+]1CCO ZINC000189616641 386036305 /nfs/dbraw/zinc/03/63/05/386036305.db2.gz NJENMPSFFDNFRK-SNVBAGLBSA-N 2 2 229.324 -0.927 20 0 BBADLP C[C@@H]1CN(C(=O)C[NH+](C)C)CC[N@@H+]1CCO ZINC000189616641 386036298 /nfs/dbraw/zinc/03/62/98/386036298.db2.gz NJENMPSFFDNFRK-SNVBAGLBSA-N 2 2 229.324 -0.927 20 0 BBADLP C[C@H]1CN(C(=O)C[NH+](C)C)CC[N@H+]1CCO ZINC000189616663 386035933 /nfs/dbraw/zinc/03/59/33/386035933.db2.gz NJENMPSFFDNFRK-JTQLQIEISA-N 2 2 229.324 -0.927 20 0 BBADLP C[C@H]1CN(C(=O)C[NH+](C)C)CC[N@@H+]1CCO ZINC000189616663 386035925 /nfs/dbraw/zinc/03/59/25/386035925.db2.gz NJENMPSFFDNFRK-JTQLQIEISA-N 2 2 229.324 -0.927 20 0 BBADLP C[NH+](C)CC(=O)NCC[N@H+]1CCCOCC1 ZINC000190075078 386147201 /nfs/dbraw/zinc/14/72/01/386147201.db2.gz METZTEGWOMVPNB-UHFFFAOYSA-N 2 2 229.324 -0.614 20 0 BBADLP C[NH+](C)CC(=O)NCC[N@@H+]1CCCOCC1 ZINC000190075078 386147197 /nfs/dbraw/zinc/14/71/97/386147197.db2.gz METZTEGWOMVPNB-UHFFFAOYSA-N 2 2 229.324 -0.614 20 0 BBADLP C[C@@H](O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000190084609 357683297 /nfs/dbraw/zinc/68/32/97/357683297.db2.gz FDTMDBUXKPGGJN-SNVBAGLBSA-N 2 2 229.324 -0.927 20 0 BBADLP C[C@H](O)C[N@@H+](CCn1cc[nH+]c1)[C@@H](C)CO ZINC000190850237 488034086 /nfs/dbraw/zinc/03/40/86/488034086.db2.gz UYZBAYNOJXPNPN-QWRGUYRKSA-N 2 2 227.308 -0.053 20 0 BBADLP C[C@H](O)C[N@H+](CCn1cc[nH+]c1)[C@@H](C)CO ZINC000190850237 488034079 /nfs/dbraw/zinc/03/40/79/488034079.db2.gz UYZBAYNOJXPNPN-QWRGUYRKSA-N 2 2 227.308 -0.053 20 0 BBADLP C[C@@H](O)C[N@@H+](CCn1cc[nH+]c1)[C@@H](C)CO ZINC000190850255 488034217 /nfs/dbraw/zinc/03/42/17/488034217.db2.gz UYZBAYNOJXPNPN-WDEREUQCSA-N 2 2 227.308 -0.053 20 0 BBADLP C[C@@H](O)C[N@H+](CCn1cc[nH+]c1)[C@@H](C)CO ZINC000190850255 488034210 /nfs/dbraw/zinc/03/42/10/488034210.db2.gz UYZBAYNOJXPNPN-WDEREUQCSA-N 2 2 227.308 -0.053 20 0 BBADLP C[C@H](O)C[N@H+](Cc1c[nH+]c[nH]1)[C@@H](C)CO ZINC000191223465 357759099 /nfs/dbraw/zinc/75/90/99/357759099.db2.gz GLYDFDXTJHDPLB-IUCAKERBSA-N 2 2 213.281 -0.027 20 0 BBADLP C[C@@H](O)C[N@H+](Cc1c[nH+]c[nH]1)[C@@H](C)CO ZINC000191223484 357759167 /nfs/dbraw/zinc/75/91/67/357759167.db2.gz GLYDFDXTJHDPLB-DTWKUNHWSA-N 2 2 213.281 -0.027 20 0 BBADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@H](CO)O1 ZINC000191780180 353510831 /nfs/dbraw/zinc/51/08/31/353510831.db2.gz AJLMNOVFWRAARZ-GHMZBOCLSA-N 2 2 225.292 -0.035 20 0 BBADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)C[C@H](CO)O1 ZINC000191780180 353510829 /nfs/dbraw/zinc/51/08/29/353510829.db2.gz AJLMNOVFWRAARZ-GHMZBOCLSA-N 2 2 225.292 -0.035 20 0 BBADLP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@H](CO)O1 ZINC000191780194 353510568 /nfs/dbraw/zinc/51/05/68/353510568.db2.gz AJLMNOVFWRAARZ-WDEREUQCSA-N 2 2 225.292 -0.035 20 0 BBADLP C[C@H]1C[N@H+](CCn2cc[nH+]c2)C[C@H](CO)O1 ZINC000191780194 353510566 /nfs/dbraw/zinc/51/05/66/353510566.db2.gz AJLMNOVFWRAARZ-WDEREUQCSA-N 2 2 225.292 -0.035 20 0 BBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000191867856 357810870 /nfs/dbraw/zinc/81/08/70/357810870.db2.gz SJBGOOHXBVKVAX-DTWKUNHWSA-N 2 2 236.275 -0.021 20 0 BBADLP Cc1c[nH+]ccc1N1CC[NH+](CC(N)=O)CC1 ZINC000191981896 365008233 /nfs/dbraw/zinc/00/82/33/365008233.db2.gz LLJHUSBGUVCHDT-UHFFFAOYSA-N 2 2 234.303 -0.003 20 0 BBADLP C[NH2+]CC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000193130548 353575817 /nfs/dbraw/zinc/57/58/17/353575817.db2.gz HCUVVVDASUCWCF-SNVBAGLBSA-N 2 2 227.308 -0.815 20 0 BBADLP C[NH2+]CC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000193130548 353575813 /nfs/dbraw/zinc/57/58/13/353575813.db2.gz HCUVVVDASUCWCF-SNVBAGLBSA-N 2 2 227.308 -0.815 20 0 BBADLP C[NH2+]CC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000193130560 353575590 /nfs/dbraw/zinc/57/55/90/353575590.db2.gz HCUVVVDASUCWCF-JTQLQIEISA-N 2 2 227.308 -0.815 20 0 BBADLP C[NH2+]CC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000193130560 353575586 /nfs/dbraw/zinc/57/55/86/353575586.db2.gz HCUVVVDASUCWCF-JTQLQIEISA-N 2 2 227.308 -0.815 20 0 BBADLP C[C@@H](C(=O)N(C)C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193628269 387860187 /nfs/dbraw/zinc/86/01/87/387860187.db2.gz RIVLGRSLQRWOKC-GARJFASQSA-N 2 2 225.336 -0.044 20 0 BBADLP C[C@@H](C(=O)N(C)C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193628269 387860183 /nfs/dbraw/zinc/86/01/83/387860183.db2.gz RIVLGRSLQRWOKC-GARJFASQSA-N 2 2 225.336 -0.044 20 0 BBADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193628269 387860180 /nfs/dbraw/zinc/86/01/80/387860180.db2.gz RIVLGRSLQRWOKC-GARJFASQSA-N 2 2 225.336 -0.044 20 0 BBADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193628269 387860176 /nfs/dbraw/zinc/86/01/76/387860176.db2.gz RIVLGRSLQRWOKC-GARJFASQSA-N 2 2 225.336 -0.044 20 0 BBADLP C[C@H](C(=O)N(C)C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193628281 387859756 /nfs/dbraw/zinc/85/97/56/387859756.db2.gz RIVLGRSLQRWOKC-MXWKQRLJSA-N 2 2 225.336 -0.044 20 0 BBADLP C[C@H](C(=O)N(C)C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193628281 387859753 /nfs/dbraw/zinc/85/97/53/387859753.db2.gz RIVLGRSLQRWOKC-MXWKQRLJSA-N 2 2 225.336 -0.044 20 0 BBADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193628281 387859750 /nfs/dbraw/zinc/85/97/50/387859750.db2.gz RIVLGRSLQRWOKC-MXWKQRLJSA-N 2 2 225.336 -0.044 20 0 BBADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193628281 387859748 /nfs/dbraw/zinc/85/97/48/387859748.db2.gz RIVLGRSLQRWOKC-MXWKQRLJSA-N 2 2 225.336 -0.044 20 0 BBADLP CC(C)([NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000205648502 343103471 /nfs/dbraw/zinc/10/34/71/343103471.db2.gz OMMWFQMTRNXFPP-UHFFFAOYSA-N 2 2 243.351 -0.049 20 0 BBADLP CC(C)([NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000205648502 343103470 /nfs/dbraw/zinc/10/34/70/343103470.db2.gz OMMWFQMTRNXFPP-UHFFFAOYSA-N 2 2 243.351 -0.049 20 0 BBADLP Cn1ccc(C[N@@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000211871838 411141699 /nfs/dbraw/zinc/14/16/99/411141699.db2.gz SBEFQGWZZMAAOG-UHFFFAOYSA-N 2 2 237.351 -0.243 20 0 BBADLP Cn1ccc(C[N@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000211871838 411141698 /nfs/dbraw/zinc/14/16/98/411141698.db2.gz SBEFQGWZZMAAOG-UHFFFAOYSA-N 2 2 237.351 -0.243 20 0 BBADLP [NH3+]CC[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000212488048 488047908 /nfs/dbraw/zinc/04/79/08/488047908.db2.gz TUUPPWDZJUONHK-NSHDSACASA-N 2 2 241.335 -0.484 20 0 BBADLP [NH3+]CC[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000212488048 488047903 /nfs/dbraw/zinc/04/79/03/488047903.db2.gz TUUPPWDZJUONHK-NSHDSACASA-N 2 2 241.335 -0.484 20 0 BBADLP [NH3+]CC[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000212488118 488048023 /nfs/dbraw/zinc/04/80/23/488048023.db2.gz TUUPPWDZJUONHK-LLVKDONJSA-N 2 2 241.335 -0.484 20 0 BBADLP [NH3+]CC[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000212488118 488048020 /nfs/dbraw/zinc/04/80/20/488048020.db2.gz TUUPPWDZJUONHK-LLVKDONJSA-N 2 2 241.335 -0.484 20 0 BBADLP COCC[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC000212789503 358621994 /nfs/dbraw/zinc/62/19/94/358621994.db2.gz NMIQXYUZFRPXMH-UHFFFAOYSA-N 2 2 240.307 -0.375 20 0 BBADLP CC[S@@](=O)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000217331179 589398004 /nfs/dbraw/zinc/39/80/04/589398004.db2.gz RRUBZUACIYOWRK-BDJLRTHQSA-N 2 2 248.392 -0.199 20 0 BBADLP CC[S@](=O)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000217331181 589398048 /nfs/dbraw/zinc/39/80/48/589398048.db2.gz RRUBZUACIYOWRK-BZNIZROVSA-N 2 2 248.392 -0.199 20 0 BBADLP CC[S@@](=O)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000217331182 589398036 /nfs/dbraw/zinc/39/80/36/589398036.db2.gz RRUBZUACIYOWRK-MEDUHNTESA-N 2 2 248.392 -0.199 20 0 BBADLP CC[S@](=O)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000217331184 589397926 /nfs/dbraw/zinc/39/79/26/589397926.db2.gz RRUBZUACIYOWRK-ZBEGNZNMSA-N 2 2 248.392 -0.199 20 0 BBADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217554954 536325083 /nfs/dbraw/zinc/32/50/83/536325083.db2.gz YEKXBOQNTNMHPR-BDAKNGLRSA-N 2 2 242.323 -0.499 20 0 BBADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217554954 536325078 /nfs/dbraw/zinc/32/50/78/536325078.db2.gz YEKXBOQNTNMHPR-BDAKNGLRSA-N 2 2 242.323 -0.499 20 0 BBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217555035 536325986 /nfs/dbraw/zinc/32/59/86/536325986.db2.gz YEKXBOQNTNMHPR-IUCAKERBSA-N 2 2 242.323 -0.499 20 0 BBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217555035 536325982 /nfs/dbraw/zinc/32/59/82/536325982.db2.gz YEKXBOQNTNMHPR-IUCAKERBSA-N 2 2 242.323 -0.499 20 0 BBADLP CN1C(=O)C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000217572279 357909043 /nfs/dbraw/zinc/90/90/43/357909043.db2.gz NFKMTQWUDYNGNF-UWVGGRQHSA-N 2 2 239.319 -0.325 20 0 BBADLP CN1C(=O)C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000217572279 357909041 /nfs/dbraw/zinc/90/90/41/357909041.db2.gz NFKMTQWUDYNGNF-UWVGGRQHSA-N 2 2 239.319 -0.325 20 0 BBADLP CN1C(=O)C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC000217572357 357909320 /nfs/dbraw/zinc/90/93/20/357909320.db2.gz NFKMTQWUDYNGNF-ZJUUUORDSA-N 2 2 239.319 -0.325 20 0 BBADLP CN1C(=O)C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C1=O ZINC000217572357 357909316 /nfs/dbraw/zinc/90/93/16/357909316.db2.gz NFKMTQWUDYNGNF-ZJUUUORDSA-N 2 2 239.319 -0.325 20 0 BBADLP O=C1NC[C@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)CCN12 ZINC000217962563 134251248 /nfs/dbraw/zinc/25/12/48/134251248.db2.gz UFAZPQXTSSSNSQ-MNOVXSKESA-N 2 2 238.335 -0.305 20 0 BBADLP O=C1NC[C@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)CCN12 ZINC000217962563 134251247 /nfs/dbraw/zinc/25/12/47/134251247.db2.gz UFAZPQXTSSSNSQ-MNOVXSKESA-N 2 2 238.335 -0.305 20 0 BBADLP O=C1NC[C@H]2C[N@@H+](C[C@@H]3CC[NH2+]C3)CCN12 ZINC000217963322 411592151 /nfs/dbraw/zinc/59/21/51/411592151.db2.gz MKYQXJHMZZRUTI-ZJUUUORDSA-N 2 2 224.308 -0.695 20 0 BBADLP O=C1NC[C@H]2C[N@H+](C[C@@H]3CC[NH2+]C3)CCN12 ZINC000217963322 411592150 /nfs/dbraw/zinc/59/21/50/411592150.db2.gz MKYQXJHMZZRUTI-ZJUUUORDSA-N 2 2 224.308 -0.695 20 0 BBADLP CCN(C)C(=O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000218101399 409745846 /nfs/dbraw/zinc/74/58/46/409745846.db2.gz LMDLHOUAHHROFW-LLVKDONJSA-N 2 2 243.351 -0.489 20 0 BBADLP CCN(C)C(=O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000218101485 411630516 /nfs/dbraw/zinc/63/05/16/411630516.db2.gz LMDLHOUAHHROFW-NSHDSACASA-N 2 2 243.351 -0.489 20 0 BBADLP Cn1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)nn1 ZINC000219714936 134290615 /nfs/dbraw/zinc/29/06/15/134290615.db2.gz DDYOJAJJFCRRAL-VIFPVBQESA-N 2 2 209.297 -0.014 20 0 BBADLP Cn1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)nn1 ZINC000219714936 134290614 /nfs/dbraw/zinc/29/06/14/134290614.db2.gz DDYOJAJJFCRRAL-VIFPVBQESA-N 2 2 209.297 -0.014 20 0 BBADLP Cn1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)nn1 ZINC000219715018 134290301 /nfs/dbraw/zinc/29/03/01/134290301.db2.gz DDYOJAJJFCRRAL-SECBINFHSA-N 2 2 209.297 -0.014 20 0 BBADLP Cn1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)nn1 ZINC000219715018 134290300 /nfs/dbraw/zinc/29/03/00/134290300.db2.gz DDYOJAJJFCRRAL-SECBINFHSA-N 2 2 209.297 -0.014 20 0 BBADLP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)CC[C@@H]1[NH3+] ZINC000220184943 134301952 /nfs/dbraw/zinc/30/19/52/134301952.db2.gz SXRAWPHCOAPMIH-SCZZXKLOSA-N 2 2 209.297 -0.016 20 0 BBADLP C[C@@H]1C[N@H+](Cc2cn(C)nn2)CC[C@@H]1[NH3+] ZINC000220184943 134301951 /nfs/dbraw/zinc/30/19/51/134301951.db2.gz SXRAWPHCOAPMIH-SCZZXKLOSA-N 2 2 209.297 -0.016 20 0 BBADLP C[C@H]1C[N@@H+](Cc2cn(C)nn2)CC[C@@H]1[NH3+] ZINC000220185004 134301571 /nfs/dbraw/zinc/30/15/71/134301571.db2.gz SXRAWPHCOAPMIH-WPRPVWTQSA-N 2 2 209.297 -0.016 20 0 BBADLP C[C@H]1C[N@H+](Cc2cn(C)nn2)CC[C@@H]1[NH3+] ZINC000220185004 134301570 /nfs/dbraw/zinc/30/15/70/134301570.db2.gz SXRAWPHCOAPMIH-WPRPVWTQSA-N 2 2 209.297 -0.016 20 0 BBADLP C[NH+]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000220226538 350167300 /nfs/dbraw/zinc/16/73/00/350167300.db2.gz UBQOCTCZWNIPDH-JTQLQIEISA-N 2 2 215.272 -0.538 20 0 BBADLP C[NH+]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000220226609 345745948 /nfs/dbraw/zinc/74/59/48/345745948.db2.gz UBQOCTCZWNIPDH-SNVBAGLBSA-N 2 2 215.272 -0.538 20 0 BBADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(C)nn1 ZINC000220336733 134303608 /nfs/dbraw/zinc/30/36/08/134303608.db2.gz CRICGUKVZDWVEU-BDAKNGLRSA-N 2 2 209.297 -0.016 20 0 BBADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cn(C)nn1 ZINC000220336733 134303607 /nfs/dbraw/zinc/30/36/07/134303607.db2.gz CRICGUKVZDWVEU-BDAKNGLRSA-N 2 2 209.297 -0.016 20 0 BBADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(C)nn1 ZINC000220336813 177325048 /nfs/dbraw/zinc/32/50/48/177325048.db2.gz CRICGUKVZDWVEU-IUCAKERBSA-N 2 2 209.297 -0.016 20 0 BBADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cn(C)nn1 ZINC000220336813 177325047 /nfs/dbraw/zinc/32/50/47/177325047.db2.gz CRICGUKVZDWVEU-IUCAKERBSA-N 2 2 209.297 -0.016 20 0 BBADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(C)nn1 ZINC000220336863 134303742 /nfs/dbraw/zinc/30/37/42/134303742.db2.gz CRICGUKVZDWVEU-RKDXNWHRSA-N 2 2 209.297 -0.016 20 0 BBADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn(C)nn1 ZINC000220336863 134303741 /nfs/dbraw/zinc/30/37/41/134303741.db2.gz CRICGUKVZDWVEU-RKDXNWHRSA-N 2 2 209.297 -0.016 20 0 BBADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(C)nn1 ZINC000220336938 134303491 /nfs/dbraw/zinc/30/34/91/134303491.db2.gz CRICGUKVZDWVEU-DTWKUNHWSA-N 2 2 209.297 -0.016 20 0 BBADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn(C)nn1 ZINC000220336938 134303490 /nfs/dbraw/zinc/30/34/90/134303490.db2.gz CRICGUKVZDWVEU-DTWKUNHWSA-N 2 2 209.297 -0.016 20 0 BBADLP COC1CC([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000220901386 490155600 /nfs/dbraw/zinc/15/56/00/490155600.db2.gz JPJDFZATLJQVED-UHFFFAOYSA-N 2 2 241.335 -0.473 20 0 BBADLP CNS(=O)(=O)CC[NH2+]C1CC[NH+](C)CC1 ZINC000221099784 134318375 /nfs/dbraw/zinc/31/83/75/134318375.db2.gz FZEWRXVRXRKLQR-UHFFFAOYSA-N 2 2 235.353 -0.781 20 0 BBADLP CC[NH+]1CCC([NH2+]CCS(=O)(=O)NC)CC1 ZINC000221101094 535474479 /nfs/dbraw/zinc/47/44/79/535474479.db2.gz OODOMWMFOUZAAZ-UHFFFAOYSA-N 2 2 249.380 -0.391 20 0 BBADLP COC1CC([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000221115299 350197386 /nfs/dbraw/zinc/19/73/86/350197386.db2.gz BGUIWHNCNFBOBI-MOENNCHZSA-N 2 2 227.352 -0.001 20 0 BBADLP COC1CC([NH2+]C[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000221115299 350197382 /nfs/dbraw/zinc/19/73/82/350197382.db2.gz BGUIWHNCNFBOBI-MOENNCHZSA-N 2 2 227.352 -0.001 20 0 BBADLP COC1CC([NH2+]C[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000221115359 134317085 /nfs/dbraw/zinc/31/70/85/134317085.db2.gz BGUIWHNCNFBOBI-CXQJBGSLSA-N 2 2 227.352 -0.001 20 0 BBADLP COC1CC([NH2+]C[C@H]2C[N@H+](C)CCN2C)C1 ZINC000221115359 134317084 /nfs/dbraw/zinc/31/70/84/134317084.db2.gz BGUIWHNCNFBOBI-CXQJBGSLSA-N 2 2 227.352 -0.001 20 0 BBADLP C[NH+]1CCC([NH+](CCO)CCO)CC1 ZINC000221201050 490193559 /nfs/dbraw/zinc/19/35/59/490193559.db2.gz XMCURBLHPGXNRY-UHFFFAOYSA-N 2 2 202.298 -0.633 20 0 BBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221297940 173370261 /nfs/dbraw/zinc/37/02/61/173370261.db2.gz YNZVEGCKDBTRQQ-IUCAKERBSA-N 2 2 242.323 -0.628 20 0 BBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221297940 173370258 /nfs/dbraw/zinc/37/02/58/173370258.db2.gz YNZVEGCKDBTRQQ-IUCAKERBSA-N 2 2 242.323 -0.628 20 0 BBADLP C[C@H]([NH3+])C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000222838561 487746739 /nfs/dbraw/zinc/74/67/39/487746739.db2.gz XCXXSTFZXKCEOG-AEJSXWLSSA-N 2 2 211.309 -0.066 20 0 BBADLP C[C@H]([NH3+])C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000222838561 487746732 /nfs/dbraw/zinc/74/67/32/487746732.db2.gz XCXXSTFZXKCEOG-AEJSXWLSSA-N 2 2 211.309 -0.066 20 0 BBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCSC2)CC1 ZINC000222872677 491134360 /nfs/dbraw/zinc/13/43/60/491134360.db2.gz HGEDIYXLCSTNKK-SNVBAGLBSA-N 2 2 243.376 -0.145 20 0 BBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCSC2)CC1 ZINC000222872724 491134325 /nfs/dbraw/zinc/13/43/25/491134325.db2.gz HGEDIYXLCSTNKK-JTQLQIEISA-N 2 2 243.376 -0.145 20 0 BBADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)CC[N@H+]1C ZINC000223285133 388649457 /nfs/dbraw/zinc/64/94/57/388649457.db2.gz GAYLXNMEXHJJRP-GRYCIOLGSA-N 3 2 229.368 -0.019 20 0 BBADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)CC[N@H+]1C ZINC000223285252 323097306 /nfs/dbraw/zinc/09/73/06/323097306.db2.gz GAYLXNMEXHJJRP-IJLUTSLNSA-N 3 2 229.368 -0.019 20 0 BBADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)CC[N@@H+]1C ZINC000223285252 323097305 /nfs/dbraw/zinc/09/73/05/323097305.db2.gz GAYLXNMEXHJJRP-IJLUTSLNSA-N 3 2 229.368 -0.019 20 0 BBADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000223286699 388649855 /nfs/dbraw/zinc/64/98/55/388649855.db2.gz MUKMVTBIJDXHGF-UTUOFQBUSA-N 3 2 229.368 -0.161 20 0 BBADLP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000224045827 173031913 /nfs/dbraw/zinc/03/19/13/173031913.db2.gz PFDJOBDIQSVAJQ-BDAKNGLRSA-N 2 2 229.349 -0.141 20 0 BBADLP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000224045827 173031911 /nfs/dbraw/zinc/03/19/11/173031911.db2.gz PFDJOBDIQSVAJQ-BDAKNGLRSA-N 2 2 229.349 -0.141 20 0 BBADLP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000224045883 173056015 /nfs/dbraw/zinc/05/60/15/173056015.db2.gz PFDJOBDIQSVAJQ-IUCAKERBSA-N 2 2 229.349 -0.141 20 0 BBADLP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000224045883 173056012 /nfs/dbraw/zinc/05/60/12/173056012.db2.gz PFDJOBDIQSVAJQ-IUCAKERBSA-N 2 2 229.349 -0.141 20 0 BBADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)CCO1 ZINC000224217833 635386544 /nfs/dbraw/zinc/38/65/44/635386544.db2.gz UZXIVLCVQWHLHA-MNOVXSKESA-N 2 2 241.335 -0.486 20 0 BBADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)CCO1 ZINC000224217833 635386538 /nfs/dbraw/zinc/38/65/38/635386538.db2.gz UZXIVLCVQWHLHA-MNOVXSKESA-N 2 2 241.335 -0.486 20 0 BBADLP C[C@H]1CN(C(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)CCO1 ZINC000224217887 640605451 /nfs/dbraw/zinc/60/54/51/640605451.db2.gz UZXIVLCVQWHLHA-QWRGUYRKSA-N 2 2 241.335 -0.486 20 0 BBADLP C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)CCO1 ZINC000224217887 640605446 /nfs/dbraw/zinc/60/54/46/640605446.db2.gz UZXIVLCVQWHLHA-QWRGUYRKSA-N 2 2 241.335 -0.486 20 0 BBADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000224219473 487826195 /nfs/dbraw/zinc/82/61/95/487826195.db2.gz FCXKRECGJBIPIZ-QWRGUYRKSA-N 2 2 241.335 -0.438 20 0 BBADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000224219473 487826192 /nfs/dbraw/zinc/82/61/92/487826192.db2.gz FCXKRECGJBIPIZ-QWRGUYRKSA-N 2 2 241.335 -0.438 20 0 BBADLP CCOC[C@@H](O)C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000225865674 640712770 /nfs/dbraw/zinc/71/27/70/640712770.db2.gz VSCORGYKOOKWDR-ZJUUUORDSA-N 2 2 202.298 -0.193 20 0 BBADLP CCOC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000225865674 640712765 /nfs/dbraw/zinc/71/27/65/640712765.db2.gz VSCORGYKOOKWDR-ZJUUUORDSA-N 2 2 202.298 -0.193 20 0 BBADLP CCOC[C@H](O)C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000225865690 641713405 /nfs/dbraw/zinc/71/34/05/641713405.db2.gz VSCORGYKOOKWDR-NXEZZACHSA-N 2 2 202.298 -0.193 20 0 BBADLP CCOC[C@H](O)C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000225865690 641713400 /nfs/dbraw/zinc/71/34/00/641713400.db2.gz VSCORGYKOOKWDR-NXEZZACHSA-N 2 2 202.298 -0.193 20 0 BBADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000226053576 358333192 /nfs/dbraw/zinc/33/31/92/358333192.db2.gz VDPOWKSZMJVGEM-VXGBXAGGSA-N 2 2 238.335 -0.072 20 0 BBADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000226053576 358333189 /nfs/dbraw/zinc/33/31/89/358333189.db2.gz VDPOWKSZMJVGEM-VXGBXAGGSA-N 2 2 238.335 -0.072 20 0 BBADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000226053588 358332620 /nfs/dbraw/zinc/33/26/20/358332620.db2.gz VDPOWKSZMJVGEM-NWDGAFQWSA-N 2 2 238.335 -0.072 20 0 BBADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000226053588 358332617 /nfs/dbraw/zinc/33/26/17/358332617.db2.gz VDPOWKSZMJVGEM-NWDGAFQWSA-N 2 2 238.335 -0.072 20 0 BBADLP COCCOC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000226055545 358333258 /nfs/dbraw/zinc/33/32/58/358333258.db2.gz VEOVEIOGHIQDDG-RYUDHWBXSA-N 2 2 246.351 -0.306 20 0 BBADLP COCCOC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000226055545 358333257 /nfs/dbraw/zinc/33/32/57/358333257.db2.gz VEOVEIOGHIQDDG-RYUDHWBXSA-N 2 2 246.351 -0.306 20 0 BBADLP COCCOC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000226055554 358332730 /nfs/dbraw/zinc/33/27/30/358332730.db2.gz VEOVEIOGHIQDDG-NWDGAFQWSA-N 2 2 246.351 -0.306 20 0 BBADLP COCCOC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000226055554 358332727 /nfs/dbraw/zinc/33/27/27/358332727.db2.gz VEOVEIOGHIQDDG-NWDGAFQWSA-N 2 2 246.351 -0.306 20 0 BBADLP COCCOC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000226055568 358333226 /nfs/dbraw/zinc/33/32/26/358333226.db2.gz VEOVEIOGHIQDDG-NEPJUHHUSA-N 2 2 246.351 -0.306 20 0 BBADLP COCCOC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000226055568 358333225 /nfs/dbraw/zinc/33/32/25/358333225.db2.gz VEOVEIOGHIQDDG-NEPJUHHUSA-N 2 2 246.351 -0.306 20 0 BBADLP COCCOC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000226055578 358332937 /nfs/dbraw/zinc/33/29/37/358332937.db2.gz VEOVEIOGHIQDDG-VXGBXAGGSA-N 2 2 246.351 -0.306 20 0 BBADLP COCCOC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000226055578 358332932 /nfs/dbraw/zinc/33/29/32/358332932.db2.gz VEOVEIOGHIQDDG-VXGBXAGGSA-N 2 2 246.351 -0.306 20 0 BBADLP COC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000226062633 487654989 /nfs/dbraw/zinc/65/49/89/487654989.db2.gz VSBBMJMNMUQPCR-UWVGGRQHSA-N 2 2 202.298 -0.323 20 0 BBADLP COC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000226062633 487654986 /nfs/dbraw/zinc/65/49/86/487654986.db2.gz VSBBMJMNMUQPCR-UWVGGRQHSA-N 2 2 202.298 -0.323 20 0 BBADLP COC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000226062642 358333078 /nfs/dbraw/zinc/33/30/78/358333078.db2.gz VSBBMJMNMUQPCR-VHSXEESVSA-N 2 2 202.298 -0.323 20 0 BBADLP COC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000226062642 358333075 /nfs/dbraw/zinc/33/30/75/358333075.db2.gz VSBBMJMNMUQPCR-VHSXEESVSA-N 2 2 202.298 -0.323 20 0 BBADLP COC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000226062652 487655277 /nfs/dbraw/zinc/65/52/77/487655277.db2.gz VSBBMJMNMUQPCR-ZJUUUORDSA-N 2 2 202.298 -0.323 20 0 BBADLP COC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000226062652 487655273 /nfs/dbraw/zinc/65/52/73/487655273.db2.gz VSBBMJMNMUQPCR-ZJUUUORDSA-N 2 2 202.298 -0.323 20 0 BBADLP COC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000226062665 358333668 /nfs/dbraw/zinc/33/36/68/358333668.db2.gz VSBBMJMNMUQPCR-NXEZZACHSA-N 2 2 202.298 -0.323 20 0 BBADLP COC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000226062665 358333662 /nfs/dbraw/zinc/33/36/62/358333662.db2.gz VSBBMJMNMUQPCR-NXEZZACHSA-N 2 2 202.298 -0.323 20 0 BBADLP CNC(=[NH2+])NCC[NH+]1CCSCC1 ZINC000226261368 635429775 /nfs/dbraw/zinc/42/97/75/635429775.db2.gz DMFOIFWTTIFKAM-UHFFFAOYSA-N 2 2 202.327 -0.221 20 0 BBADLP CCNS(=O)(=O)CC[NH2+]C1CC[NH+](C)CC1 ZINC000226320688 640747306 /nfs/dbraw/zinc/74/73/06/640747306.db2.gz XYANOCUIFFZXGL-UHFFFAOYSA-N 2 2 249.380 -0.391 20 0 BBADLP COC(=O)CC[N@@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000226421187 357035898 /nfs/dbraw/zinc/03/58/98/357035898.db2.gz PDEFWJFTJFINMV-NXEZZACHSA-N 2 2 230.308 -0.012 20 0 BBADLP COC(=O)CC[N@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000226421187 357035894 /nfs/dbraw/zinc/03/58/94/357035894.db2.gz PDEFWJFTJFINMV-NXEZZACHSA-N 2 2 230.308 -0.012 20 0 BBADLP COC(=O)CC[N@@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000226421196 357036063 /nfs/dbraw/zinc/03/60/63/357036063.db2.gz PDEFWJFTJFINMV-ZJUUUORDSA-N 2 2 230.308 -0.012 20 0 BBADLP COC(=O)CC[N@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000226421196 357036060 /nfs/dbraw/zinc/03/60/60/357036060.db2.gz PDEFWJFTJFINMV-ZJUUUORDSA-N 2 2 230.308 -0.012 20 0 BBADLP C[N@H+]1CCN(C[C@@H]2CCCOC2)[C@@H](C[NH3+])C1 ZINC000226608812 358341624 /nfs/dbraw/zinc/34/16/24/358341624.db2.gz GSFAKMIHUQJURI-RYUDHWBXSA-N 2 2 227.352 -0.012 20 0 BBADLP C[N@@H+]1CCN(C[C@@H]2CCCOC2)[C@@H](C[NH3+])C1 ZINC000226608812 358341621 /nfs/dbraw/zinc/34/16/21/358341621.db2.gz GSFAKMIHUQJURI-RYUDHWBXSA-N 2 2 227.352 -0.012 20 0 BBADLP C[N@H+]1CCN(C(=O)[C@H]2CCCOC2)[C@@H](C[NH3+])C1 ZINC000226609570 358341949 /nfs/dbraw/zinc/34/19/49/358341949.db2.gz WLZREQCFNBBATA-QWRGUYRKSA-N 2 2 241.335 -0.486 20 0 BBADLP C[N@@H+]1CCN(C(=O)[C@H]2CCCOC2)[C@@H](C[NH3+])C1 ZINC000226609570 358341947 /nfs/dbraw/zinc/34/19/47/358341947.db2.gz WLZREQCFNBBATA-QWRGUYRKSA-N 2 2 241.335 -0.486 20 0 BBADLP C[N@H+]1CCN(C(=O)C[C@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000226610585 323162871 /nfs/dbraw/zinc/16/28/71/323162871.db2.gz ZRUWOLLOJDKJJV-WDEREUQCSA-N 2 2 241.335 -0.343 20 0 BBADLP C[N@@H+]1CCN(C(=O)C[C@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000226610585 323162870 /nfs/dbraw/zinc/16/28/70/323162870.db2.gz ZRUWOLLOJDKJJV-WDEREUQCSA-N 2 2 241.335 -0.343 20 0 BBADLP C[N@H+]1CCN(C(=O)[C@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000226612560 358341975 /nfs/dbraw/zinc/34/19/75/358341975.db2.gz PPIBHLDSLPPXBR-UWVGGRQHSA-N 2 2 227.308 -0.876 20 0 BBADLP C[N@@H+]1CCN(C(=O)[C@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000226612560 358341974 /nfs/dbraw/zinc/34/19/74/358341974.db2.gz PPIBHLDSLPPXBR-UWVGGRQHSA-N 2 2 227.308 -0.876 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000226677525 173367599 /nfs/dbraw/zinc/36/75/99/173367599.db2.gz MLXFUJPJOSVIKV-IUCAKERBSA-N 2 2 242.323 -0.499 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000226677525 173367598 /nfs/dbraw/zinc/36/75/98/173367598.db2.gz MLXFUJPJOSVIKV-IUCAKERBSA-N 2 2 242.323 -0.499 20 0 BBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227069242 173288068 /nfs/dbraw/zinc/28/80/68/173288068.db2.gz QSNVXUKOGVFJGF-XHNCKOQMSA-N 2 2 242.323 -0.500 20 0 BBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227069242 173288067 /nfs/dbraw/zinc/28/80/67/173288067.db2.gz QSNVXUKOGVFJGF-XHNCKOQMSA-N 2 2 242.323 -0.500 20 0 BBADLP COCCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227072344 358348352 /nfs/dbraw/zinc/34/83/52/358348352.db2.gz BIDFURKMXJLEPF-WDEREUQCSA-N 2 2 243.351 -0.192 20 0 BBADLP COCCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227072344 358348350 /nfs/dbraw/zinc/34/83/50/358348350.db2.gz BIDFURKMXJLEPF-WDEREUQCSA-N 2 2 243.351 -0.192 20 0 BBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227073662 170076391 /nfs/dbraw/zinc/07/63/91/170076391.db2.gz UDQLHLBKMTYYLT-DTWKUNHWSA-N 2 2 242.323 -0.499 20 0 BBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227073662 170076390 /nfs/dbraw/zinc/07/63/90/170076390.db2.gz UDQLHLBKMTYYLT-DTWKUNHWSA-N 2 2 242.323 -0.499 20 0 BBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227073668 170075945 /nfs/dbraw/zinc/07/59/45/170075945.db2.gz UDQLHLBKMTYYLT-IUCAKERBSA-N 2 2 242.323 -0.499 20 0 BBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227073668 170075944 /nfs/dbraw/zinc/07/59/44/170075944.db2.gz UDQLHLBKMTYYLT-IUCAKERBSA-N 2 2 242.323 -0.499 20 0 BBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227074198 173287420 /nfs/dbraw/zinc/28/74/20/173287420.db2.gz UGHGKRVSWQQUGX-JGVFFNPUSA-N 2 2 228.296 -0.889 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227074198 173287419 /nfs/dbraw/zinc/28/74/19/173287419.db2.gz UGHGKRVSWQQUGX-JGVFFNPUSA-N 2 2 228.296 -0.889 20 0 BBADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000227117674 259627110 /nfs/dbraw/zinc/62/71/10/259627110.db2.gz YECRXFUTXHGXOQ-OUAUKWLOSA-N 2 2 239.319 -0.733 20 0 BBADLP COC[C@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000227310279 487758470 /nfs/dbraw/zinc/75/84/70/487758470.db2.gz FZCAOMCPCFWKLG-NXEZZACHSA-N 2 2 202.298 -0.323 20 0 BBADLP COC[C@H](O)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000227310279 487758467 /nfs/dbraw/zinc/75/84/67/487758467.db2.gz FZCAOMCPCFWKLG-NXEZZACHSA-N 2 2 202.298 -0.323 20 0 BBADLP COC[C@H](O)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000227310289 487758542 /nfs/dbraw/zinc/75/85/42/487758542.db2.gz FZCAOMCPCFWKLG-VHSXEESVSA-N 2 2 202.298 -0.323 20 0 BBADLP COC[C@H](O)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000227310289 487758539 /nfs/dbraw/zinc/75/85/39/487758539.db2.gz FZCAOMCPCFWKLG-VHSXEESVSA-N 2 2 202.298 -0.323 20 0 BBADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(N)=O)CC[C@H]21 ZINC000227344817 134378232 /nfs/dbraw/zinc/37/82/32/134378232.db2.gz LBCSEWNYISUTCM-NXEZZACHSA-N 2 2 211.309 -0.112 20 0 BBADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(N)=O)CC[C@H]21 ZINC000227344817 134378231 /nfs/dbraw/zinc/37/82/31/134378231.db2.gz LBCSEWNYISUTCM-NXEZZACHSA-N 2 2 211.309 -0.112 20 0 BBADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(N)=O)CC[C@H]21 ZINC000227344817 134378230 /nfs/dbraw/zinc/37/82/30/134378230.db2.gz LBCSEWNYISUTCM-NXEZZACHSA-N 2 2 211.309 -0.112 20 0 BBADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(N)=O)CC[C@H]21 ZINC000227344817 134378229 /nfs/dbraw/zinc/37/82/29/134378229.db2.gz LBCSEWNYISUTCM-NXEZZACHSA-N 2 2 211.309 -0.112 20 0 BBADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(N)=O)CC[C@H]21 ZINC000227344825 134377963 /nfs/dbraw/zinc/37/79/63/134377963.db2.gz LBCSEWNYISUTCM-VHSXEESVSA-N 2 2 211.309 -0.112 20 0 BBADLP C[NH+]1CCC[C@H]2C[N@H+](CC(N)=O)CC[C@H]21 ZINC000227344825 134377962 /nfs/dbraw/zinc/37/79/62/134377962.db2.gz LBCSEWNYISUTCM-VHSXEESVSA-N 2 2 211.309 -0.112 20 0 BBADLP C[N@H+]1CCC[C@H]2C[NH+](CC(N)=O)CC[C@H]21 ZINC000227344825 134377961 /nfs/dbraw/zinc/37/79/61/134377961.db2.gz LBCSEWNYISUTCM-VHSXEESVSA-N 2 2 211.309 -0.112 20 0 BBADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(N)=O)CC[C@H]21 ZINC000227344825 134377960 /nfs/dbraw/zinc/37/79/60/134377960.db2.gz LBCSEWNYISUTCM-VHSXEESVSA-N 2 2 211.309 -0.112 20 0 BBADLP CO[C@@H](C[NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000227369325 385123377 /nfs/dbraw/zinc/12/33/77/385123377.db2.gz SHQDYSPSUNKFHY-JTQLQIEISA-N 2 2 227.308 -0.733 20 0 BBADLP CO[C@H](C[NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000227369333 385122915 /nfs/dbraw/zinc/12/29/15/385122915.db2.gz SHQDYSPSUNKFHY-SNVBAGLBSA-N 2 2 227.308 -0.733 20 0 BBADLP CC[C@H](O)C[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000227721899 711832722 /nfs/dbraw/zinc/83/27/22/711832722.db2.gz LPCRSIHAXOKDHL-KXUCPTDWSA-N 2 2 202.298 -0.195 20 0 BBADLP CC[C@H](O)C[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000227721899 711832721 /nfs/dbraw/zinc/83/27/21/711832721.db2.gz LPCRSIHAXOKDHL-KXUCPTDWSA-N 2 2 202.298 -0.195 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H](O)COC ZINC000227728501 640846622 /nfs/dbraw/zinc/84/66/22/640846622.db2.gz OJULUAVTXFHCEI-VHSXEESVSA-N 2 2 202.298 -0.323 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H](O)COC ZINC000227728501 640846619 /nfs/dbraw/zinc/84/66/19/640846619.db2.gz OJULUAVTXFHCEI-VHSXEESVSA-N 2 2 202.298 -0.323 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H](O)COC ZINC000227728506 640846628 /nfs/dbraw/zinc/84/66/28/640846628.db2.gz OJULUAVTXFHCEI-NXEZZACHSA-N 2 2 202.298 -0.323 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H](O)COC ZINC000227728506 640846626 /nfs/dbraw/zinc/84/66/26/640846626.db2.gz OJULUAVTXFHCEI-NXEZZACHSA-N 2 2 202.298 -0.323 20 0 BBADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)NC(N)=O ZINC000227736850 358362885 /nfs/dbraw/zinc/36/28/85/358362885.db2.gz QVIQIJIJYNMGGK-QMMMGPOBSA-N 2 2 230.312 -0.514 20 0 BBADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)NC(N)=O ZINC000227736850 358362881 /nfs/dbraw/zinc/36/28/81/358362881.db2.gz QVIQIJIJYNMGGK-QMMMGPOBSA-N 2 2 230.312 -0.514 20 0 BBADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)NC(N)=O ZINC000227736858 358363020 /nfs/dbraw/zinc/36/30/20/358363020.db2.gz QVIQIJIJYNMGGK-MRVPVSSYSA-N 2 2 230.312 -0.514 20 0 BBADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)NC(N)=O ZINC000227736858 358363016 /nfs/dbraw/zinc/36/30/16/358363016.db2.gz QVIQIJIJYNMGGK-MRVPVSSYSA-N 2 2 230.312 -0.514 20 0 BBADLP C[N@@H+](CCC[NH3+])CC(=O)NC[C@@H]1CCCO1 ZINC000227748257 488092938 /nfs/dbraw/zinc/09/29/38/488092938.db2.gz GLUCNKLYUDLYPU-JTQLQIEISA-N 2 2 229.324 -0.438 20 0 BBADLP C[N@H+](CCC[NH3+])CC(=O)NC[C@@H]1CCCO1 ZINC000227748257 488092934 /nfs/dbraw/zinc/09/29/34/488092934.db2.gz GLUCNKLYUDLYPU-JTQLQIEISA-N 2 2 229.324 -0.438 20 0 BBADLP C[N@@H+](CCC[NH3+])CC(=O)NC[C@H]1CCCO1 ZINC000227748264 487512460 /nfs/dbraw/zinc/51/24/60/487512460.db2.gz GLUCNKLYUDLYPU-SNVBAGLBSA-N 2 2 229.324 -0.438 20 0 BBADLP C[N@H+](CCC[NH3+])CC(=O)NC[C@H]1CCCO1 ZINC000227748264 487512451 /nfs/dbraw/zinc/51/24/51/487512451.db2.gz GLUCNKLYUDLYPU-SNVBAGLBSA-N 2 2 229.324 -0.438 20 0 BBADLP O=C([C@H]1COCC[NH2+]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000227784385 385237348 /nfs/dbraw/zinc/23/73/48/385237348.db2.gz AVPFUNUUKMZEIS-GHMZBOCLSA-N 2 2 239.319 -0.719 20 0 BBADLP O=C([C@H]1COCC[NH2+]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000227784385 385237341 /nfs/dbraw/zinc/23/73/41/385237341.db2.gz AVPFUNUUKMZEIS-GHMZBOCLSA-N 2 2 239.319 -0.719 20 0 BBADLP CO[C@@H](C)CCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000228506583 358377445 /nfs/dbraw/zinc/37/74/45/358377445.db2.gz OUIWPKMSYWBTNS-QWRGUYRKSA-N 2 2 243.351 -0.097 20 0 BBADLP CO[C@@H](C)CCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000228506583 358377442 /nfs/dbraw/zinc/37/74/42/358377442.db2.gz OUIWPKMSYWBTNS-QWRGUYRKSA-N 2 2 243.351 -0.097 20 0 BBADLP CO[C@H](C)CCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000228506591 358377457 /nfs/dbraw/zinc/37/74/57/358377457.db2.gz OUIWPKMSYWBTNS-MNOVXSKESA-N 2 2 243.351 -0.097 20 0 BBADLP CO[C@H](C)CCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000228506591 358377455 /nfs/dbraw/zinc/37/74/55/358377455.db2.gz OUIWPKMSYWBTNS-MNOVXSKESA-N 2 2 243.351 -0.097 20 0 BBADLP C[NH+](C)C[C@@](C)(O)CNCc1[nH]cc[nH+]1 ZINC000228722700 388770661 /nfs/dbraw/zinc/77/06/61/388770661.db2.gz JSRNRLXMJGTLSC-JTQLQIEISA-N 2 2 212.297 -0.188 20 0 BBADLP C[NH+](C)C[C@](C)(O)CNCc1[nH]cc[nH+]1 ZINC000228722711 388770536 /nfs/dbraw/zinc/77/05/36/388770536.db2.gz JSRNRLXMJGTLSC-SNVBAGLBSA-N 2 2 212.297 -0.188 20 0 BBADLP Cn1cc[nH+]c1CNC[C@](C)(O)C[NH+](C)C ZINC000228726707 384314554 /nfs/dbraw/zinc/31/45/54/384314554.db2.gz FNDYSFUFTVBFAS-NSHDSACASA-N 2 2 226.324 -0.178 20 0 BBADLP Cn1cc[nH+]c1CNC[C@@](C)(O)C[NH+](C)C ZINC000228726715 384313756 /nfs/dbraw/zinc/31/37/56/384313756.db2.gz FNDYSFUFTVBFAS-LLVKDONJSA-N 2 2 226.324 -0.178 20 0 BBADLP C[C@H](C[S@@](C)=O)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000228981683 372100885 /nfs/dbraw/zinc/10/08/85/372100885.db2.gz OZXXUIHWRMVVSW-GLKRBJQHSA-N 2 2 248.392 -0.200 20 0 BBADLP C[C@H](C[S@](C)=O)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000228981714 372100273 /nfs/dbraw/zinc/10/02/73/372100273.db2.gz OZXXUIHWRMVVSW-UVWXRNBGSA-N 2 2 248.392 -0.200 20 0 BBADLP COC[C@@H](C)C[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000229000973 358344438 /nfs/dbraw/zinc/34/44/38/358344438.db2.gz IUJXJHMAJBIWTQ-UWVGGRQHSA-N 2 2 202.298 -0.072 20 0 BBADLP COC[C@@H](C)C[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000229000973 358344437 /nfs/dbraw/zinc/34/44/37/358344437.db2.gz IUJXJHMAJBIWTQ-UWVGGRQHSA-N 2 2 202.298 -0.072 20 0 BBADLP COC[C@H](C)C[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000229000982 358344415 /nfs/dbraw/zinc/34/44/15/358344415.db2.gz IUJXJHMAJBIWTQ-ZJUUUORDSA-N 2 2 202.298 -0.072 20 0 BBADLP COC[C@H](C)C[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000229000982 358344413 /nfs/dbraw/zinc/34/44/13/358344413.db2.gz IUJXJHMAJBIWTQ-ZJUUUORDSA-N 2 2 202.298 -0.072 20 0 BBADLP COC[C@@H](CO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000229055888 387139150 /nfs/dbraw/zinc/13/91/50/387139150.db2.gz DZYVGNPZCQRSID-SECBINFHSA-N 2 2 242.323 -0.417 20 0 BBADLP COC[C@H](CO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000229055898 387138093 /nfs/dbraw/zinc/13/80/93/387138093.db2.gz DZYVGNPZCQRSID-VIFPVBQESA-N 2 2 242.323 -0.417 20 0 BBADLP COC[C@@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000229180991 490344856 /nfs/dbraw/zinc/34/48/56/490344856.db2.gz BOCSCKCSPTUBGW-GHMZBOCLSA-N 2 2 232.324 -0.960 20 0 BBADLP COC[C@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000229181003 490344666 /nfs/dbraw/zinc/34/46/66/490344666.db2.gz BOCSCKCSPTUBGW-WDEREUQCSA-N 2 2 232.324 -0.960 20 0 BBADLP COC[C@@H](CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000229181015 490344765 /nfs/dbraw/zinc/34/47/65/490344765.db2.gz BOCSCKCSPTUBGW-MNOVXSKESA-N 2 2 232.324 -0.960 20 0 BBADLP COC[C@H](CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000229181028 490344787 /nfs/dbraw/zinc/34/47/87/490344787.db2.gz BOCSCKCSPTUBGW-QWRGUYRKSA-N 2 2 232.324 -0.960 20 0 BBADLP C[S@@](=O)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000229184185 640931347 /nfs/dbraw/zinc/93/13/47/640931347.db2.gz BCPNBYPKYIQQSN-MEBBXXQBSA-N 2 2 234.365 -0.589 20 0 BBADLP C[S@](=O)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000229184197 640931696 /nfs/dbraw/zinc/93/16/96/640931696.db2.gz BCPNBYPKYIQQSN-BMIGLBTASA-N 2 2 234.365 -0.589 20 0 BBADLP C[S@@](=O)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000229184207 640931687 /nfs/dbraw/zinc/93/16/87/640931687.db2.gz BCPNBYPKYIQQSN-ZUZCIYMTSA-N 2 2 234.365 -0.589 20 0 BBADLP C[S@](=O)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000229184220 640931035 /nfs/dbraw/zinc/93/10/35/640931035.db2.gz BCPNBYPKYIQQSN-BONVTDFDSA-N 2 2 234.365 -0.589 20 0 BBADLP CCN(C)C(=O)C[NH2+]Cc1c[nH+]cn1C ZINC000229521367 384881126 /nfs/dbraw/zinc/88/11/26/384881126.db2.gz XBWGGGITGPBDDE-UHFFFAOYSA-N 2 2 210.281 -0.012 20 0 BBADLP [NH3+]CCCc1cn(CC[NH+]2CCOCC2)nn1 ZINC000229834198 487969750 /nfs/dbraw/zinc/96/97/50/487969750.db2.gz FLLWPEJEBDRSFN-UHFFFAOYSA-N 2 2 239.323 -0.498 20 0 BBADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@@H](CO)O1 ZINC000230014688 353420823 /nfs/dbraw/zinc/42/08/23/353420823.db2.gz AJLMNOVFWRAARZ-MNOVXSKESA-N 2 2 225.292 -0.035 20 0 BBADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)C[C@@H](CO)O1 ZINC000230014688 353420819 /nfs/dbraw/zinc/42/08/19/353420819.db2.gz AJLMNOVFWRAARZ-MNOVXSKESA-N 2 2 225.292 -0.035 20 0 BBADLP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@@H](CO)O1 ZINC000230014693 353420919 /nfs/dbraw/zinc/42/09/19/353420919.db2.gz AJLMNOVFWRAARZ-QWRGUYRKSA-N 2 2 225.292 -0.035 20 0 BBADLP C[C@H]1C[N@H+](CCn2cc[nH+]c2)C[C@@H](CO)O1 ZINC000230014693 353420917 /nfs/dbraw/zinc/42/09/17/353420917.db2.gz AJLMNOVFWRAARZ-QWRGUYRKSA-N 2 2 225.292 -0.035 20 0 BBADLP CN1CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1=O ZINC000230262336 488079416 /nfs/dbraw/zinc/07/94/16/488079416.db2.gz VYHMXMHTNIOZRN-GHMZBOCLSA-N 2 2 241.335 -0.737 20 0 BBADLP CN1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1=O ZINC000230262339 488079937 /nfs/dbraw/zinc/07/99/37/488079937.db2.gz VYHMXMHTNIOZRN-MNOVXSKESA-N 2 2 241.335 -0.737 20 0 BBADLP CN1CC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1=O ZINC000230262341 488080112 /nfs/dbraw/zinc/08/01/12/488080112.db2.gz VYHMXMHTNIOZRN-WDEREUQCSA-N 2 2 241.335 -0.737 20 0 BBADLP CN1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1=O ZINC000230262344 488080212 /nfs/dbraw/zinc/08/02/12/488080212.db2.gz VYHMXMHTNIOZRN-QWRGUYRKSA-N 2 2 241.335 -0.737 20 0 BBADLP Cn1nccc1CC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000230749402 488151737 /nfs/dbraw/zinc/15/17/37/488151737.db2.gz VCSVGSIURQOEJQ-NSHDSACASA-N 2 2 224.308 -0.378 20 0 BBADLP Cn1nccc1CC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000230749402 488151733 /nfs/dbraw/zinc/15/17/33/488151733.db2.gz VCSVGSIURQOEJQ-NSHDSACASA-N 2 2 224.308 -0.378 20 0 BBADLP Cn1nccc1CC[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000230749404 488151663 /nfs/dbraw/zinc/15/16/63/488151663.db2.gz VCSVGSIURQOEJQ-LLVKDONJSA-N 2 2 224.308 -0.378 20 0 BBADLP Cn1nccc1CC[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000230749404 488151658 /nfs/dbraw/zinc/15/16/58/488151658.db2.gz VCSVGSIURQOEJQ-LLVKDONJSA-N 2 2 224.308 -0.378 20 0 BBADLP C[NH2+]CCC[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000230896111 363327563 /nfs/dbraw/zinc/32/75/63/363327563.db2.gz UGQRGGPRPGUSMD-SECBINFHSA-N 2 2 212.297 -0.695 20 0 BBADLP C[NH2+]CCC[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000230896111 363327557 /nfs/dbraw/zinc/32/75/57/363327557.db2.gz UGQRGGPRPGUSMD-SECBINFHSA-N 2 2 212.297 -0.695 20 0 BBADLP C[NH2+]CCC[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000230896115 363327294 /nfs/dbraw/zinc/32/72/94/363327294.db2.gz UGQRGGPRPGUSMD-VIFPVBQESA-N 2 2 212.297 -0.695 20 0 BBADLP C[NH2+]CCC[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000230896115 363327292 /nfs/dbraw/zinc/32/72/92/363327292.db2.gz UGQRGGPRPGUSMD-VIFPVBQESA-N 2 2 212.297 -0.695 20 0 BBADLP CN(C)S(=O)(=O)CC[NH2+]C1CC[NH+](C)CC1 ZINC000230990454 536086803 /nfs/dbraw/zinc/08/68/03/536086803.db2.gz NSELTUDZTZZZDL-UHFFFAOYSA-N 2 2 249.380 -0.438 20 0 BBADLP CO[C@@H](C[NH3+])CC(=O)NCCCn1cc[nH+]c1 ZINC000232111830 357645709 /nfs/dbraw/zinc/64/57/09/357645709.db2.gz LRCFSDULBQHFAJ-SNVBAGLBSA-N 2 2 240.307 -0.247 20 0 BBADLP CO[C@H](C[NH3+])CC(=O)NCCCn1cc[nH+]c1 ZINC000232111832 357645892 /nfs/dbraw/zinc/64/58/92/357645892.db2.gz LRCFSDULBQHFAJ-JTQLQIEISA-N 2 2 240.307 -0.247 20 0 BBADLP CO[C@@H](C[NH3+])CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000232112634 357645878 /nfs/dbraw/zinc/64/58/78/357645878.db2.gz VWCLOZQFQBRMFU-VHSXEESVSA-N 2 2 240.307 -0.248 20 0 BBADLP CO[C@H](C[NH3+])CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000232112636 357645910 /nfs/dbraw/zinc/64/59/10/357645910.db2.gz VWCLOZQFQBRMFU-UWVGGRQHSA-N 2 2 240.307 -0.248 20 0 BBADLP CO[C@@H](C[NH3+])CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000232112638 357645901 /nfs/dbraw/zinc/64/59/01/357645901.db2.gz VWCLOZQFQBRMFU-NXEZZACHSA-N 2 2 240.307 -0.248 20 0 BBADLP CO[C@H](C[NH3+])CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000232112640 357645784 /nfs/dbraw/zinc/64/57/84/357645784.db2.gz VWCLOZQFQBRMFU-ZJUUUORDSA-N 2 2 240.307 -0.248 20 0 BBADLP CNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000232289075 487542909 /nfs/dbraw/zinc/54/29/09/487542909.db2.gz OJHHLFPGOZUTBC-MNOVXSKESA-N 2 2 241.335 -0.567 20 0 BBADLP CNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000232289075 487542906 /nfs/dbraw/zinc/54/29/06/487542906.db2.gz OJHHLFPGOZUTBC-MNOVXSKESA-N 2 2 241.335 -0.567 20 0 BBADLP CNC(=O)[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000232289077 487542944 /nfs/dbraw/zinc/54/29/44/487542944.db2.gz OJHHLFPGOZUTBC-QWRGUYRKSA-N 2 2 241.335 -0.567 20 0 BBADLP CNC(=O)[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000232289077 487542939 /nfs/dbraw/zinc/54/29/39/487542939.db2.gz OJHHLFPGOZUTBC-QWRGUYRKSA-N 2 2 241.335 -0.567 20 0 BBADLP CC1(C)C(=O)NCC[N@@H+]1CCOCC[NH3+] ZINC000232880041 363387810 /nfs/dbraw/zinc/38/78/10/363387810.db2.gz RVXJCHIZBDDCPJ-UHFFFAOYSA-N 2 2 215.297 -0.828 20 0 BBADLP CC1(C)C(=O)NCC[N@H+]1CCOCC[NH3+] ZINC000232880041 363387803 /nfs/dbraw/zinc/38/78/03/363387803.db2.gz RVXJCHIZBDDCPJ-UHFFFAOYSA-N 2 2 215.297 -0.828 20 0 BBADLP CCOC(=O)N1CC[NH+](CCOCC[NH3+])CC1 ZINC000233671876 259663392 /nfs/dbraw/zinc/66/33/92/259663392.db2.gz DYAGDABNAFNQIG-UHFFFAOYSA-N 2 2 245.323 -0.264 20 0 BBADLP CC[C@@H]1C(=O)NCC[N@@H+]1CCOCC[NH3+] ZINC000234061281 363414449 /nfs/dbraw/zinc/41/44/49/363414449.db2.gz VJVIHUUNEUBCJF-SECBINFHSA-N 2 2 215.297 -0.828 20 0 BBADLP CC[C@@H]1C(=O)NCC[N@H+]1CCOCC[NH3+] ZINC000234061281 363414443 /nfs/dbraw/zinc/41/44/43/363414443.db2.gz VJVIHUUNEUBCJF-SECBINFHSA-N 2 2 215.297 -0.828 20 0 BBADLP CCn1c[nH+]cc1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000234195608 487770657 /nfs/dbraw/zinc/77/06/57/487770657.db2.gz SDBULVMVXUNOPG-UWVGGRQHSA-N 2 2 211.265 -0.560 20 0 BBADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)C(F)(F)F ZINC000234232764 342919042 /nfs/dbraw/zinc/91/90/42/342919042.db2.gz OMHJYSKUJFTLOZ-NKWVEPMBSA-N 2 2 230.230 -0.578 20 0 BBADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)C(F)(F)F ZINC000234232954 342919062 /nfs/dbraw/zinc/91/90/62/342919062.db2.gz OMHJYSKUJFTLOZ-BQBZGAKWSA-N 2 2 230.230 -0.578 20 0 BBADLP Cn1nnc(C[N@@H+](C)C2CCC([NH3+])CC2)n1 ZINC000234319851 635554842 /nfs/dbraw/zinc/55/48/42/635554842.db2.gz AZAYZVVQHDYNJQ-UHFFFAOYSA-N 2 2 224.312 -0.088 20 0 BBADLP Cn1nnc(C[N@H+](C)C2CCC([NH3+])CC2)n1 ZINC000234319851 635554841 /nfs/dbraw/zinc/55/48/41/635554841.db2.gz AZAYZVVQHDYNJQ-UHFFFAOYSA-N 2 2 224.312 -0.088 20 0 BBADLP C[NH2+]CC1CC[NH+](Cc2nnn(C)n2)CC1 ZINC000234348586 342921576 /nfs/dbraw/zinc/92/15/76/342921576.db2.gz TZVNQQYFUWAUOA-UHFFFAOYSA-N 2 2 224.312 -0.359 20 0 BBADLP CNC(=O)[C@@H](C)C[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000234360032 487808752 /nfs/dbraw/zinc/80/87/52/487808752.db2.gz MSQFWRVAKLUGGV-UWVGGRQHSA-N 2 2 229.324 -0.711 20 0 BBADLP CNC(=O)[C@@H](C)C[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000234360032 487808751 /nfs/dbraw/zinc/80/87/51/487808751.db2.gz MSQFWRVAKLUGGV-UWVGGRQHSA-N 2 2 229.324 -0.711 20 0 BBADLP CNC(=O)[C@H](C)C[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000234375944 487807927 /nfs/dbraw/zinc/80/79/27/487807927.db2.gz MSQFWRVAKLUGGV-ZJUUUORDSA-N 2 2 229.324 -0.711 20 0 BBADLP CNC(=O)[C@H](C)C[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000234375944 487807926 /nfs/dbraw/zinc/80/79/26/487807926.db2.gz MSQFWRVAKLUGGV-ZJUUUORDSA-N 2 2 229.324 -0.711 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H](O)COCCOC ZINC000234376023 631474365 /nfs/dbraw/zinc/47/43/65/631474365.db2.gz PFYSZLWMEAANMF-VXGBXAGGSA-N 2 2 246.351 -0.306 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H](O)COCCOC ZINC000234376023 631474360 /nfs/dbraw/zinc/47/43/60/631474360.db2.gz PFYSZLWMEAANMF-VXGBXAGGSA-N 2 2 246.351 -0.306 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H](O)COCCOC ZINC000234390390 631501065 /nfs/dbraw/zinc/50/10/65/631501065.db2.gz PFYSZLWMEAANMF-NWDGAFQWSA-N 2 2 246.351 -0.306 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H](O)COCCOC ZINC000234390390 631501056 /nfs/dbraw/zinc/50/10/56/631501056.db2.gz PFYSZLWMEAANMF-NWDGAFQWSA-N 2 2 246.351 -0.306 20 0 BBADLP C[NH2+][C@@H]1CC[N@@H+](C[C@@H](COC)OC)C1 ZINC000234414724 487823089 /nfs/dbraw/zinc/82/30/89/487823089.db2.gz CQRSNIKQPVLUPU-ZJUUUORDSA-N 2 2 202.298 -0.059 20 0 BBADLP C[NH2+][C@@H]1CC[N@H+](C[C@@H](COC)OC)C1 ZINC000234414724 487823085 /nfs/dbraw/zinc/82/30/85/487823085.db2.gz CQRSNIKQPVLUPU-ZJUUUORDSA-N 2 2 202.298 -0.059 20 0 BBADLP C[NH2+][C@H]1CC[N@@H+](C[C@@H](COC)OC)C1 ZINC000234478717 487829336 /nfs/dbraw/zinc/82/93/36/487829336.db2.gz CQRSNIKQPVLUPU-UWVGGRQHSA-N 2 2 202.298 -0.059 20 0 BBADLP C[NH2+][C@H]1CC[N@H+](C[C@@H](COC)OC)C1 ZINC000234478717 487829332 /nfs/dbraw/zinc/82/93/32/487829332.db2.gz CQRSNIKQPVLUPU-UWVGGRQHSA-N 2 2 202.298 -0.059 20 0 BBADLP COCCOC[C@@H](O)C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000234693346 631663830 /nfs/dbraw/zinc/66/38/30/631663830.db2.gz UXNHONYSTNHCOX-NEPJUHHUSA-N 2 2 246.351 -0.177 20 0 BBADLP COCCOC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000234693346 631663753 /nfs/dbraw/zinc/66/37/53/631663753.db2.gz UXNHONYSTNHCOX-NEPJUHHUSA-N 2 2 246.351 -0.177 20 0 BBADLP COCCOC[C@@H](O)C[N@H+]1CCC[NH2+]CC1 ZINC000234694377 631663844 /nfs/dbraw/zinc/66/38/44/631663844.db2.gz BKERAJKWLQIMMJ-NSHDSACASA-N 2 2 232.324 -0.694 20 0 BBADLP COCCOC[C@@H](O)C[N@@H+]1CCC[NH2+]CC1 ZINC000234694377 631663841 /nfs/dbraw/zinc/66/38/41/631663841.db2.gz BKERAJKWLQIMMJ-NSHDSACASA-N 2 2 232.324 -0.694 20 0 BBADLP COCCOC[C@@H](O)C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000234696241 631663198 /nfs/dbraw/zinc/66/31/98/631663198.db2.gz KHPUIBQFNRATCP-MNOVXSKESA-N 2 2 232.324 -0.567 20 0 BBADLP COCCOC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000234696241 631663195 /nfs/dbraw/zinc/66/31/95/631663195.db2.gz KHPUIBQFNRATCP-MNOVXSKESA-N 2 2 232.324 -0.567 20 0 BBADLP COCCOC[C@@H](O)C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000234697120 635558994 /nfs/dbraw/zinc/55/89/94/635558994.db2.gz JQUQHOXMZJJBBA-MNOVXSKESA-N 2 2 232.324 -0.567 20 0 BBADLP COCCOC[C@@H](O)C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000234697120 635558983 /nfs/dbraw/zinc/55/89/83/635558983.db2.gz JQUQHOXMZJJBBA-MNOVXSKESA-N 2 2 232.324 -0.567 20 0 BBADLP COC[C@H](C)OC[C@@H](O)C[N@H+]1CCC[NH2+]CC1 ZINC000234710499 631669786 /nfs/dbraw/zinc/66/97/86/631669786.db2.gz SDKGDOZETXGQEW-RYUDHWBXSA-N 2 2 246.351 -0.306 20 0 BBADLP COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[NH2+]CC1 ZINC000234710499 631669781 /nfs/dbraw/zinc/66/97/81/631669781.db2.gz SDKGDOZETXGQEW-RYUDHWBXSA-N 2 2 246.351 -0.306 20 0 BBADLP COC[C@H](C)OC[C@@H](O)C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000234712928 631668664 /nfs/dbraw/zinc/66/86/64/631668664.db2.gz LXXIDXWBNBENAV-TUAOUCFPSA-N 2 2 246.351 -0.178 20 0 BBADLP COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000234712928 631668660 /nfs/dbraw/zinc/66/86/60/631668660.db2.gz LXXIDXWBNBENAV-TUAOUCFPSA-N 2 2 246.351 -0.178 20 0 BBADLP COC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000234725520 388358493 /nfs/dbraw/zinc/35/84/93/388358493.db2.gz QAWFYXIYDOXRDF-IUCAKERBSA-N 2 2 215.297 -0.877 20 0 BBADLP COC[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000234725520 388358491 /nfs/dbraw/zinc/35/84/91/388358491.db2.gz QAWFYXIYDOXRDF-IUCAKERBSA-N 2 2 215.297 -0.877 20 0 BBADLP CO[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000234880059 487886069 /nfs/dbraw/zinc/88/60/69/487886069.db2.gz VWDIUFOGGKKXOD-UWVGGRQHSA-N 2 2 200.282 -0.305 20 0 BBADLP CO[C@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000234880059 487886065 /nfs/dbraw/zinc/88/60/65/487886065.db2.gz VWDIUFOGGKKXOD-UWVGGRQHSA-N 2 2 200.282 -0.305 20 0 BBADLP C[C@@H]([NH3+])C1CC[NH+](Cc2nnn(C)n2)CC1 ZINC000235174378 342991899 /nfs/dbraw/zinc/99/18/99/342991899.db2.gz JLLHXLACMHQEJX-MRVPVSSYSA-N 2 2 224.312 -0.231 20 0 BBADLP C[C@@]1(C(N)=O)CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000235436291 490162527 /nfs/dbraw/zinc/16/25/27/490162527.db2.gz WGCIXHZODAEMMH-GXSJLCMTSA-N 2 2 227.308 -0.828 20 0 BBADLP C[C@@]1(C(N)=O)CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000235436291 490162523 /nfs/dbraw/zinc/16/25/23/490162523.db2.gz WGCIXHZODAEMMH-GXSJLCMTSA-N 2 2 227.308 -0.828 20 0 BBADLP C[C@H]([NH3+])C1CC[NH+](Cc2nnn(C)n2)CC1 ZINC000235475004 343039559 /nfs/dbraw/zinc/03/95/59/343039559.db2.gz JLLHXLACMHQEJX-QMMMGPOBSA-N 2 2 224.312 -0.231 20 0 BBADLP C[C@]1(C(N)=O)CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000235742178 488013630 /nfs/dbraw/zinc/01/36/30/488013630.db2.gz WGCIXHZODAEMMH-ONGXEEELSA-N 2 2 227.308 -0.828 20 0 BBADLP C[C@]1(C(N)=O)CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000235742178 488013627 /nfs/dbraw/zinc/01/36/27/488013627.db2.gz WGCIXHZODAEMMH-ONGXEEELSA-N 2 2 227.308 -0.828 20 0 BBADLP Cn1nnc(C[N@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000236093826 632877444 /nfs/dbraw/zinc/87/74/44/632877444.db2.gz APIXMQGULSUTIR-MRVPVSSYSA-N 2 2 210.285 -0.619 20 0 BBADLP Cn1nnc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000236093826 632877441 /nfs/dbraw/zinc/87/74/41/632877441.db2.gz APIXMQGULSUTIR-MRVPVSSYSA-N 2 2 210.285 -0.619 20 0 BBADLP Cn1nnc(C[N@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000236094153 632878270 /nfs/dbraw/zinc/87/82/70/632878270.db2.gz APIXMQGULSUTIR-QMMMGPOBSA-N 2 2 210.285 -0.619 20 0 BBADLP Cn1nnc(C[N@@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000236094153 632878267 /nfs/dbraw/zinc/87/82/67/632878267.db2.gz APIXMQGULSUTIR-QMMMGPOBSA-N 2 2 210.285 -0.619 20 0 BBADLP Cn1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)nn1 ZINC000236107069 384182709 /nfs/dbraw/zinc/18/27/09/384182709.db2.gz BDGROQDAWPVINV-JTQLQIEISA-N 2 2 209.297 -0.014 20 0 BBADLP Cn1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)nn1 ZINC000236107069 384182705 /nfs/dbraw/zinc/18/27/05/384182705.db2.gz BDGROQDAWPVINV-JTQLQIEISA-N 2 2 209.297 -0.014 20 0 BBADLP Cn1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)nn1 ZINC000236107420 388378267 /nfs/dbraw/zinc/37/82/67/388378267.db2.gz BDGROQDAWPVINV-SNVBAGLBSA-N 2 2 209.297 -0.014 20 0 BBADLP Cn1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)nn1 ZINC000236107420 388378266 /nfs/dbraw/zinc/37/82/66/388378266.db2.gz BDGROQDAWPVINV-SNVBAGLBSA-N 2 2 209.297 -0.014 20 0 BBADLP Cn1nnc(C[NH+]2CCC(CC[NH3+])CC2)n1 ZINC000236126662 343082803 /nfs/dbraw/zinc/08/28/03/343082803.db2.gz YFCLIKGNIHOOCE-UHFFFAOYSA-N 2 2 224.312 -0.229 20 0 BBADLP Cn1nnc(C[NH+]2CCC(C[NH3+])CC2)n1 ZINC000236126695 488042881 /nfs/dbraw/zinc/04/28/81/488042881.db2.gz FCISUOYVOLZAEM-UHFFFAOYSA-N 2 2 210.285 -0.619 20 0 BBADLP Cn1nnc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000236128441 343083246 /nfs/dbraw/zinc/08/32/46/343083246.db2.gz SABIJTOHEMNVHO-VIFPVBQESA-N 2 2 224.312 -0.229 20 0 BBADLP Cn1nnc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000236128441 343083245 /nfs/dbraw/zinc/08/32/45/343083245.db2.gz SABIJTOHEMNVHO-VIFPVBQESA-N 2 2 224.312 -0.229 20 0 BBADLP Cn1nnc(C[N@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000236129149 343083318 /nfs/dbraw/zinc/08/33/18/343083318.db2.gz SABIJTOHEMNVHO-SECBINFHSA-N 2 2 224.312 -0.229 20 0 BBADLP Cn1nnc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000236129149 343083316 /nfs/dbraw/zinc/08/33/16/343083316.db2.gz SABIJTOHEMNVHO-SECBINFHSA-N 2 2 224.312 -0.229 20 0 BBADLP Nc1cc(C[NH+]2C[C@@H](O)[C@H](O)C2)cc[nH+]1 ZINC000236347344 385107240 /nfs/dbraw/zinc/10/72/40/385107240.db2.gz KFNUEBBQOIPCKM-RKDXNWHRSA-N 2 2 209.249 -0.799 20 0 BBADLP Nc1cc(C[NH+]2C[C@H](O)[C@@H](O)C2)cc[nH+]1 ZINC000236347386 385107721 /nfs/dbraw/zinc/10/77/21/385107721.db2.gz KFNUEBBQOIPCKM-IUCAKERBSA-N 2 2 209.249 -0.799 20 0 BBADLP Nc1cc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)cc[nH+]1 ZINC000236347435 385107032 /nfs/dbraw/zinc/10/70/32/385107032.db2.gz KFNUEBBQOIPCKM-DTORHVGOSA-N 2 2 209.249 -0.799 20 0 BBADLP Nc1cc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)cc[nH+]1 ZINC000236347435 385107025 /nfs/dbraw/zinc/10/70/25/385107025.db2.gz KFNUEBBQOIPCKM-DTORHVGOSA-N 2 2 209.249 -0.799 20 0 BBADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1COCC[NH2+]1 ZINC000236398770 488144005 /nfs/dbraw/zinc/14/40/05/488144005.db2.gz PIXGQTMWNQMBHN-SNVBAGLBSA-N 2 2 238.291 -0.622 20 0 BBADLP O=C(CCn1cc[nH+]c1)NC[C@H]1COCC[NH2+]1 ZINC000236398784 488058812 /nfs/dbraw/zinc/05/88/12/488058812.db2.gz PIXGQTMWNQMBHN-JTQLQIEISA-N 2 2 238.291 -0.622 20 0 BBADLP OCC1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000236474026 488062265 /nfs/dbraw/zinc/06/22/65/488062265.db2.gz NGCKSYJYOXWIJP-NSHDSACASA-N 2 2 214.309 -0.321 20 0 BBADLP OCC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000236474119 488062371 /nfs/dbraw/zinc/06/23/71/488062371.db2.gz NGCKSYJYOXWIJP-LLVKDONJSA-N 2 2 214.309 -0.321 20 0 BBADLP O[C@@H]1C[NH+](CCCn2cc[nH+]c2)C[C@H]1O ZINC000236527519 388380352 /nfs/dbraw/zinc/38/03/52/388380352.db2.gz JMTGDYJOGIJJDA-NXEZZACHSA-N 2 2 211.265 -0.689 20 0 BBADLP O[C@H]1C[NH+](CCCn2cc[nH+]c2)C[C@@H]1O ZINC000236586387 384527518 /nfs/dbraw/zinc/52/75/18/384527518.db2.gz JMTGDYJOGIJJDA-UWVGGRQHSA-N 2 2 211.265 -0.689 20 0 BBADLP CC(C)[C@H]([NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000236713030 384558168 /nfs/dbraw/zinc/55/81/68/384558168.db2.gz NXRQOPAXUMBKSK-NSHDSACASA-N 2 2 243.351 -0.240 20 0 BBADLP CC(C)[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000236753271 187289826 /nfs/dbraw/zinc/28/98/26/187289826.db2.gz YREQONLXQVKSQM-MNOVXSKESA-N 2 2 243.351 -0.193 20 0 BBADLP CC(C)[C@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000236758386 187289891 /nfs/dbraw/zinc/28/98/91/187289891.db2.gz YREQONLXQVKSQM-QWRGUYRKSA-N 2 2 243.351 -0.193 20 0 BBADLP CCC[C@H]([NH3+])C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000236871375 388385070 /nfs/dbraw/zinc/38/50/70/388385070.db2.gz MCJQHOQMVQLLCX-MNOVXSKESA-N 2 2 240.351 -0.770 20 0 BBADLP CCC[C@H]([NH3+])C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000236877210 388385403 /nfs/dbraw/zinc/38/54/03/388385403.db2.gz MCJQHOQMVQLLCX-QWRGUYRKSA-N 2 2 240.351 -0.770 20 0 BBADLP CC[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000236902855 388385705 /nfs/dbraw/zinc/38/57/05/388385705.db2.gz OJFVMVURCQIPCD-ZJUUUORDSA-N 2 2 229.324 -0.439 20 0 BBADLP CC[C@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000236908218 388385345 /nfs/dbraw/zinc/38/53/45/388385345.db2.gz OJFVMVURCQIPCD-UWVGGRQHSA-N 2 2 229.324 -0.439 20 0 BBADLP CC[C@H]([NH3+])C(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000236926122 388386511 /nfs/dbraw/zinc/38/65/11/388386511.db2.gz XWBHUUSULQJLIK-QWRGUYRKSA-N 2 2 243.351 -0.049 20 0 BBADLP CC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000236927176 398117696 /nfs/dbraw/zinc/11/76/96/398117696.db2.gz UIDWJIDDZKTWRG-AXFHLTTASA-N 2 2 243.351 -0.051 20 0 BBADLP CC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000236927336 398117607 /nfs/dbraw/zinc/11/76/07/398117607.db2.gz UIDWJIDDZKTWRG-DCAQKATOSA-N 2 2 243.351 -0.051 20 0 BBADLP CC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000236938816 388386844 /nfs/dbraw/zinc/38/68/44/388386844.db2.gz UIDWJIDDZKTWRG-MXWKQRLJSA-N 2 2 243.351 -0.051 20 0 BBADLP CC[C@H]([NH3+])C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000236938979 388386628 /nfs/dbraw/zinc/38/66/28/388386628.db2.gz UIDWJIDDZKTWRG-VWYCJHECSA-N 2 2 243.351 -0.051 20 0 BBADLP CCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000236956751 388387214 /nfs/dbraw/zinc/38/72/14/388387214.db2.gz MCJQHOQMVQLLCX-GHMZBOCLSA-N 2 2 240.351 -0.770 20 0 BBADLP CCC[C@@H]([NH3+])C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000236962658 134839795 /nfs/dbraw/zinc/83/97/95/134839795.db2.gz MCJQHOQMVQLLCX-WDEREUQCSA-N 2 2 240.351 -0.770 20 0 BBADLP COCC[NH+]1CCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000237096618 388389787 /nfs/dbraw/zinc/38/97/87/388389787.db2.gz HUWKJIPKFNFLMC-UHFFFAOYSA-N 2 2 243.351 -0.238 20 0 BBADLP CN(CC[NH+]1CCOCC1)C(=O)C[NH2+]C1CC1 ZINC000237136074 343127219 /nfs/dbraw/zinc/12/72/19/343127219.db2.gz LWWWXOQTJSPWJD-UHFFFAOYSA-N 2 2 241.335 -0.471 20 0 BBADLP C[NH2+]CC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000237191769 173326013 /nfs/dbraw/zinc/32/60/13/173326013.db2.gz VOWUAYIFEKSWIR-UHFFFAOYSA-N 2 2 243.351 -0.225 20 0 BBADLP C[NH2+]CC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000237229818 173329382 /nfs/dbraw/zinc/32/93/82/173329382.db2.gz WEYYSAQVZLYBTD-NSHDSACASA-N 2 2 243.351 -0.321 20 0 BBADLP C[NH2+]CC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000237230130 173329283 /nfs/dbraw/zinc/32/92/83/173329283.db2.gz ICEAQZZNMVNQFI-SECBINFHSA-N 2 2 210.281 -0.145 20 0 BBADLP C[NH2+]CC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000237235284 173330458 /nfs/dbraw/zinc/33/04/58/173330458.db2.gz WEYYSAQVZLYBTD-LLVKDONJSA-N 2 2 243.351 -0.321 20 0 BBADLP C[NH2+]CC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000237235514 173330315 /nfs/dbraw/zinc/33/03/15/173330315.db2.gz ICEAQZZNMVNQFI-VIFPVBQESA-N 2 2 210.281 -0.145 20 0 BBADLP COCC[NH2+]CC(=O)Nc1ccc(N)[nH+]c1 ZINC000237238087 343131001 /nfs/dbraw/zinc/13/10/01/343131001.db2.gz PGJZDXHJJKBMFC-UHFFFAOYSA-N 2 2 224.264 -0.162 20 0 BBADLP C[NH2+]CC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000237252610 173329810 /nfs/dbraw/zinc/32/98/10/173329810.db2.gz REPCBLGNMQTZPB-VHSXEESVSA-N 2 2 229.324 -0.569 20 0 BBADLP C[NH2+]CC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000237252768 173331838 /nfs/dbraw/zinc/33/18/38/173331838.db2.gz REPCBLGNMQTZPB-UWVGGRQHSA-N 2 2 229.324 -0.569 20 0 BBADLP C[NH2+]CC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000237267177 173332892 /nfs/dbraw/zinc/33/28/92/173332892.db2.gz REPCBLGNMQTZPB-NXEZZACHSA-N 2 2 229.324 -0.569 20 0 BBADLP C[NH2+]CC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000237267311 173332655 /nfs/dbraw/zinc/33/26/55/173332655.db2.gz REPCBLGNMQTZPB-ZJUUUORDSA-N 2 2 229.324 -0.569 20 0 BBADLP C[C@@H](NC(=O)C(C)(C)[NH3+])[C@@H](C)[NH+]1CCOCC1 ZINC000237480962 384238574 /nfs/dbraw/zinc/23/85/74/384238574.db2.gz RMCYNMDJSIZHSN-NXEZZACHSA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@@H](NC(=O)C(C)(C)[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000237481044 176011410 /nfs/dbraw/zinc/01/14/10/176011410.db2.gz RMCYNMDJSIZHSN-ZJUUUORDSA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@@H](NC(=O)C1([NH3+])CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000237488413 384239323 /nfs/dbraw/zinc/23/93/23/384239323.db2.gz ZIXUHINVHKMVQH-NXEZZACHSA-N 2 2 241.335 -0.297 20 0 BBADLP C[C@@H](NC(=O)C1([NH3+])CC1)[C@H](C)[NH+]1CCOCC1 ZINC000237488528 176011642 /nfs/dbraw/zinc/01/16/42/176011642.db2.gz ZIXUHINVHKMVQH-ZJUUUORDSA-N 2 2 241.335 -0.297 20 0 BBADLP C[C@H]([C@H](C)NC(=O)C(C)(C)[NH3+])[NH+]1CCOCC1 ZINC000237541011 384281285 /nfs/dbraw/zinc/28/12/85/384281285.db2.gz RMCYNMDJSIZHSN-VHSXEESVSA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@H](NC(=O)C(C)(C)[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000237541088 384280274 /nfs/dbraw/zinc/28/02/74/384280274.db2.gz RMCYNMDJSIZHSN-UWVGGRQHSA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@H]([C@H](C)NC(=O)C1([NH3+])CC1)[NH+]1CCOCC1 ZINC000237547473 176787640 /nfs/dbraw/zinc/78/76/40/176787640.db2.gz ZIXUHINVHKMVQH-VHSXEESVSA-N 2 2 241.335 -0.297 20 0 BBADLP C[C@H](NC(=O)C1([NH3+])CC1)[C@H](C)[NH+]1CCOCC1 ZINC000237547572 384281183 /nfs/dbraw/zinc/28/11/83/384281183.db2.gz ZIXUHINVHKMVQH-UWVGGRQHSA-N 2 2 241.335 -0.297 20 0 BBADLP C[C@@H](NC(=O)CC[NH3+])[C@@H](C)[NH+]1CCOCC1 ZINC000237561699 175830125 /nfs/dbraw/zinc/83/01/25/175830125.db2.gz SXKKMPXOMLBZAF-NXEZZACHSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@@H](NC(=O)CC[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000237561776 176011296 /nfs/dbraw/zinc/01/12/96/176011296.db2.gz SXKKMPXOMLBZAF-ZJUUUORDSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@@H](NC(=O)C[NH3+])[C@@H](C)[NH+]1CCOCC1 ZINC000237589147 384301472 /nfs/dbraw/zinc/30/14/72/384301472.db2.gz IRYIWRHYJKNBKZ-RKDXNWHRSA-N 2 2 215.297 -0.830 20 0 BBADLP C[C@@H](NC(=O)C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000237589263 176011247 /nfs/dbraw/zinc/01/12/47/176011247.db2.gz IRYIWRHYJKNBKZ-BDAKNGLRSA-N 2 2 215.297 -0.830 20 0 BBADLP C[C@H]([C@H](C)NC(=O)CC[NH3+])[NH+]1CCOCC1 ZINC000237603523 384305227 /nfs/dbraw/zinc/30/52/27/384305227.db2.gz SXKKMPXOMLBZAF-VHSXEESVSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@H](NC(=O)CC[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000237603593 384306655 /nfs/dbraw/zinc/30/66/55/384306655.db2.gz SXKKMPXOMLBZAF-UWVGGRQHSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@H]([C@H](C)NC(=O)C[NH3+])[NH+]1CCOCC1 ZINC000237622650 384319081 /nfs/dbraw/zinc/31/90/81/384319081.db2.gz IRYIWRHYJKNBKZ-DTWKUNHWSA-N 2 2 215.297 -0.830 20 0 BBADLP C[C@H](NC(=O)C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000237622745 384318880 /nfs/dbraw/zinc/31/88/80/384318880.db2.gz IRYIWRHYJKNBKZ-IUCAKERBSA-N 2 2 215.297 -0.830 20 0 BBADLP Cc1c[nH+]ccc1NC(=O)CN1CC[NH2+]CC1=O ZINC000237800499 388399565 /nfs/dbraw/zinc/39/95/65/388399565.db2.gz HJVGXHADUYMKNA-UHFFFAOYSA-N 2 2 248.286 -0.240 20 0 BBADLP Nc1ccc(NC(=O)[C@@H]2C[NH2+]CCO2)c[nH+]1 ZINC000237859233 387929183 /nfs/dbraw/zinc/92/91/83/387929183.db2.gz XHOWVBOOPAEUAP-QMMMGPOBSA-N 2 2 222.248 -0.409 20 0 BBADLP [NH3+]CCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000237878776 350754996 /nfs/dbraw/zinc/75/49/96/350754996.db2.gz IJQKMZUBHUBCDF-UHFFFAOYSA-N 2 2 218.260 -0.048 20 0 BBADLP Cn1c[nH+]cc1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000237931607 388399720 /nfs/dbraw/zinc/39/97/20/388399720.db2.gz BDOOVBBTAVZFBU-GFCCVEGCSA-N 2 2 238.335 -0.034 20 0 BBADLP Cn1c[nH+]cc1CNC[C@H](O)C[NH+]1CCCC1 ZINC000237933277 388398983 /nfs/dbraw/zinc/39/89/83/388398983.db2.gz BDOOVBBTAVZFBU-LBPRGKRZSA-N 2 2 238.335 -0.034 20 0 BBADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CSC[NH2+]1 ZINC000240530206 177233326 /nfs/dbraw/zinc/23/33/26/177233326.db2.gz PJHYGTNBRBEVFJ-DTWKUNHWSA-N 2 2 229.349 -0.189 20 0 BBADLP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CSC[NH2+]1 ZINC000240530206 177233324 /nfs/dbraw/zinc/23/33/24/177233324.db2.gz PJHYGTNBRBEVFJ-DTWKUNHWSA-N 2 2 229.349 -0.189 20 0 BBADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CSC[NH2+]1 ZINC000240530207 176267216 /nfs/dbraw/zinc/26/72/16/176267216.db2.gz PJHYGTNBRBEVFJ-RKDXNWHRSA-N 2 2 229.349 -0.189 20 0 BBADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CSC[NH2+]1 ZINC000240530207 176267214 /nfs/dbraw/zinc/26/72/14/176267214.db2.gz PJHYGTNBRBEVFJ-RKDXNWHRSA-N 2 2 229.349 -0.189 20 0 BBADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000245433051 171370978 /nfs/dbraw/zinc/37/09/78/171370978.db2.gz BPDFXWPVIRMILJ-GARJFASQSA-N 2 2 243.351 -0.193 20 0 BBADLP C[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC000245706943 388599543 /nfs/dbraw/zinc/59/95/43/388599543.db2.gz XXLQIKRNOQNPEB-UWVGGRQHSA-N 2 2 211.309 -0.242 20 0 BBADLP C[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000245706943 388599542 /nfs/dbraw/zinc/59/95/42/388599542.db2.gz XXLQIKRNOQNPEB-UWVGGRQHSA-N 2 2 211.309 -0.242 20 0 BBADLP C[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC000245706946 388599479 /nfs/dbraw/zinc/59/94/79/388599479.db2.gz XXLQIKRNOQNPEB-ZJUUUORDSA-N 2 2 211.309 -0.242 20 0 BBADLP C[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000245706946 388599478 /nfs/dbraw/zinc/59/94/78/388599478.db2.gz XXLQIKRNOQNPEB-ZJUUUORDSA-N 2 2 211.309 -0.242 20 0 BBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246456712 388443514 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241.335 -0.425 20 0 BBADLP CNC(=O)[C@H]1CCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000250372303 487731709 /nfs/dbraw/zinc/73/17/09/487731709.db2.gz JBHZAPPQMAFIBF-NXEZZACHSA-N 2 2 227.308 -0.815 20 0 BBADLP CNC(=O)[C@H]1CCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000250372303 487731704 /nfs/dbraw/zinc/73/17/04/487731704.db2.gz JBHZAPPQMAFIBF-NXEZZACHSA-N 2 2 227.308 -0.815 20 0 BBADLP CNC(=O)[C@@H]1CCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000250372305 487731653 /nfs/dbraw/zinc/73/16/53/487731653.db2.gz JBHZAPPQMAFIBF-ZJUUUORDSA-N 2 2 227.308 -0.815 20 0 BBADLP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000250372305 487731648 /nfs/dbraw/zinc/73/16/48/487731648.db2.gz JBHZAPPQMAFIBF-ZJUUUORDSA-N 2 2 227.308 -0.815 20 0 BBADLP C[N@H+]1CCN(C(=O)[C@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000250391354 349169979 /nfs/dbraw/zinc/16/99/79/349169979.db2.gz PPIBHLDSLPPXBR-VHSXEESVSA-N 2 2 227.308 -0.876 20 0 BBADLP C[N@@H+]1CCN(C(=O)[C@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000250391354 349169977 /nfs/dbraw/zinc/16/99/77/349169977.db2.gz PPIBHLDSLPPXBR-VHSXEESVSA-N 2 2 227.308 -0.876 20 0 BBADLP C[N@H+]1CCN(C(=O)[C@H]2CCCOC2)[C@H](C[NH3+])C1 ZINC000250411833 349171286 /nfs/dbraw/zinc/17/12/86/349171286.db2.gz WLZREQCFNBBATA-WDEREUQCSA-N 2 2 241.335 -0.486 20 0 BBADLP C[N@@H+]1CCN(C(=O)[C@H]2CCCOC2)[C@H](C[NH3+])C1 ZINC000250411833 349171284 /nfs/dbraw/zinc/17/12/84/349171284.db2.gz WLZREQCFNBBATA-WDEREUQCSA-N 2 2 241.335 -0.486 20 0 BBADLP C[N@@H+](C[C@@H]1C[NH2+]CCO1)[C@H]1CCOC1 ZINC000250421569 362803943 /nfs/dbraw/zinc/80/39/43/362803943.db2.gz PJYQKQDWKJNNQP-UWVGGRQHSA-N 2 2 200.282 -0.305 20 0 BBADLP C[N@H+](C[C@@H]1C[NH2+]CCO1)[C@H]1CCOC1 ZINC000250421569 362803941 /nfs/dbraw/zinc/80/39/41/362803941.db2.gz PJYQKQDWKJNNQP-UWVGGRQHSA-N 2 2 200.282 -0.305 20 0 BBADLP C[N@@H+](C[C@H]1C[NH2+]CCO1)[C@H]1CCOC1 ZINC000250421575 362804081 /nfs/dbraw/zinc/80/40/81/362804081.db2.gz PJYQKQDWKJNNQP-VHSXEESVSA-N 2 2 200.282 -0.305 20 0 BBADLP C[N@H+](C[C@H]1C[NH2+]CCO1)[C@H]1CCOC1 ZINC000250421575 362804080 /nfs/dbraw/zinc/80/40/80/362804080.db2.gz PJYQKQDWKJNNQP-VHSXEESVSA-N 2 2 200.282 -0.305 20 0 BBADLP C[N@H+]1CCN(C(=O)C[C@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000250423186 388790298 /nfs/dbraw/zinc/79/02/98/388790298.db2.gz ZRUWOLLOJDKJJV-GHMZBOCLSA-N 2 2 241.335 -0.343 20 0 BBADLP C[N@@H+]1CCN(C(=O)C[C@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000250423186 388790291 /nfs/dbraw/zinc/79/02/91/388790291.db2.gz ZRUWOLLOJDKJJV-GHMZBOCLSA-N 2 2 241.335 -0.343 20 0 BBADLP COC[C@@H]1CC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000250462061 487732979 /nfs/dbraw/zinc/73/29/79/487732979.db2.gz LTMXBXMCTPYZNC-GHMZBOCLSA-N 2 2 214.309 -0.057 20 0 BBADLP COC[C@@H]1CC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000250462061 487732974 /nfs/dbraw/zinc/73/29/74/487732974.db2.gz LTMXBXMCTPYZNC-GHMZBOCLSA-N 2 2 214.309 -0.057 20 0 BBADLP COC[C@H]1CC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000250462066 487733164 /nfs/dbraw/zinc/73/31/64/487733164.db2.gz LTMXBXMCTPYZNC-WDEREUQCSA-N 2 2 214.309 -0.057 20 0 BBADLP COC[C@H]1CC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000250462066 487733161 /nfs/dbraw/zinc/73/31/61/487733161.db2.gz LTMXBXMCTPYZNC-WDEREUQCSA-N 2 2 214.309 -0.057 20 0 BBADLP COC[C@H]([NH3+])C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000250464231 387159216 /nfs/dbraw/zinc/15/92/16/387159216.db2.gz MULLCERMIRZKGW-QWRGUYRKSA-N 2 2 241.335 -0.343 20 0 BBADLP COC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250464231 387159209 /nfs/dbraw/zinc/15/92/09/387159209.db2.gz MULLCERMIRZKGW-QWRGUYRKSA-N 2 2 241.335 -0.343 20 0 BBADLP COC[C@@H]([NH3+])C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000250464235 387159659 /nfs/dbraw/zinc/15/96/59/387159659.db2.gz MULLCERMIRZKGW-WDEREUQCSA-N 2 2 241.335 -0.343 20 0 BBADLP COC[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250464235 387159655 /nfs/dbraw/zinc/15/96/55/387159655.db2.gz MULLCERMIRZKGW-WDEREUQCSA-N 2 2 241.335 -0.343 20 0 BBADLP COC[C@@H](O)C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000250483256 644759796 /nfs/dbraw/zinc/75/97/96/644759796.db2.gz XQEXRAWSHMDUQM-UWVGGRQHSA-N 2 2 202.298 -0.193 20 0 BBADLP COC[C@@H](O)C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000250483256 644759792 /nfs/dbraw/zinc/75/97/92/644759792.db2.gz XQEXRAWSHMDUQM-UWVGGRQHSA-N 2 2 202.298 -0.193 20 0 BBADLP COC[C@H](O)C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000250483260 644759234 /nfs/dbraw/zinc/75/92/34/644759234.db2.gz XQEXRAWSHMDUQM-VHSXEESVSA-N 2 2 202.298 -0.193 20 0 BBADLP COC[C@H](O)C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000250483260 644759228 /nfs/dbraw/zinc/75/92/28/644759228.db2.gz XQEXRAWSHMDUQM-VHSXEESVSA-N 2 2 202.298 -0.193 20 0 BBADLP Cn1ccnc1CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000250614217 349177191 /nfs/dbraw/zinc/17/71/91/349177191.db2.gz AGAYTRSQHSLALS-SNVBAGLBSA-N 2 2 223.324 -0.505 20 0 BBADLP Cn1ccnc1CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000250614217 349177190 /nfs/dbraw/zinc/17/71/90/349177190.db2.gz AGAYTRSQHSLALS-SNVBAGLBSA-N 2 2 223.324 -0.505 20 0 BBADLP Cn1cc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cn1 ZINC000250621940 349176980 /nfs/dbraw/zinc/17/69/80/349176980.db2.gz PQRCHLVEAYXGKE-LLVKDONJSA-N 2 2 223.324 -0.505 20 0 BBADLP Cn1cc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cn1 ZINC000250621940 349176975 /nfs/dbraw/zinc/17/69/75/349176975.db2.gz PQRCHLVEAYXGKE-LLVKDONJSA-N 2 2 223.324 -0.505 20 0 BBADLP Cn1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000250624387 349177087 /nfs/dbraw/zinc/17/70/87/349177087.db2.gz TYSKBIKDKHCQSY-LLVKDONJSA-N 2 2 223.324 -0.505 20 0 BBADLP Cn1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000250624387 349177084 /nfs/dbraw/zinc/17/70/84/349177084.db2.gz TYSKBIKDKHCQSY-LLVKDONJSA-N 2 2 223.324 -0.505 20 0 BBADLP C[N@H+]1CCC[C@H](NC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000250629012 487612237 /nfs/dbraw/zinc/61/22/37/487612237.db2.gz QRYNKOGDRJTKPQ-DTWKUNHWSA-N 2 2 229.349 -0.141 20 0 BBADLP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000250629012 487612235 /nfs/dbraw/zinc/61/22/35/487612235.db2.gz QRYNKOGDRJTKPQ-DTWKUNHWSA-N 2 2 229.349 -0.141 20 0 BBADLP C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000250629016 487736870 /nfs/dbraw/zinc/73/68/70/487736870.db2.gz QRYNKOGDRJTKPQ-RKDXNWHRSA-N 2 2 229.349 -0.141 20 0 BBADLP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000250629016 487736864 /nfs/dbraw/zinc/73/68/64/487736864.db2.gz QRYNKOGDRJTKPQ-RKDXNWHRSA-N 2 2 229.349 -0.141 20 0 BBADLP Cn1nccc1CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000250803276 349179737 /nfs/dbraw/zinc/17/97/37/349179737.db2.gz IXVFRUDNMKNYMN-LLVKDONJSA-N 2 2 223.324 -0.505 20 0 BBADLP Cn1nccc1CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000250803276 349179734 /nfs/dbraw/zinc/17/97/34/349179734.db2.gz IXVFRUDNMKNYMN-LLVKDONJSA-N 2 2 223.324 -0.505 20 0 BBADLP Cc1nn(C)cc1CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000250888770 349181194 /nfs/dbraw/zinc/18/11/94/349181194.db2.gz LCIGRNDCUWOBPA-GFCCVEGCSA-N 2 2 237.351 -0.197 20 0 BBADLP Cc1nn(C)cc1CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000250888770 349181193 /nfs/dbraw/zinc/18/11/93/349181193.db2.gz LCIGRNDCUWOBPA-GFCCVEGCSA-N 2 2 237.351 -0.197 20 0 BBADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000250894262 388741549 /nfs/dbraw/zinc/74/15/49/388741549.db2.gz YECRXFUTXHGXOQ-GARJFASQSA-N 2 2 239.319 -0.733 20 0 BBADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000251021479 487745810 /nfs/dbraw/zinc/74/58/10/487745810.db2.gz FCXKRECGJBIPIZ-WDEREUQCSA-N 2 2 241.335 -0.438 20 0 BBADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000251021479 487745804 /nfs/dbraw/zinc/74/58/04/487745804.db2.gz FCXKRECGJBIPIZ-WDEREUQCSA-N 2 2 241.335 -0.438 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000251035991 173367412 /nfs/dbraw/zinc/36/74/12/173367412.db2.gz MLXFUJPJOSVIKV-BDAKNGLRSA-N 2 2 242.323 -0.499 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000251035991 173367410 /nfs/dbraw/zinc/36/74/10/173367410.db2.gz MLXFUJPJOSVIKV-BDAKNGLRSA-N 2 2 242.323 -0.499 20 0 BBADLP C[C@H](O)[C@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000251041705 349181651 /nfs/dbraw/zinc/18/16/51/349181651.db2.gz LNMNLJYZVCDUEO-DCAQKATOSA-N 2 2 215.341 -0.409 20 0 BBADLP C[C@H](O)[C@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000251041705 349181647 /nfs/dbraw/zinc/18/16/47/349181647.db2.gz LNMNLJYZVCDUEO-DCAQKATOSA-N 2 2 215.341 -0.409 20 0 BBADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)[C@H](C)O ZINC000251041709 349181986 /nfs/dbraw/zinc/18/19/86/349181986.db2.gz LNMNLJYZVCDUEO-VWYCJHECSA-N 2 2 215.341 -0.409 20 0 BBADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)[C@H](C)O ZINC000251041709 349181985 /nfs/dbraw/zinc/18/19/85/349181985.db2.gz LNMNLJYZVCDUEO-VWYCJHECSA-N 2 2 215.341 -0.409 20 0 BBADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000251071453 173371041 /nfs/dbraw/zinc/37/10/41/173371041.db2.gz YNZVEGCKDBTRQQ-BDAKNGLRSA-N 2 2 242.323 -0.628 20 0 BBADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000251071453 173371039 /nfs/dbraw/zinc/37/10/39/173371039.db2.gz YNZVEGCKDBTRQQ-BDAKNGLRSA-N 2 2 242.323 -0.628 20 0 BBADLP COC(=O)[C@H](C)C[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000251099614 369666607 /nfs/dbraw/zinc/66/66/07/369666607.db2.gz MMPDDQXISHGQFV-NXEZZACHSA-N 2 2 230.308 -0.284 20 0 BBADLP COC(=O)[C@@H](C)C[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000251099617 369666757 /nfs/dbraw/zinc/66/67/57/369666757.db2.gz MMPDDQXISHGQFV-VHSXEESVSA-N 2 2 230.308 -0.284 20 0 BBADLP COC[C@H](C)CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000251471843 349187518 /nfs/dbraw/zinc/18/75/18/349187518.db2.gz DTCLXNKYEYDDCW-GHMZBOCLSA-N 2 2 243.351 -0.240 20 0 BBADLP COC[C@H](C)CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000251471843 349187514 /nfs/dbraw/zinc/18/75/14/349187514.db2.gz DTCLXNKYEYDDCW-GHMZBOCLSA-N 2 2 243.351 -0.240 20 0 BBADLP COC[C@@H](C)CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000251471847 349187638 /nfs/dbraw/zinc/18/76/38/349187638.db2.gz DTCLXNKYEYDDCW-WDEREUQCSA-N 2 2 243.351 -0.240 20 0 BBADLP COC[C@@H](C)CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000251471847 349187635 /nfs/dbraw/zinc/18/76/35/349187635.db2.gz DTCLXNKYEYDDCW-WDEREUQCSA-N 2 2 243.351 -0.240 20 0 BBADLP COCCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251552891 349188426 /nfs/dbraw/zinc/18/84/26/349188426.db2.gz BIDFURKMXJLEPF-GHMZBOCLSA-N 2 2 243.351 -0.192 20 0 BBADLP COCCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251552891 349188424 /nfs/dbraw/zinc/18/84/24/349188424.db2.gz BIDFURKMXJLEPF-GHMZBOCLSA-N 2 2 243.351 -0.192 20 0 BBADLP CC[C@H]1C[N@@H+](CC(=O)NC(=O)NC)CC[C@H]1[NH3+] ZINC000251629421 369873845 /nfs/dbraw/zinc/87/38/45/369873845.db2.gz FJPCXSCGMCEIMT-DTWKUNHWSA-N 2 2 242.323 -0.499 20 0 BBADLP CC[C@H]1C[N@H+](CC(=O)NC(=O)NC)CC[C@H]1[NH3+] ZINC000251629421 369873841 /nfs/dbraw/zinc/87/38/41/369873841.db2.gz FJPCXSCGMCEIMT-DTWKUNHWSA-N 2 2 242.323 -0.499 20 0 BBADLP CC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC)CC[C@H]1[NH3+] ZINC000251629428 369873995 /nfs/dbraw/zinc/87/39/95/369873995.db2.gz FJPCXSCGMCEIMT-RKDXNWHRSA-N 2 2 242.323 -0.499 20 0 BBADLP CC[C@@H]1C[N@H+](CC(=O)NC(=O)NC)CC[C@H]1[NH3+] ZINC000251629428 369873992 /nfs/dbraw/zinc/87/39/92/369873992.db2.gz FJPCXSCGMCEIMT-RKDXNWHRSA-N 2 2 242.323 -0.499 20 0 BBADLP CC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)CC[C@H]1[NH3+] ZINC000251656042 369885537 /nfs/dbraw/zinc/88/55/37/369885537.db2.gz GTPNGJLZXILHOO-HTQZYQBOSA-N 2 2 228.296 -0.760 20 0 BBADLP CC[C@@H]1C[N@H+](CC(=O)NC(N)=O)CC[C@H]1[NH3+] ZINC000251656042 369885534 /nfs/dbraw/zinc/88/55/34/369885534.db2.gz GTPNGJLZXILHOO-HTQZYQBOSA-N 2 2 228.296 -0.760 20 0 BBADLP CC[C@H]1C[N@@H+](CC(=O)NC(N)=O)CC[C@H]1[NH3+] ZINC000251656044 369885638 /nfs/dbraw/zinc/88/56/38/369885638.db2.gz GTPNGJLZXILHOO-JGVFFNPUSA-N 2 2 228.296 -0.760 20 0 BBADLP CC[C@H]1C[N@H+](CC(=O)NC(N)=O)CC[C@H]1[NH3+] ZINC000251656044 369885633 /nfs/dbraw/zinc/88/56/33/369885633.db2.gz GTPNGJLZXILHOO-JGVFFNPUSA-N 2 2 228.296 -0.760 20 0 BBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251686235 176316763 /nfs/dbraw/zinc/31/67/63/176316763.db2.gz ICDCGDXVXZMAGE-BWZBUEFSSA-N 2 2 228.296 -0.761 20 0 BBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251686235 176316762 /nfs/dbraw/zinc/31/67/62/176316762.db2.gz ICDCGDXVXZMAGE-BWZBUEFSSA-N 2 2 228.296 -0.761 20 0 BBADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251686240 385991273 /nfs/dbraw/zinc/99/12/73/385991273.db2.gz ICDCGDXVXZMAGE-GJMOJQLCSA-N 2 2 228.296 -0.761 20 0 BBADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251686240 385991269 /nfs/dbraw/zinc/99/12/69/385991269.db2.gz ICDCGDXVXZMAGE-GJMOJQLCSA-N 2 2 228.296 -0.761 20 0 BBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251686242 176316199 /nfs/dbraw/zinc/31/61/99/176316199.db2.gz ICDCGDXVXZMAGE-PRJMDXOYSA-N 2 2 228.296 -0.761 20 0 BBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251686242 176316198 /nfs/dbraw/zinc/31/61/98/176316198.db2.gz ICDCGDXVXZMAGE-PRJMDXOYSA-N 2 2 228.296 -0.761 20 0 BBADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@H]1[NH3+] ZINC000251706405 135074896 /nfs/dbraw/zinc/07/48/96/135074896.db2.gz JDXMNXMOJFVLIX-PSASIEDQSA-N 2 2 211.309 -0.066 20 0 BBADLP C[C@@H]1C[N@H+](CC(=O)NC2CC2)CC[C@H]1[NH3+] ZINC000251706405 135074894 /nfs/dbraw/zinc/07/48/94/135074894.db2.gz JDXMNXMOJFVLIX-PSASIEDQSA-N 2 2 211.309 -0.066 20 0 BBADLP C[C@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@H]1[NH3+] ZINC000251706408 135075019 /nfs/dbraw/zinc/07/50/19/135075019.db2.gz JDXMNXMOJFVLIX-WCBMZHEXSA-N 2 2 211.309 -0.066 20 0 BBADLP C[C@H]1C[N@H+](CC(=O)NC2CC2)CC[C@H]1[NH3+] ZINC000251706408 135075017 /nfs/dbraw/zinc/07/50/17/135075017.db2.gz JDXMNXMOJFVLIX-WCBMZHEXSA-N 2 2 211.309 -0.066 20 0 BBADLP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000251707263 487792146 /nfs/dbraw/zinc/79/21/46/487792146.db2.gz HYPFJBKLKNUUPB-GMTAPVOTSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000251707263 487792140 /nfs/dbraw/zinc/79/21/40/487792140.db2.gz HYPFJBKLKNUUPB-GMTAPVOTSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000251707265 487792122 /nfs/dbraw/zinc/79/21/22/487792122.db2.gz HYPFJBKLKNUUPB-OUAUKWLOSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000251707265 487792118 /nfs/dbraw/zinc/79/21/18/487792118.db2.gz HYPFJBKLKNUUPB-OUAUKWLOSA-N 2 2 241.335 -0.439 20 0 BBADLP CC[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000251746058 487795170 /nfs/dbraw/zinc/79/51/70/487795170.db2.gz UFZWDIGGRDMNPU-UWVGGRQHSA-N 2 2 211.309 -0.194 20 0 BBADLP CC[C@H]1C(=O)NCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000251746058 487795166 /nfs/dbraw/zinc/79/51/66/487795166.db2.gz UFZWDIGGRDMNPU-UWVGGRQHSA-N 2 2 211.309 -0.194 20 0 BBADLP CC[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000251746063 487794969 /nfs/dbraw/zinc/79/49/69/487794969.db2.gz UFZWDIGGRDMNPU-VHSXEESVSA-N 2 2 211.309 -0.194 20 0 BBADLP CC[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000251746063 487794964 /nfs/dbraw/zinc/79/49/64/487794964.db2.gz UFZWDIGGRDMNPU-VHSXEESVSA-N 2 2 211.309 -0.194 20 0 BBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251843644 536326361 /nfs/dbraw/zinc/32/63/61/536326361.db2.gz QSNVXUKOGVFJGF-HRDYMLBCSA-N 2 2 242.323 -0.500 20 0 BBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251843644 536326357 /nfs/dbraw/zinc/32/63/57/536326357.db2.gz QSNVXUKOGVFJGF-HRDYMLBCSA-N 2 2 242.323 -0.500 20 0 BBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251873857 353293361 /nfs/dbraw/zinc/29/33/61/353293361.db2.gz UGHGKRVSWQQUGX-HTQZYQBOSA-N 2 2 228.296 -0.889 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251873857 353293359 /nfs/dbraw/zinc/29/33/59/353293359.db2.gz UGHGKRVSWQQUGX-HTQZYQBOSA-N 2 2 228.296 -0.889 20 0 BBADLP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)CC[C@H]1[NH3+] ZINC000251929877 353293926 /nfs/dbraw/zinc/29/39/26/353293926.db2.gz YQQWQRDSIMKOCV-GHMZBOCLSA-N 2 2 241.335 -0.486 20 0 BBADLP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)CC[C@H]1[NH3+] ZINC000251929877 353293923 /nfs/dbraw/zinc/29/39/23/353293923.db2.gz YQQWQRDSIMKOCV-GHMZBOCLSA-N 2 2 241.335 -0.486 20 0 BBADLP C[C@H]1C[N@@H+](CC(=O)N2CCOCC2)CC[C@H]1[NH3+] ZINC000251929879 353293718 /nfs/dbraw/zinc/29/37/18/353293718.db2.gz YQQWQRDSIMKOCV-WDEREUQCSA-N 2 2 241.335 -0.486 20 0 BBADLP C[C@H]1C[N@H+](CC(=O)N2CCOCC2)CC[C@H]1[NH3+] ZINC000251929879 353293715 /nfs/dbraw/zinc/29/37/15/353293715.db2.gz YQQWQRDSIMKOCV-WDEREUQCSA-N 2 2 241.335 -0.486 20 0 BBADLP C[C@@H]1C[C@@H]1C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000252143898 487819350 /nfs/dbraw/zinc/81/93/50/487819350.db2.gz NPHIOTZTPMKSTJ-BBBLOLIVSA-N 2 2 211.309 -0.256 20 0 BBADLP C[C@@H]1C[C@@H]1C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000252143898 487819344 /nfs/dbraw/zinc/81/93/44/487819344.db2.gz NPHIOTZTPMKSTJ-BBBLOLIVSA-N 2 2 211.309 -0.256 20 0 BBADLP C[C@@H]1C[C@H]1C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000252143899 487819239 /nfs/dbraw/zinc/81/92/39/487819239.db2.gz NPHIOTZTPMKSTJ-OPRDCNLKSA-N 2 2 211.309 -0.256 20 0 BBADLP C[C@@H]1C[C@H]1C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000252143899 487819233 /nfs/dbraw/zinc/81/92/33/487819233.db2.gz NPHIOTZTPMKSTJ-OPRDCNLKSA-N 2 2 211.309 -0.256 20 0 BBADLP Cn1ncc2c1nc[nH+]c2N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000252407857 363237732 /nfs/dbraw/zinc/23/77/32/363237732.db2.gz ICUVHAPRMAYEPZ-QMSLJYSESA-N 2 2 230.275 -0.007 20 0 BBADLP O=C(CCn1cc[nH+]c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000252410712 487822730 /nfs/dbraw/zinc/82/27/30/487822730.db2.gz LXYNFGQYUANMRF-JZYVYDRUSA-N 2 2 220.276 -0.393 20 0 BBADLP C[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000252413822 343125956 /nfs/dbraw/zinc/12/59/56/343125956.db2.gz FYDYZTUNIFTLKI-UWVGGRQHSA-N 2 2 211.309 -0.194 20 0 BBADLP C[C@H]1C(=O)NCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000252413822 343125954 /nfs/dbraw/zinc/12/59/54/343125954.db2.gz FYDYZTUNIFTLKI-UWVGGRQHSA-N 2 2 211.309 -0.194 20 0 BBADLP C[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000252413823 343126202 /nfs/dbraw/zinc/12/62/02/343126202.db2.gz FYDYZTUNIFTLKI-ZJUUUORDSA-N 2 2 211.309 -0.194 20 0 BBADLP C[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000252413823 343126200 /nfs/dbraw/zinc/12/62/00/343126200.db2.gz FYDYZTUNIFTLKI-ZJUUUORDSA-N 2 2 211.309 -0.194 20 0 BBADLP C[C@H](C(=O)NC1CC1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453365 370045319 /nfs/dbraw/zinc/04/53/19/370045319.db2.gz IFFDANATOMKNQH-UTLUCORTSA-N 2 2 223.320 -0.195 20 0 BBADLP O=C1NC[C@H]2C[N@@H+](C[C@H]3CC[NH2+]C3)CCN12 ZINC000252548337 487826481 /nfs/dbraw/zinc/82/64/81/487826481.db2.gz MKYQXJHMZZRUTI-UWVGGRQHSA-N 2 2 224.308 -0.695 20 0 BBADLP O=C1NC[C@H]2C[N@H+](C[C@H]3CC[NH2+]C3)CCN12 ZINC000252548337 487826476 /nfs/dbraw/zinc/82/64/76/487826476.db2.gz MKYQXJHMZZRUTI-UWVGGRQHSA-N 2 2 224.308 -0.695 20 0 BBADLP O=C1NC[C@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)CCN12 ZINC000252557628 370067365 /nfs/dbraw/zinc/06/73/65/370067365.db2.gz UFAZPQXTSSSNSQ-QWRGUYRKSA-N 2 2 238.335 -0.305 20 0 BBADLP O=C1NC[C@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)CCN12 ZINC000252557628 370067362 /nfs/dbraw/zinc/06/73/62/370067362.db2.gz UFAZPQXTSSSNSQ-QWRGUYRKSA-N 2 2 238.335 -0.305 20 0 BBADLP C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000252687514 135096952 /nfs/dbraw/zinc/09/69/52/135096952.db2.gz LNBVUJKLFYEIDB-SDDRHHMPSA-N 2 2 227.352 -0.001 20 0 BBADLP C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000252687514 135096951 /nfs/dbraw/zinc/09/69/51/135096951.db2.gz LNBVUJKLFYEIDB-SDDRHHMPSA-N 2 2 227.352 -0.001 20 0 BBADLP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000252687515 135096476 /nfs/dbraw/zinc/09/64/76/135096476.db2.gz LNBVUJKLFYEIDB-SRVKXCTJSA-N 2 2 227.352 -0.001 20 0 BBADLP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000252687515 135096475 /nfs/dbraw/zinc/09/64/75/135096475.db2.gz LNBVUJKLFYEIDB-SRVKXCTJSA-N 2 2 227.352 -0.001 20 0 BBADLP CC[C@H](O)C[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000252687529 644881027 /nfs/dbraw/zinc/88/10/27/644881027.db2.gz LPCRSIHAXOKDHL-GUBZILKMSA-N 2 2 202.298 -0.195 20 0 BBADLP CC[C@H](O)C[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000252687529 644881025 /nfs/dbraw/zinc/88/10/25/644881025.db2.gz LPCRSIHAXOKDHL-GUBZILKMSA-N 2 2 202.298 -0.195 20 0 BBADLP CC[C@H](O)C[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000252687530 644880917 /nfs/dbraw/zinc/88/09/17/644880917.db2.gz LPCRSIHAXOKDHL-LPEHRKFASA-N 2 2 202.298 -0.195 20 0 BBADLP CC[C@H](O)C[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000252687530 644880913 /nfs/dbraw/zinc/88/09/13/644880913.db2.gz LPCRSIHAXOKDHL-LPEHRKFASA-N 2 2 202.298 -0.195 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H](O)COC ZINC000252688472 642890654 /nfs/dbraw/zinc/89/06/54/642890654.db2.gz OJULUAVTXFHCEI-UWVGGRQHSA-N 2 2 202.298 -0.323 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H](O)COC ZINC000252688472 642890652 /nfs/dbraw/zinc/89/06/52/642890652.db2.gz OJULUAVTXFHCEI-UWVGGRQHSA-N 2 2 202.298 -0.323 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H](O)COC ZINC000252688473 644880894 /nfs/dbraw/zinc/88/08/94/644880894.db2.gz OJULUAVTXFHCEI-ZJUUUORDSA-N 2 2 202.298 -0.323 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H](O)COC ZINC000252688473 644880889 /nfs/dbraw/zinc/88/08/89/644880889.db2.gz OJULUAVTXFHCEI-ZJUUUORDSA-N 2 2 202.298 -0.323 20 0 BBADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000252712586 385211999 /nfs/dbraw/zinc/21/19/99/385211999.db2.gz MUKMVTBIJDXHGF-GRYCIOLGSA-N 3 2 229.368 -0.161 20 0 BBADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000252712587 385211701 /nfs/dbraw/zinc/21/17/01/385211701.db2.gz MUKMVTBIJDXHGF-IJLUTSLNSA-N 3 2 229.368 -0.161 20 0 BBADLP CO[C@H](C)CCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000252764344 349212755 /nfs/dbraw/zinc/21/27/55/349212755.db2.gz OUIWPKMSYWBTNS-GHMZBOCLSA-N 2 2 243.351 -0.097 20 0 BBADLP CO[C@H](C)CCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000252764344 349212752 /nfs/dbraw/zinc/21/27/52/349212752.db2.gz OUIWPKMSYWBTNS-GHMZBOCLSA-N 2 2 243.351 -0.097 20 0 BBADLP CO[C@@H](C)CCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000252764347 349212792 /nfs/dbraw/zinc/21/27/92/349212792.db2.gz OUIWPKMSYWBTNS-WDEREUQCSA-N 2 2 243.351 -0.097 20 0 BBADLP CO[C@@H](C)CCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000252764347 349212788 /nfs/dbraw/zinc/21/27/88/349212788.db2.gz OUIWPKMSYWBTNS-WDEREUQCSA-N 2 2 243.351 -0.097 20 0 BBADLP CO[C@H]1CC[N@@H+](CCC(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000252776906 349214590 /nfs/dbraw/zinc/21/45/90/349214590.db2.gz PRDGGXFRXVUDBF-QWRGUYRKSA-N 2 2 243.351 -0.097 20 0 BBADLP CO[C@H]1CC[N@H+](CCC(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000252776906 349214588 /nfs/dbraw/zinc/21/45/88/349214588.db2.gz PRDGGXFRXVUDBF-QWRGUYRKSA-N 2 2 243.351 -0.097 20 0 BBADLP CO[C@@H]1CC[N@@H+](CCC(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000252776908 349214256 /nfs/dbraw/zinc/21/42/56/349214256.db2.gz PRDGGXFRXVUDBF-WDEREUQCSA-N 2 2 243.351 -0.097 20 0 BBADLP CO[C@@H]1CC[N@H+](CCC(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000252776908 349214253 /nfs/dbraw/zinc/21/42/53/349214253.db2.gz PRDGGXFRXVUDBF-WDEREUQCSA-N 2 2 243.351 -0.097 20 0 BBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252780436 136226830 /nfs/dbraw/zinc/22/68/30/136226830.db2.gz QQOMIHCZIMRSLY-DTWKUNHWSA-N 2 2 242.323 -0.499 20 0 BBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252780436 136226829 /nfs/dbraw/zinc/22/68/29/136226829.db2.gz QQOMIHCZIMRSLY-DTWKUNHWSA-N 2 2 242.323 -0.499 20 0 BBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252780437 136226787 /nfs/dbraw/zinc/22/67/87/136226787.db2.gz QQOMIHCZIMRSLY-IUCAKERBSA-N 2 2 242.323 -0.499 20 0 BBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252780437 136226786 /nfs/dbraw/zinc/22/67/86/136226786.db2.gz QQOMIHCZIMRSLY-IUCAKERBSA-N 2 2 242.323 -0.499 20 0 BBADLP C[C@@H](O)CC[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000252869918 487836956 /nfs/dbraw/zinc/83/69/56/487836956.db2.gz NYWYMAVAJDGPQY-NXEZZACHSA-N 2 2 202.298 -0.323 20 0 BBADLP C[C@H](O)CC[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000252869919 487836614 /nfs/dbraw/zinc/83/66/14/487836614.db2.gz NYWYMAVAJDGPQY-VHSXEESVSA-N 2 2 202.298 -0.323 20 0 BBADLP C[C@H](C[S@](C)=O)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000252951071 347788476 /nfs/dbraw/zinc/78/84/76/347788476.db2.gz OZXXUIHWRMVVSW-GDLVEWKHSA-N 2 2 248.392 -0.200 20 0 BBADLP C[C@H](C[S@@](C)=O)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000252951073 347788521 /nfs/dbraw/zinc/78/85/21/347788521.db2.gz OZXXUIHWRMVVSW-OHUAYANFSA-N 2 2 248.392 -0.200 20 0 BBADLP CCn1nccc1CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000253102481 350918652 /nfs/dbraw/zinc/91/86/52/350918652.db2.gz REYVUYLGSADICN-GFCCVEGCSA-N 2 2 237.351 -0.022 20 0 BBADLP CCn1nccc1CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000253102481 350918649 /nfs/dbraw/zinc/91/86/49/350918649.db2.gz REYVUYLGSADICN-GFCCVEGCSA-N 2 2 237.351 -0.022 20 0 BBADLP COC[C@H](C)CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000253128389 349225355 /nfs/dbraw/zinc/22/53/55/349225355.db2.gz TWSQRDBLFZZTNV-GHMZBOCLSA-N 2 2 215.341 -0.156 20 0 BBADLP COC[C@H](C)CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000253128389 349225350 /nfs/dbraw/zinc/22/53/50/349225350.db2.gz TWSQRDBLFZZTNV-GHMZBOCLSA-N 2 2 215.341 -0.156 20 0 BBADLP COC[C@@H](C)CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000253128390 349225112 /nfs/dbraw/zinc/22/51/12/349225112.db2.gz TWSQRDBLFZZTNV-WDEREUQCSA-N 2 2 215.341 -0.156 20 0 BBADLP COC[C@@H](C)CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000253128390 349225110 /nfs/dbraw/zinc/22/51/10/349225110.db2.gz TWSQRDBLFZZTNV-WDEREUQCSA-N 2 2 215.341 -0.156 20 0 BBADLP Cn1cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000257670880 135138748 /nfs/dbraw/zinc/13/87/48/135138748.db2.gz DTKMHPDNUWTVGD-CYBMUJFWSA-N 2 2 249.362 -0.100 20 0 BBADLP Cn1cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cn1 ZINC000257670881 135138393 /nfs/dbraw/zinc/13/83/93/135138393.db2.gz DTKMHPDNUWTVGD-ZDUSSCGKSA-N 2 2 249.362 -0.100 20 0 BBADLP c1cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)n[nH]1 ZINC000257707028 135139688 /nfs/dbraw/zinc/13/96/88/135139688.db2.gz MRSUWCPFSHHJSV-GFCCVEGCSA-N 2 2 235.335 -0.111 20 0 BBADLP c1cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)n[nH]1 ZINC000257707030 135140034 /nfs/dbraw/zinc/14/00/34/135140034.db2.gz MRSUWCPFSHHJSV-LBPRGKRZSA-N 2 2 235.335 -0.111 20 0 BBADLP [NH3+]CCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000257746057 349482704 /nfs/dbraw/zinc/48/27/04/349482704.db2.gz FJGJAKUKFAAEMZ-GFCCVEGCSA-N 3 2 227.352 -0.011 20 0 BBADLP [NH3+]CCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000257746057 349482702 /nfs/dbraw/zinc/48/27/02/349482702.db2.gz FJGJAKUKFAAEMZ-GFCCVEGCSA-N 3 2 227.352 -0.011 20 0 BBADLP [NH3+]CCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000257746059 349483008 /nfs/dbraw/zinc/48/30/08/349483008.db2.gz FJGJAKUKFAAEMZ-LBPRGKRZSA-N 3 2 227.352 -0.011 20 0 BBADLP [NH3+]CCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000257746059 349483004 /nfs/dbraw/zinc/48/30/04/349483004.db2.gz FJGJAKUKFAAEMZ-LBPRGKRZSA-N 3 2 227.352 -0.011 20 0 BBADLP [NH3+]CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000257762230 135100212 /nfs/dbraw/zinc/10/02/12/135100212.db2.gz XTCSRULWIXWEEJ-UHFFFAOYSA-N 3 2 227.352 -0.011 20 0 BBADLP c1nc(NC2C[NH2+]C2)cc(N2CCOCC2)[nH+]1 ZINC000258568784 384611825 /nfs/dbraw/zinc/61/18/25/384611825.db2.gz CRGJTHJFXJHZJS-UHFFFAOYSA-N 2 2 235.291 -0.303 20 0 BBADLP CN(C)c1cc(NC[C@@H]2COCC[NH2+]2)nc[nH+]1 ZINC000258595861 635174106 /nfs/dbraw/zinc/17/41/06/635174106.db2.gz GWXNRRKTJYFIBG-SECBINFHSA-N 2 2 237.307 -0.057 20 0 BBADLP CN(C)c1cc(NC[C@H]2COCC[NH2+]2)nc[nH+]1 ZINC000258595863 635172645 /nfs/dbraw/zinc/17/26/45/635172645.db2.gz GWXNRRKTJYFIBG-VIFPVBQESA-N 2 2 237.307 -0.057 20 0 BBADLP CN(C)c1cc(N2CCO[C@@H](C[NH3+])C2)[nH+]cn1 ZINC000258775964 635197629 /nfs/dbraw/zinc/19/76/29/635197629.db2.gz QVYMPTCKAXZYOL-VIFPVBQESA-N 2 2 237.307 -0.294 20 0 BBADLP CN(C)c1cc(N2CCO[C@@H](C[NH3+])C2)nc[nH+]1 ZINC000258775964 635197625 /nfs/dbraw/zinc/19/76/25/635197625.db2.gz QVYMPTCKAXZYOL-VIFPVBQESA-N 2 2 237.307 -0.294 20 0 BBADLP COCCCNC(=O)C1CC[NH+](CC[NH3+])CC1 ZINC000258787750 135103295 /nfs/dbraw/zinc/10/32/95/135103295.db2.gz RILAPGBARPQKKZ-UHFFFAOYSA-N 2 2 243.351 -0.190 20 0 BBADLP C[NH+]1CCC(NC[C@@H]2COCC[NH2+]2)CC1 ZINC000258944906 384951602 /nfs/dbraw/zinc/95/16/02/384951602.db2.gz QBBUZLNGGQQNDV-LLVKDONJSA-N 2 2 213.325 -0.341 20 0 BBADLP C[NH+]1CCC([NH2+]C[C@@H]2COCCN2)CC1 ZINC000258944906 384951597 /nfs/dbraw/zinc/95/15/97/384951597.db2.gz QBBUZLNGGQQNDV-LLVKDONJSA-N 2 2 213.325 -0.341 20 0 BBADLP C[NH+]1CCC(NC[C@H]2COCC[NH2+]2)CC1 ZINC000258944908 384950579 /nfs/dbraw/zinc/95/05/79/384950579.db2.gz QBBUZLNGGQQNDV-NSHDSACASA-N 2 2 213.325 -0.341 20 0 BBADLP C[NH+]1CCC([NH2+]C[C@H]2COCCN2)CC1 ZINC000258944908 384950570 /nfs/dbraw/zinc/95/05/70/384950570.db2.gz QBBUZLNGGQQNDV-NSHDSACASA-N 2 2 213.325 -0.341 20 0 BBADLP COC[C@H]1C[NH2+]CCN1CC[NH+]1CCOCC1 ZINC000259109212 635242355 /nfs/dbraw/zinc/24/23/55/635242355.db2.gz GEOJAFYCESBURG-GFCCVEGCSA-N 2 2 243.351 -0.761 20 0 BBADLP COC[C@@H]1C[NH2+]CCN1CC[NH+]1CCOCC1 ZINC000259109215 635241874 /nfs/dbraw/zinc/24/18/74/635241874.db2.gz GEOJAFYCESBURG-LBPRGKRZSA-N 2 2 243.351 -0.761 20 0 BBADLP COCCOC[C@H]1CC[N@@H+](CC[NH3+])C1 ZINC000261528801 135154574 /nfs/dbraw/zinc/15/45/74/135154574.db2.gz NYKDIZGJCNRWLX-JTQLQIEISA-N 2 2 202.298 -0.070 20 0 BBADLP COCCOC[C@H]1CC[N@H+](CC[NH3+])C1 ZINC000261528801 135154573 /nfs/dbraw/zinc/15/45/73/135154573.db2.gz NYKDIZGJCNRWLX-JTQLQIEISA-N 2 2 202.298 -0.070 20 0 BBADLP COCCOC[C@@H]1CC[N@@H+](CC[NH3+])C1 ZINC000261528802 536533806 /nfs/dbraw/zinc/53/38/06/536533806.db2.gz NYKDIZGJCNRWLX-SNVBAGLBSA-N 2 2 202.298 -0.070 20 0 BBADLP COCCOC[C@@H]1CC[N@H+](CC[NH3+])C1 ZINC000261528802 536533797 /nfs/dbraw/zinc/53/37/97/536533797.db2.gz NYKDIZGJCNRWLX-SNVBAGLBSA-N 2 2 202.298 -0.070 20 0 BBADLP Cc1cc(NC(=O)CNC(=O)C[NH3+])cc[nH+]1 ZINC000261530577 135157939 /nfs/dbraw/zinc/15/79/39/135157939.db2.gz KETOGGRXAARXFA-UHFFFAOYSA-N 2 2 222.248 -0.597 20 0 BBADLP CCS(=O)(=O)CC[NH2+]CC1([NH3+])CCC1 ZINC000261531967 135161476 /nfs/dbraw/zinc/16/14/76/135161476.db2.gz INSMWVMQCJAFKO-UHFFFAOYSA-N 2 2 220.338 -0.108 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCn1cncn1 ZINC000261532153 536458898 /nfs/dbraw/zinc/45/88/98/536458898.db2.gz JKQLVXYCXFATLZ-JTQLQIEISA-N 2 2 209.297 -0.038 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCn1cncn1 ZINC000261532153 536458897 /nfs/dbraw/zinc/45/88/97/536458897.db2.gz JKQLVXYCXFATLZ-JTQLQIEISA-N 2 2 209.297 -0.038 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@H+]1CCn1cncn1 ZINC000261532154 135162530 /nfs/dbraw/zinc/16/25/30/135162530.db2.gz JKQLVXYCXFATLZ-SNVBAGLBSA-N 2 2 209.297 -0.038 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCn1cncn1 ZINC000261532154 135162529 /nfs/dbraw/zinc/16/25/29/135162529.db2.gz JKQLVXYCXFATLZ-SNVBAGLBSA-N 2 2 209.297 -0.038 20 0 BBADLP CCNC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261533584 135165004 /nfs/dbraw/zinc/16/50/04/135165004.db2.gz KZLGASHCFHRJKZ-LLVKDONJSA-N 2 2 211.309 -0.192 20 0 BBADLP CCNC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261533584 135165002 /nfs/dbraw/zinc/16/50/02/135165002.db2.gz KZLGASHCFHRJKZ-LLVKDONJSA-N 2 2 211.309 -0.192 20 0 BBADLP CCNC(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261533585 135165115 /nfs/dbraw/zinc/16/51/15/135165115.db2.gz KZLGASHCFHRJKZ-NSHDSACASA-N 2 2 211.309 -0.192 20 0 BBADLP CCNC(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261533585 135165114 /nfs/dbraw/zinc/16/51/14/135165114.db2.gz KZLGASHCFHRJKZ-NSHDSACASA-N 2 2 211.309 -0.192 20 0 BBADLP C[C@@H]1C[N@@H+](C)CCN1Cc1noc(C[NH3+])n1 ZINC000261534206 135166743 /nfs/dbraw/zinc/16/67/43/135166743.db2.gz OTBMORCYWKREFK-MRVPVSSYSA-N 2 2 225.296 -0.336 20 0 BBADLP C[C@@H]1C[N@H+](C)CCN1Cc1noc(C[NH3+])n1 ZINC000261534206 135166742 /nfs/dbraw/zinc/16/67/42/135166742.db2.gz OTBMORCYWKREFK-MRVPVSSYSA-N 2 2 225.296 -0.336 20 0 BBADLP C[C@H]1C[N@@H+](C)CCN1Cc1noc(C[NH3+])n1 ZINC000261534208 135166772 /nfs/dbraw/zinc/16/67/72/135166772.db2.gz OTBMORCYWKREFK-QMMMGPOBSA-N 2 2 225.296 -0.336 20 0 BBADLP C[C@H]1C[N@H+](C)CCN1Cc1noc(C[NH3+])n1 ZINC000261534208 135166771 /nfs/dbraw/zinc/16/67/71/135166771.db2.gz OTBMORCYWKREFK-QMMMGPOBSA-N 2 2 225.296 -0.336 20 0 BBADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1COCC[NH2+]1 ZINC000261535400 135169580 /nfs/dbraw/zinc/16/95/80/135169580.db2.gz YEUYNBRNTMPXLD-NXEZZACHSA-N 2 2 227.308 -0.863 20 0 BBADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1COCC[NH2+]1 ZINC000261535400 135169579 /nfs/dbraw/zinc/16/95/79/135169579.db2.gz YEUYNBRNTMPXLD-NXEZZACHSA-N 2 2 227.308 -0.863 20 0 BBADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1COCC[NH2+]1 ZINC000261535401 135169857 /nfs/dbraw/zinc/16/98/57/135169857.db2.gz YEUYNBRNTMPXLD-VHSXEESVSA-N 2 2 227.308 -0.863 20 0 BBADLP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1COCC[NH2+]1 ZINC000261535401 135169855 /nfs/dbraw/zinc/16/98/55/135169855.db2.gz YEUYNBRNTMPXLD-VHSXEESVSA-N 2 2 227.308 -0.863 20 0 BBADLP CN(C)c1ccc(CNC(=O)C[NH3+])c[nH+]1 ZINC000261535549 135169973 /nfs/dbraw/zinc/16/99/73/135169973.db2.gz ONTUMAYTXCXYDF-UHFFFAOYSA-N 2 2 208.265 -0.278 20 0 BBADLP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CSC[NH2+]1 ZINC000261535788 135170806 /nfs/dbraw/zinc/17/08/06/135170806.db2.gz PFDJOBDIQSVAJQ-DTWKUNHWSA-N 2 2 229.349 -0.141 20 0 BBADLP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CSC[NH2+]1 ZINC000261535788 135170804 /nfs/dbraw/zinc/17/08/04/135170804.db2.gz PFDJOBDIQSVAJQ-DTWKUNHWSA-N 2 2 229.349 -0.141 20 0 BBADLP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CSC[NH2+]1 ZINC000261535789 536373805 /nfs/dbraw/zinc/37/38/05/536373805.db2.gz PFDJOBDIQSVAJQ-RKDXNWHRSA-N 2 2 229.349 -0.141 20 0 BBADLP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CSC[NH2+]1 ZINC000261535789 536373801 /nfs/dbraw/zinc/37/38/01/536373801.db2.gz PFDJOBDIQSVAJQ-RKDXNWHRSA-N 2 2 229.349 -0.141 20 0 BBADLP COC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000261536009 135170322 /nfs/dbraw/zinc/17/03/22/135170322.db2.gz QAWFYXIYDOXRDF-BDAKNGLRSA-N 2 2 215.297 -0.877 20 0 BBADLP COC[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000261536009 135170319 /nfs/dbraw/zinc/17/03/19/135170319.db2.gz QAWFYXIYDOXRDF-BDAKNGLRSA-N 2 2 215.297 -0.877 20 0 BBADLP COC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000261536010 536657280 /nfs/dbraw/zinc/65/72/80/536657280.db2.gz QAWFYXIYDOXRDF-DTWKUNHWSA-N 2 2 215.297 -0.877 20 0 BBADLP COC[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000261536010 536657275 /nfs/dbraw/zinc/65/72/75/536657275.db2.gz QAWFYXIYDOXRDF-DTWKUNHWSA-N 2 2 215.297 -0.877 20 0 BBADLP COC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000261536011 536657430 /nfs/dbraw/zinc/65/74/30/536657430.db2.gz QAWFYXIYDOXRDF-RKDXNWHRSA-N 2 2 215.297 -0.877 20 0 BBADLP COC[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000261536011 536657424 /nfs/dbraw/zinc/65/74/24/536657424.db2.gz QAWFYXIYDOXRDF-RKDXNWHRSA-N 2 2 215.297 -0.877 20 0 BBADLP [NH3+]CC[N@@H+](CCO)CCOCC1CC1 ZINC000261536108 135171158 /nfs/dbraw/zinc/17/11/58/135171158.db2.gz QJVXDXVBYDIPQO-UHFFFAOYSA-N 2 2 202.298 -0.334 20 0 BBADLP [NH3+]CC[N@H+](CCO)CCOCC1CC1 ZINC000261536108 135171157 /nfs/dbraw/zinc/17/11/57/135171157.db2.gz QJVXDXVBYDIPQO-UHFFFAOYSA-N 2 2 202.298 -0.334 20 0 BBADLP CCNC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261536229 135171740 /nfs/dbraw/zinc/17/17/40/135171740.db2.gz QVYNFFBUWUHUIS-NXEZZACHSA-N 2 2 211.309 -0.194 20 0 BBADLP CCNC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261536229 135171738 /nfs/dbraw/zinc/17/17/38/135171738.db2.gz QVYNFFBUWUHUIS-NXEZZACHSA-N 2 2 211.309 -0.194 20 0 BBADLP CCNC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261536230 135171352 /nfs/dbraw/zinc/17/13/52/135171352.db2.gz QVYNFFBUWUHUIS-UWVGGRQHSA-N 2 2 211.309 -0.194 20 0 BBADLP CCNC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261536230 135171351 /nfs/dbraw/zinc/17/13/51/135171351.db2.gz QVYNFFBUWUHUIS-UWVGGRQHSA-N 2 2 211.309 -0.194 20 0 BBADLP CCNC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261536231 135171685 /nfs/dbraw/zinc/17/16/85/135171685.db2.gz QVYNFFBUWUHUIS-VHSXEESVSA-N 2 2 211.309 -0.194 20 0 BBADLP CCNC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261536231 135171683 /nfs/dbraw/zinc/17/16/83/135171683.db2.gz QVYNFFBUWUHUIS-VHSXEESVSA-N 2 2 211.309 -0.194 20 0 BBADLP CCNC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261536232 135171117 /nfs/dbraw/zinc/17/11/17/135171117.db2.gz QVYNFFBUWUHUIS-ZJUUUORDSA-N 2 2 211.309 -0.194 20 0 BBADLP CCNC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261536232 135171116 /nfs/dbraw/zinc/17/11/16/135171116.db2.gz QVYNFFBUWUHUIS-ZJUUUORDSA-N 2 2 211.309 -0.194 20 0 BBADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)NC2CC2)C1 ZINC000261536655 135171889 /nfs/dbraw/zinc/17/18/89/135171889.db2.gz SJQFARZQYFZKPA-LLVKDONJSA-N 2 2 211.309 -0.064 20 0 BBADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)NC2CC2)C1 ZINC000261536655 135171888 /nfs/dbraw/zinc/17/18/88/135171888.db2.gz SJQFARZQYFZKPA-LLVKDONJSA-N 2 2 211.309 -0.064 20 0 BBADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NC2CC2)C1 ZINC000261536656 135171991 /nfs/dbraw/zinc/17/19/91/135171991.db2.gz SJQFARZQYFZKPA-NSHDSACASA-N 2 2 211.309 -0.064 20 0 BBADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)NC2CC2)C1 ZINC000261536656 135171989 /nfs/dbraw/zinc/17/19/89/135171989.db2.gz SJQFARZQYFZKPA-NSHDSACASA-N 2 2 211.309 -0.064 20 0 BBADLP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)CC[C@H]1[NH3+] ZINC000261536784 135172728 /nfs/dbraw/zinc/17/27/28/135172728.db2.gz SXRAWPHCOAPMIH-PSASIEDQSA-N 2 2 209.297 -0.016 20 0 BBADLP C[C@@H]1C[N@H+](Cc2cn(C)nn2)CC[C@H]1[NH3+] ZINC000261536784 135172726 /nfs/dbraw/zinc/17/27/26/135172726.db2.gz SXRAWPHCOAPMIH-PSASIEDQSA-N 2 2 209.297 -0.016 20 0 BBADLP C[C@H]1C[N@@H+](Cc2cn(C)nn2)CC[C@H]1[NH3+] ZINC000261536785 135172709 /nfs/dbraw/zinc/17/27/09/135172709.db2.gz SXRAWPHCOAPMIH-WCBMZHEXSA-N 2 2 209.297 -0.016 20 0 BBADLP C[C@H]1C[N@H+](Cc2cn(C)nn2)CC[C@H]1[NH3+] ZINC000261536785 135172705 /nfs/dbraw/zinc/17/27/05/135172705.db2.gz SXRAWPHCOAPMIH-WCBMZHEXSA-N 2 2 209.297 -0.016 20 0 BBADLP CC[C@H]1C(=O)NCC[N@@H+]1CCOCC[NH3+] ZINC000261537359 135173772 /nfs/dbraw/zinc/17/37/72/135173772.db2.gz VJVIHUUNEUBCJF-VIFPVBQESA-N 2 2 215.297 -0.828 20 0 BBADLP CC[C@H]1C(=O)NCC[N@H+]1CCOCC[NH3+] ZINC000261537359 135173771 /nfs/dbraw/zinc/17/37/71/135173771.db2.gz VJVIHUUNEUBCJF-VIFPVBQESA-N 2 2 215.297 -0.828 20 0 BBADLP C[N@@H+](CCn1cncn1)[C@@H](C[NH3+])C1CC1 ZINC000261537986 536415118 /nfs/dbraw/zinc/41/51/18/536415118.db2.gz WZNCMCKHDSQYNE-JTQLQIEISA-N 2 2 209.297 -0.053 20 0 BBADLP C[N@H+](CCn1cncn1)[C@@H](C[NH3+])C1CC1 ZINC000261537986 536415116 /nfs/dbraw/zinc/41/51/16/536415116.db2.gz WZNCMCKHDSQYNE-JTQLQIEISA-N 2 2 209.297 -0.053 20 0 BBADLP C[N@@H+](CCn1cncn1)[C@H](C[NH3+])C1CC1 ZINC000261537987 536414423 /nfs/dbraw/zinc/41/44/23/536414423.db2.gz WZNCMCKHDSQYNE-SNVBAGLBSA-N 2 2 209.297 -0.053 20 0 BBADLP C[N@H+](CCn1cncn1)[C@H](C[NH3+])C1CC1 ZINC000261537987 536414420 /nfs/dbraw/zinc/41/44/20/536414420.db2.gz WZNCMCKHDSQYNE-SNVBAGLBSA-N 2 2 209.297 -0.053 20 0 BBADLP CC(C)([NH3+])C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000261538009 135175610 /nfs/dbraw/zinc/17/56/10/135175610.db2.gz XDHULEOCUDZCQO-SSDOTTSWSA-N 2 2 200.286 -0.534 20 0 BBADLP CC(C)([NH3+])C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000261538009 135175609 /nfs/dbraw/zinc/17/56/09/135175609.db2.gz XDHULEOCUDZCQO-SSDOTTSWSA-N 2 2 200.286 -0.534 20 0 BBADLP CC(C)([NH3+])C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000261538010 135175352 /nfs/dbraw/zinc/17/53/52/135175352.db2.gz XDHULEOCUDZCQO-ZETCQYMHSA-N 2 2 200.286 -0.534 20 0 BBADLP CC(C)([NH3+])C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000261538010 135175351 /nfs/dbraw/zinc/17/53/51/135175351.db2.gz XDHULEOCUDZCQO-ZETCQYMHSA-N 2 2 200.286 -0.534 20 0 BBADLP [NH3+]CCN1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000261538606 135176277 /nfs/dbraw/zinc/17/62/77/135176277.db2.gz YSGOVAVWRBZDAD-UHFFFAOYSA-N 2 2 209.297 -0.514 20 0 BBADLP Cn1nncc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000261539096 135177227 /nfs/dbraw/zinc/17/72/27/135177227.db2.gz BNLISAQKRPQLQS-DTORHVGOSA-N 2 2 207.281 -0.534 20 0 BBADLP Cn1nncc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000261539096 135177226 /nfs/dbraw/zinc/17/72/26/135177226.db2.gz BNLISAQKRPQLQS-DTORHVGOSA-N 2 2 207.281 -0.534 20 0 BBADLP C[C@@H]1C[N@@H+](Cc2cnnn2C)CC[C@H]1[NH3+] ZINC000261539655 135178791 /nfs/dbraw/zinc/17/87/91/135178791.db2.gz CXNAAEOTYRVPIW-PSASIEDQSA-N 2 2 209.297 -0.016 20 0 BBADLP C[C@@H]1C[N@H+](Cc2cnnn2C)CC[C@H]1[NH3+] ZINC000261539655 135178790 /nfs/dbraw/zinc/17/87/90/135178790.db2.gz CXNAAEOTYRVPIW-PSASIEDQSA-N 2 2 209.297 -0.016 20 0 BBADLP C[C@@H]1C[N@@H+](Cc2cnnn2C)CC[C@@H]1[NH3+] ZINC000261539657 135178355 /nfs/dbraw/zinc/17/83/55/135178355.db2.gz CXNAAEOTYRVPIW-SCZZXKLOSA-N 2 2 209.297 -0.016 20 0 BBADLP C[C@@H]1C[N@H+](Cc2cnnn2C)CC[C@@H]1[NH3+] ZINC000261539657 135178353 /nfs/dbraw/zinc/17/83/53/135178353.db2.gz CXNAAEOTYRVPIW-SCZZXKLOSA-N 2 2 209.297 -0.016 20 0 BBADLP C[C@H]1C[N@@H+](Cc2cnnn2C)CC[C@H]1[NH3+] ZINC000261539659 135178590 /nfs/dbraw/zinc/17/85/90/135178590.db2.gz CXNAAEOTYRVPIW-WCBMZHEXSA-N 2 2 209.297 -0.016 20 0 BBADLP C[C@H]1C[N@H+](Cc2cnnn2C)CC[C@H]1[NH3+] ZINC000261539659 135178589 /nfs/dbraw/zinc/17/85/89/135178589.db2.gz CXNAAEOTYRVPIW-WCBMZHEXSA-N 2 2 209.297 -0.016 20 0 BBADLP C[C@H]1C[N@@H+](Cc2cnnn2C)CC[C@@H]1[NH3+] ZINC000261539661 135178664 /nfs/dbraw/zinc/17/86/64/135178664.db2.gz CXNAAEOTYRVPIW-WPRPVWTQSA-N 2 2 209.297 -0.016 20 0 BBADLP C[C@H]1C[N@H+](Cc2cnnn2C)CC[C@@H]1[NH3+] ZINC000261539661 135178663 /nfs/dbraw/zinc/17/86/63/135178663.db2.gz CXNAAEOTYRVPIW-WPRPVWTQSA-N 2 2 209.297 -0.016 20 0 BBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261540953 135179849 /nfs/dbraw/zinc/17/98/49/135179849.db2.gz ARUKKPDFQKAAMI-LLVKDONJSA-N 2 2 240.307 -0.873 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261540953 135179848 /nfs/dbraw/zinc/17/98/48/135179848.db2.gz ARUKKPDFQKAAMI-LLVKDONJSA-N 2 2 240.307 -0.873 20 0 BBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261540954 135179987 /nfs/dbraw/zinc/17/99/87/135179987.db2.gz ARUKKPDFQKAAMI-NSHDSACASA-N 2 2 240.307 -0.873 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261540954 135179985 /nfs/dbraw/zinc/17/99/85/135179985.db2.gz ARUKKPDFQKAAMI-NSHDSACASA-N 2 2 240.307 -0.873 20 0 BBADLP C[NH2+]CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000261543744 135184630 /nfs/dbraw/zinc/18/46/30/135184630.db2.gz ICPDQIMNXTYHOO-SECBINFHSA-N 2 2 215.297 -0.957 20 0 BBADLP C[NH2+]CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000261543745 135184826 /nfs/dbraw/zinc/18/48/26/135184826.db2.gz ICPDQIMNXTYHOO-VIFPVBQESA-N 2 2 215.297 -0.957 20 0 BBADLP C[C@@H]1CC[N@@H+](CCC(=O)NC(N)=O)[C@H](C[NH3+])C1 ZINC000261543799 135184732 /nfs/dbraw/zinc/18/47/32/135184732.db2.gz VBRASGRZPCYBER-BDAKNGLRSA-N 2 2 242.323 -0.369 20 0 BBADLP C[C@@H]1CC[N@H+](CCC(=O)NC(N)=O)[C@H](C[NH3+])C1 ZINC000261543799 135184731 /nfs/dbraw/zinc/18/47/31/135184731.db2.gz VBRASGRZPCYBER-BDAKNGLRSA-N 2 2 242.323 -0.369 20 0 BBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261544917 135186073 /nfs/dbraw/zinc/18/60/73/135186073.db2.gz FGMDYJDKYOLIAF-LLVKDONJSA-N 2 2 242.323 -0.497 20 0 BBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261544917 135186072 /nfs/dbraw/zinc/18/60/72/135186072.db2.gz FGMDYJDKYOLIAF-LLVKDONJSA-N 2 2 242.323 -0.497 20 0 BBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261544918 135186259 /nfs/dbraw/zinc/18/62/59/135186259.db2.gz FGMDYJDKYOLIAF-NSHDSACASA-N 2 2 242.323 -0.497 20 0 BBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261544918 135186258 /nfs/dbraw/zinc/18/62/58/135186258.db2.gz FGMDYJDKYOLIAF-NSHDSACASA-N 2 2 242.323 -0.497 20 0 BBADLP CNC(=O)N[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000261546878 135239106 /nfs/dbraw/zinc/23/91/06/135239106.db2.gz LKYPNXSIRSWRBO-MRVPVSSYSA-N 2 2 214.313 -0.273 20 0 BBADLP CNC(=O)N[C@@H]1CC[N@H+](CC(C)(C)[NH3+])C1 ZINC000261546878 135239104 /nfs/dbraw/zinc/23/91/04/135239104.db2.gz LKYPNXSIRSWRBO-MRVPVSSYSA-N 2 2 214.313 -0.273 20 0 BBADLP CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000261546879 135239568 /nfs/dbraw/zinc/23/95/68/135239568.db2.gz LKYPNXSIRSWRBO-QMMMGPOBSA-N 2 2 214.313 -0.273 20 0 BBADLP CNC(=O)N[C@H]1CC[N@H+](CC(C)(C)[NH3+])C1 ZINC000261546879 135239567 /nfs/dbraw/zinc/23/95/67/135239567.db2.gz LKYPNXSIRSWRBO-QMMMGPOBSA-N 2 2 214.313 -0.273 20 0 BBADLP CS(=O)(=O)NCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000261547198 135240137 /nfs/dbraw/zinc/24/01/37/135240137.db2.gz MACJLADKYDWDAY-SECBINFHSA-N 2 2 235.353 -0.794 20 0 BBADLP CS(=O)(=O)NCC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000261547198 135240136 /nfs/dbraw/zinc/24/01/36/135240136.db2.gz MACJLADKYDWDAY-SECBINFHSA-N 2 2 235.353 -0.794 20 0 BBADLP CS(=O)(=O)NCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000261547199 135240344 /nfs/dbraw/zinc/24/03/44/135240344.db2.gz MACJLADKYDWDAY-VIFPVBQESA-N 2 2 235.353 -0.794 20 0 BBADLP CS(=O)(=O)NCC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000261547199 135240343 /nfs/dbraw/zinc/24/03/43/135240343.db2.gz MACJLADKYDWDAY-VIFPVBQESA-N 2 2 235.353 -0.794 20 0 BBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261549305 135188229 /nfs/dbraw/zinc/18/82/29/135188229.db2.gz KJVBPRQKIZCDOJ-BDAKNGLRSA-N 2 2 240.307 -0.874 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261549305 135188227 /nfs/dbraw/zinc/18/82/27/135188227.db2.gz KJVBPRQKIZCDOJ-BDAKNGLRSA-N 2 2 240.307 -0.874 20 0 BBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261549306 135188491 /nfs/dbraw/zinc/18/84/91/135188491.db2.gz KJVBPRQKIZCDOJ-DTWKUNHWSA-N 2 2 240.307 -0.874 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261549306 135188489 /nfs/dbraw/zinc/18/84/89/135188489.db2.gz KJVBPRQKIZCDOJ-DTWKUNHWSA-N 2 2 240.307 -0.874 20 0 BBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261549307 135188100 /nfs/dbraw/zinc/18/81/00/135188100.db2.gz KJVBPRQKIZCDOJ-IUCAKERBSA-N 2 2 240.307 -0.874 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261549307 135188098 /nfs/dbraw/zinc/18/80/98/135188098.db2.gz KJVBPRQKIZCDOJ-IUCAKERBSA-N 2 2 240.307 -0.874 20 0 BBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261549308 135188734 /nfs/dbraw/zinc/18/87/34/135188734.db2.gz KJVBPRQKIZCDOJ-RKDXNWHRSA-N 2 2 240.307 -0.874 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261549308 135188733 /nfs/dbraw/zinc/18/87/33/135188733.db2.gz KJVBPRQKIZCDOJ-RKDXNWHRSA-N 2 2 240.307 -0.874 20 0 BBADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261550646 135189564 /nfs/dbraw/zinc/18/95/64/135189564.db2.gz LJDFLVWRVGEWSS-GZMMTYOYSA-N 2 2 240.307 -0.745 20 0 BBADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261550646 135189562 /nfs/dbraw/zinc/18/95/62/135189562.db2.gz LJDFLVWRVGEWSS-GZMMTYOYSA-N 2 2 240.307 -0.745 20 0 BBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261550647 135188949 /nfs/dbraw/zinc/18/89/49/135188949.db2.gz LJDFLVWRVGEWSS-KCJUWKMLSA-N 2 2 240.307 -0.745 20 0 BBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261550647 135188948 /nfs/dbraw/zinc/18/89/48/135188948.db2.gz LJDFLVWRVGEWSS-KCJUWKMLSA-N 2 2 240.307 -0.745 20 0 BBADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261550648 135188979 /nfs/dbraw/zinc/18/89/79/135188979.db2.gz LJDFLVWRVGEWSS-KWQFWETISA-N 2 2 240.307 -0.745 20 0 BBADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261550648 135188978 /nfs/dbraw/zinc/18/89/78/135188978.db2.gz LJDFLVWRVGEWSS-KWQFWETISA-N 2 2 240.307 -0.745 20 0 BBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261550649 135189192 /nfs/dbraw/zinc/18/91/92/135189192.db2.gz LJDFLVWRVGEWSS-LDYMZIIASA-N 2 2 240.307 -0.745 20 0 BBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261550649 135189191 /nfs/dbraw/zinc/18/91/91/135189191.db2.gz LJDFLVWRVGEWSS-LDYMZIIASA-N 2 2 240.307 -0.745 20 0 BBADLP C[NH2+]CC(=O)NCc1ccc[nH+]c1N(C)C ZINC000261552302 135190966 /nfs/dbraw/zinc/19/09/66/135190966.db2.gz RATLMCKYYZKXDT-UHFFFAOYSA-N 2 2 222.292 -0.017 20 0 BBADLP C[NH+](C)CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000261553718 535888135 /nfs/dbraw/zinc/88/81/35/535888135.db2.gz SRINMYZFFFNIMR-SSDOTTSWSA-N 2 2 221.251 -0.339 20 0 BBADLP C[NH+](C)CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000261553719 535886658 /nfs/dbraw/zinc/88/66/58/535886658.db2.gz SRINMYZFFFNIMR-ZETCQYMHSA-N 2 2 221.251 -0.339 20 0 BBADLP C[C@H](C[NH3+])[N@@H+](C)CCN1C(=O)CCC1=O ZINC000261554441 135194631 /nfs/dbraw/zinc/19/46/31/135194631.db2.gz UFARDTXNDRPKBY-MRVPVSSYSA-N 2 2 213.281 -0.586 20 0 BBADLP C[C@H](C[NH3+])[N@H+](C)CCN1C(=O)CCC1=O ZINC000261554441 135194630 /nfs/dbraw/zinc/19/46/30/135194630.db2.gz UFARDTXNDRPKBY-MRVPVSSYSA-N 2 2 213.281 -0.586 20 0 BBADLP C[C@@H](C[NH3+])[N@@H+](C)CCN1C(=O)CCC1=O ZINC000261554442 135194574 /nfs/dbraw/zinc/19/45/74/135194574.db2.gz UFARDTXNDRPKBY-QMMMGPOBSA-N 2 2 213.281 -0.586 20 0 BBADLP C[C@@H](C[NH3+])[N@H+](C)CCN1C(=O)CCC1=O ZINC000261554442 135194572 /nfs/dbraw/zinc/19/45/72/135194572.db2.gz UFARDTXNDRPKBY-QMMMGPOBSA-N 2 2 213.281 -0.586 20 0 BBADLP O=C1CCCN1CC[N@H+]1CCC[NH2+]CC1 ZINC000261555183 135195426 /nfs/dbraw/zinc/19/54/26/135195426.db2.gz UVVHGFYSFARPAT-UHFFFAOYSA-N 2 2 211.309 -0.096 20 0 BBADLP O=C1CCCN1CC[N@@H+]1CCC[NH2+]CC1 ZINC000261555183 135195424 /nfs/dbraw/zinc/19/54/24/135195424.db2.gz UVVHGFYSFARPAT-UHFFFAOYSA-N 2 2 211.309 -0.096 20 0 BBADLP Cn1ccnc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261555364 135195033 /nfs/dbraw/zinc/19/50/33/135195033.db2.gz BKZBLGMBLXXRPN-GFCCVEGCSA-N 2 2 249.362 -0.100 20 0 BBADLP Cn1ccnc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261555364 135195031 /nfs/dbraw/zinc/19/50/31/135195031.db2.gz BKZBLGMBLXXRPN-GFCCVEGCSA-N 2 2 249.362 -0.100 20 0 BBADLP Cn1ccnc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261555365 135195043 /nfs/dbraw/zinc/19/50/43/135195043.db2.gz BKZBLGMBLXXRPN-LBPRGKRZSA-N 2 2 249.362 -0.100 20 0 BBADLP Cn1ccnc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261555365 135195042 /nfs/dbraw/zinc/19/50/42/135195042.db2.gz BKZBLGMBLXXRPN-LBPRGKRZSA-N 2 2 249.362 -0.100 20 0 BBADLP C[N@@H+](CCNS(C)(=O)=O)C1CC[NH2+]CC1 ZINC000261555410 135195413 /nfs/dbraw/zinc/19/54/13/135195413.db2.gz UXDUAHGCPBXPBU-UHFFFAOYSA-N 2 2 235.353 -0.781 20 0 BBADLP C[N@H+](CCNS(C)(=O)=O)C1CC[NH2+]CC1 ZINC000261555410 135195411 /nfs/dbraw/zinc/19/54/11/135195411.db2.gz UXDUAHGCPBXPBU-UHFFFAOYSA-N 2 2 235.353 -0.781 20 0 BBADLP C[NH2+]CC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000261556892 173330774 /nfs/dbraw/zinc/33/07/74/173330774.db2.gz WNKGQNYBWYJNJX-UHFFFAOYSA-N 2 2 222.292 -0.017 20 0 BBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261558815 135199343 /nfs/dbraw/zinc/19/93/43/135199343.db2.gz SRNLHCUNZWBCGH-HLTSFMKQSA-N 2 2 240.307 -0.889 20 0 BBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261558815 135199342 /nfs/dbraw/zinc/19/93/42/135199342.db2.gz SRNLHCUNZWBCGH-HLTSFMKQSA-N 2 2 240.307 -0.889 20 0 BBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261558816 135199440 /nfs/dbraw/zinc/19/94/40/135199440.db2.gz SRNLHCUNZWBCGH-HRDYMLBCSA-N 2 2 240.307 -0.889 20 0 BBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261558816 135199439 /nfs/dbraw/zinc/19/94/39/135199439.db2.gz SRNLHCUNZWBCGH-HRDYMLBCSA-N 2 2 240.307 -0.889 20 0 BBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261558817 135199400 /nfs/dbraw/zinc/19/94/00/135199400.db2.gz SRNLHCUNZWBCGH-IWSPIJDZSA-N 2 2 240.307 -0.889 20 0 BBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261558817 135199399 /nfs/dbraw/zinc/19/93/99/135199399.db2.gz SRNLHCUNZWBCGH-IWSPIJDZSA-N 2 2 240.307 -0.889 20 0 BBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261558818 135199795 /nfs/dbraw/zinc/19/97/95/135199795.db2.gz SRNLHCUNZWBCGH-VGMNWLOBSA-N 2 2 240.307 -0.889 20 0 BBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261558818 135199793 /nfs/dbraw/zinc/19/97/93/135199793.db2.gz SRNLHCUNZWBCGH-VGMNWLOBSA-N 2 2 240.307 -0.889 20 0 BBADLP CCS(=O)(=O)NCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000261560116 135200978 /nfs/dbraw/zinc/20/09/78/135200978.db2.gz ZQMYXPXQJITLFD-SECBINFHSA-N 2 2 235.353 -0.794 20 0 BBADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000261560116 135200976 /nfs/dbraw/zinc/20/09/76/135200976.db2.gz ZQMYXPXQJITLFD-SECBINFHSA-N 2 2 235.353 -0.794 20 0 BBADLP CCS(=O)(=O)NCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000261560117 135200780 /nfs/dbraw/zinc/20/07/80/135200780.db2.gz ZQMYXPXQJITLFD-VIFPVBQESA-N 2 2 235.353 -0.794 20 0 BBADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000261560117 135200778 /nfs/dbraw/zinc/20/07/78/135200778.db2.gz ZQMYXPXQJITLFD-VIFPVBQESA-N 2 2 235.353 -0.794 20 0 BBADLP CCS(=O)(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000261560421 135201193 /nfs/dbraw/zinc/20/11/93/135201193.db2.gz ZXQFVNKFRFHQOV-UHFFFAOYSA-N 2 2 235.353 -0.651 20 0 BBADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NC1CC1 ZINC000261560574 135201490 /nfs/dbraw/zinc/20/14/90/135201490.db2.gz ABNRMJJNNDMCAP-GXSJLCMTSA-N 2 2 223.320 -0.051 20 0 BBADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NC1CC1 ZINC000261560574 135201488 /nfs/dbraw/zinc/20/14/88/135201488.db2.gz ABNRMJJNNDMCAP-GXSJLCMTSA-N 2 2 223.320 -0.051 20 0 BBADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NC1CC1 ZINC000261560575 135201029 /nfs/dbraw/zinc/20/10/29/135201029.db2.gz ABNRMJJNNDMCAP-KOLCDFICSA-N 2 2 223.320 -0.051 20 0 BBADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NC1CC1 ZINC000261560575 135201027 /nfs/dbraw/zinc/20/10/27/135201027.db2.gz ABNRMJJNNDMCAP-KOLCDFICSA-N 2 2 223.320 -0.051 20 0 BBADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NC1CC1 ZINC000261560576 135201299 /nfs/dbraw/zinc/20/12/99/135201299.db2.gz ABNRMJJNNDMCAP-MWLCHTKSSA-N 2 2 223.320 -0.051 20 0 BBADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NC1CC1 ZINC000261560576 135201297 /nfs/dbraw/zinc/20/12/97/135201297.db2.gz ABNRMJJNNDMCAP-MWLCHTKSSA-N 2 2 223.320 -0.051 20 0 BBADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NC1CC1 ZINC000261560577 135201248 /nfs/dbraw/zinc/20/12/48/135201248.db2.gz ABNRMJJNNDMCAP-ONGXEEELSA-N 2 2 223.320 -0.051 20 0 BBADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NC1CC1 ZINC000261560577 135201246 /nfs/dbraw/zinc/20/12/46/135201246.db2.gz ABNRMJJNNDMCAP-ONGXEEELSA-N 2 2 223.320 -0.051 20 0 BBADLP Cn1ncnc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261561190 135201816 /nfs/dbraw/zinc/20/18/16/135201816.db2.gz ALKLKIWWPOKOQH-NXEZZACHSA-N 2 2 221.308 -0.144 20 0 BBADLP Cn1ncnc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261561190 135201814 /nfs/dbraw/zinc/20/18/14/135201814.db2.gz ALKLKIWWPOKOQH-NXEZZACHSA-N 2 2 221.308 -0.144 20 0 BBADLP Cn1ncnc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261561191 135201707 /nfs/dbraw/zinc/20/17/07/135201707.db2.gz ALKLKIWWPOKOQH-UWVGGRQHSA-N 2 2 221.308 -0.144 20 0 BBADLP Cn1ncnc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261561191 135201705 /nfs/dbraw/zinc/20/17/05/135201705.db2.gz ALKLKIWWPOKOQH-UWVGGRQHSA-N 2 2 221.308 -0.144 20 0 BBADLP Cn1ncnc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261561192 135202275 /nfs/dbraw/zinc/20/22/75/135202275.db2.gz ALKLKIWWPOKOQH-VHSXEESVSA-N 2 2 221.308 -0.144 20 0 BBADLP Cn1ncnc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261561192 135202273 /nfs/dbraw/zinc/20/22/73/135202273.db2.gz ALKLKIWWPOKOQH-VHSXEESVSA-N 2 2 221.308 -0.144 20 0 BBADLP Cn1ncnc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261561193 135201608 /nfs/dbraw/zinc/20/16/08/135201608.db2.gz ALKLKIWWPOKOQH-ZJUUUORDSA-N 2 2 221.308 -0.144 20 0 BBADLP Cn1ncnc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261561193 135201607 /nfs/dbraw/zinc/20/16/07/135201607.db2.gz ALKLKIWWPOKOQH-ZJUUUORDSA-N 2 2 221.308 -0.144 20 0 BBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261561806 135202719 /nfs/dbraw/zinc/20/27/19/135202719.db2.gz AVXXCHUDIXCTDB-JTQLQIEISA-N 2 2 228.296 -0.887 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261561806 135202717 /nfs/dbraw/zinc/20/27/17/135202717.db2.gz AVXXCHUDIXCTDB-JTQLQIEISA-N 2 2 228.296 -0.887 20 0 BBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261561807 135202993 /nfs/dbraw/zinc/20/29/93/135202993.db2.gz AVXXCHUDIXCTDB-SNVBAGLBSA-N 2 2 228.296 -0.887 20 0 BBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261561807 135202992 /nfs/dbraw/zinc/20/29/92/135202992.db2.gz AVXXCHUDIXCTDB-SNVBAGLBSA-N 2 2 228.296 -0.887 20 0 BBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261562354 536326247 /nfs/dbraw/zinc/32/62/47/536326247.db2.gz WFPPTVRDGCMLBO-GZMMTYOYSA-N 2 2 242.323 -0.499 20 0 BBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261562354 536326245 /nfs/dbraw/zinc/32/62/45/536326245.db2.gz WFPPTVRDGCMLBO-GZMMTYOYSA-N 2 2 242.323 -0.499 20 0 BBADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261562357 135203618 /nfs/dbraw/zinc/20/36/18/135203618.db2.gz WFPPTVRDGCMLBO-KCJUWKMLSA-N 2 2 242.323 -0.499 20 0 BBADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261562357 135203617 /nfs/dbraw/zinc/20/36/17/135203617.db2.gz WFPPTVRDGCMLBO-KCJUWKMLSA-N 2 2 242.323 -0.499 20 0 BBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261562359 536326756 /nfs/dbraw/zinc/32/67/56/536326756.db2.gz WFPPTVRDGCMLBO-KWQFWETISA-N 2 2 242.323 -0.499 20 0 BBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261562359 536326753 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C(C[NH+]1CCOCC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261562614 533365036 /nfs/dbraw/zinc/36/50/36/533365036.db2.gz WKOQRSUPBGVBDT-OLZOCXBDSA-N 2 2 239.363 -0.140 20 0 BBADLP C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCOCC1 ZINC000261562614 533365031 /nfs/dbraw/zinc/36/50/31/533365031.db2.gz WKOQRSUPBGVBDT-OLZOCXBDSA-N 2 2 239.363 -0.140 20 0 BBADLP C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCOCC1 ZINC000261562614 533365029 /nfs/dbraw/zinc/36/50/29/533365029.db2.gz WKOQRSUPBGVBDT-OLZOCXBDSA-N 2 2 239.363 -0.140 20 0 BBADLP C(C[NH+]1CCOCC1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261562618 135204765 /nfs/dbraw/zinc/20/47/65/135204765.db2.gz WKOQRSUPBGVBDT-QWHCGFSZSA-N 2 2 239.363 -0.140 20 0 BBADLP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCOCC1 ZINC000261562618 135204764 /nfs/dbraw/zinc/20/47/64/135204764.db2.gz WKOQRSUPBGVBDT-QWHCGFSZSA-N 2 2 239.363 -0.140 20 0 BBADLP C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCOCC1 ZINC000261562618 135204763 /nfs/dbraw/zinc/20/47/63/135204763.db2.gz 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Cn1cc[nH+]c1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261575892 135217721 /nfs/dbraw/zinc/21/77/21/135217721.db2.gz NHORJCUUZNTCPF-LBPRGKRZSA-N 2 2 249.362 -0.100 20 0 BBADLP Cn1nncc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261580079 135220290 /nfs/dbraw/zinc/22/02/90/135220290.db2.gz MQMTWBABQMWUCN-JTQLQIEISA-N 2 2 209.297 -0.014 20 0 BBADLP Cn1nncc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261580079 135220289 /nfs/dbraw/zinc/22/02/89/135220289.db2.gz MQMTWBABQMWUCN-JTQLQIEISA-N 2 2 209.297 -0.014 20 0 BBADLP Cn1nncc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261580081 135220693 /nfs/dbraw/zinc/22/06/93/135220693.db2.gz MQMTWBABQMWUCN-SNVBAGLBSA-N 2 2 209.297 -0.014 20 0 BBADLP Cn1nncc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261580081 135220691 /nfs/dbraw/zinc/22/06/91/135220691.db2.gz MQMTWBABQMWUCN-SNVBAGLBSA-N 2 2 209.297 -0.014 20 0 BBADLP Cc1[nH+]ccn1CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000261582041 180260349 /nfs/dbraw/zinc/26/03/49/180260349.db2.gz NZYCUWNXQUTDOC-SECBINFHSA-N 2 2 240.332 -0.030 20 0 BBADLP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000261582042 180257428 /nfs/dbraw/zinc/25/74/28/180257428.db2.gz NZYCUWNXQUTDOC-VIFPVBQESA-N 2 2 240.332 -0.030 20 0 BBADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nn1 ZINC000261583354 135224290 /nfs/dbraw/zinc/22/42/90/135224290.db2.gz OYFSAFRGNSMKHB-NXEZZACHSA-N 2 2 221.308 -0.144 20 0 BBADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nn1 ZINC000261583354 135224289 /nfs/dbraw/zinc/22/42/89/135224289.db2.gz OYFSAFRGNSMKHB-NXEZZACHSA-N 2 2 221.308 -0.144 20 0 BBADLP Cn1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)nn1 ZINC000261583355 135223965 /nfs/dbraw/zinc/22/39/65/135223965.db2.gz OYFSAFRGNSMKHB-UWVGGRQHSA-N 2 2 221.308 -0.144 20 0 BBADLP Cn1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)nn1 ZINC000261583355 135223964 /nfs/dbraw/zinc/22/39/64/135223964.db2.gz OYFSAFRGNSMKHB-UWVGGRQHSA-N 2 2 221.308 -0.144 20 0 BBADLP Cn1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)nn1 ZINC000261583356 135223969 /nfs/dbraw/zinc/22/39/69/135223969.db2.gz OYFSAFRGNSMKHB-VHSXEESVSA-N 2 2 221.308 -0.144 20 0 BBADLP Cn1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)nn1 ZINC000261583356 135223968 /nfs/dbraw/zinc/22/39/68/135223968.db2.gz OYFSAFRGNSMKHB-VHSXEESVSA-N 2 2 221.308 -0.144 20 0 BBADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)nn1 ZINC000261583357 135224112 /nfs/dbraw/zinc/22/41/12/135224112.db2.gz OYFSAFRGNSMKHB-ZJUUUORDSA-N 2 2 221.308 -0.144 20 0 BBADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)nn1 ZINC000261583357 135224111 /nfs/dbraw/zinc/22/41/11/135224111.db2.gz OYFSAFRGNSMKHB-ZJUUUORDSA-N 2 2 221.308 -0.144 20 0 BBADLP C[C@](C[NH3+])([NH2+]CC(=O)NC1CC1)C1CC1 ZINC000261583388 135224086 /nfs/dbraw/zinc/22/40/86/135224086.db2.gz OZKZCBLNPINLJV-LLVKDONJSA-N 2 2 211.309 -0.018 20 0 BBADLP C[C@@](C[NH3+])([NH2+]CC(=O)NC1CC1)C1CC1 ZINC000261583389 135224156 /nfs/dbraw/zinc/22/41/56/135224156.db2.gz OZKZCBLNPINLJV-NSHDSACASA-N 2 2 211.309 -0.018 20 0 BBADLP [NH3+]C1(C[NH2+]CC(=O)NCC2CC2)CCC1 ZINC000261584328 135224950 /nfs/dbraw/zinc/22/49/50/135224950.db2.gz PPWRBCNVMRPRRE-UHFFFAOYSA-N 2 2 211.309 -0.016 20 0 BBADLP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000261587325 135228195 /nfs/dbraw/zinc/22/81/95/135228195.db2.gz RSULULASAQLGTM-BDAKNGLRSA-N 2 2 235.353 -0.795 20 0 BBADLP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000261587325 135228193 /nfs/dbraw/zinc/22/81/93/135228193.db2.gz RSULULASAQLGTM-BDAKNGLRSA-N 2 2 235.353 -0.795 20 0 BBADLP C[C@H]1C[N@@H+](CCNS(C)(=O)=O)CC[C@H]1[NH3+] ZINC000261587326 135228249 /nfs/dbraw/zinc/22/82/49/135228249.db2.gz RSULULASAQLGTM-DTWKUNHWSA-N 2 2 235.353 -0.795 20 0 BBADLP C[C@H]1C[N@H+](CCNS(C)(=O)=O)CC[C@H]1[NH3+] ZINC000261587326 135228247 /nfs/dbraw/zinc/22/82/47/135228247.db2.gz RSULULASAQLGTM-DTWKUNHWSA-N 2 2 235.353 -0.795 20 0 BBADLP C[C@H]1C[N@@H+](CCNS(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000261587327 135228099 /nfs/dbraw/zinc/22/80/99/135228099.db2.gz RSULULASAQLGTM-IUCAKERBSA-N 2 2 235.353 -0.795 20 0 BBADLP C[C@H]1C[N@H+](CCNS(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000261587327 135228098 /nfs/dbraw/zinc/22/80/98/135228098.db2.gz RSULULASAQLGTM-IUCAKERBSA-N 2 2 235.353 -0.795 20 0 BBADLP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)CC[C@H]1[NH3+] ZINC000261587328 135228409 /nfs/dbraw/zinc/22/84/09/135228409.db2.gz RSULULASAQLGTM-RKDXNWHRSA-N 2 2 235.353 -0.795 20 0 BBADLP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)CC[C@H]1[NH3+] ZINC000261587328 135228408 /nfs/dbraw/zinc/22/84/08/135228408.db2.gz RSULULASAQLGTM-RKDXNWHRSA-N 2 2 235.353 -0.795 20 0 BBADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)NC1CC1 ZINC000261591756 135232550 /nfs/dbraw/zinc/23/25/50/135232550.db2.gz VOOKBWOBZVAFLQ-GFCCVEGCSA-N 2 2 223.320 -0.050 20 0 BBADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)NC1CC1 ZINC000261591756 135232548 /nfs/dbraw/zinc/23/25/48/135232548.db2.gz VOOKBWOBZVAFLQ-GFCCVEGCSA-N 2 2 223.320 -0.050 20 0 BBADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)NC1CC1 ZINC000261591757 135233086 /nfs/dbraw/zinc/23/30/86/135233086.db2.gz VOOKBWOBZVAFLQ-LBPRGKRZSA-N 2 2 223.320 -0.050 20 0 BBADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)NC1CC1 ZINC000261591757 135233085 /nfs/dbraw/zinc/23/30/85/135233085.db2.gz VOOKBWOBZVAFLQ-LBPRGKRZSA-N 2 2 223.320 -0.050 20 0 BBADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261595483 135236107 /nfs/dbraw/zinc/23/61/07/135236107.db2.gz YGJGJTHYSCNRMB-GXSJLCMTSA-N 2 2 211.309 -0.064 20 0 BBADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261595483 135236106 /nfs/dbraw/zinc/23/61/06/135236106.db2.gz YGJGJTHYSCNRMB-GXSJLCMTSA-N 2 2 211.309 -0.064 20 0 BBADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000261595484 135235890 /nfs/dbraw/zinc/23/58/90/135235890.db2.gz YGJGJTHYSCNRMB-KOLCDFICSA-N 2 2 211.309 -0.064 20 0 BBADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000261595484 135235889 /nfs/dbraw/zinc/23/58/89/135235889.db2.gz YGJGJTHYSCNRMB-KOLCDFICSA-N 2 2 211.309 -0.064 20 0 BBADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261595485 135235811 /nfs/dbraw/zinc/23/58/11/135235811.db2.gz YGJGJTHYSCNRMB-MWLCHTKSSA-N 2 2 211.309 -0.064 20 0 BBADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261595485 135235810 /nfs/dbraw/zinc/23/58/10/135235810.db2.gz YGJGJTHYSCNRMB-MWLCHTKSSA-N 2 2 211.309 -0.064 20 0 BBADLP C[C@H]([NH3+])C[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000261595686 135235899 /nfs/dbraw/zinc/23/58/99/135235899.db2.gz YGJGJTHYSCNRMB-ONGXEEELSA-N 2 2 211.309 -0.064 20 0 BBADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000261595686 135235898 /nfs/dbraw/zinc/23/58/98/135235898.db2.gz YGJGJTHYSCNRMB-ONGXEEELSA-N 2 2 211.309 -0.064 20 0 BBADLP C[C@]1(C[NH3+])CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000261595777 135235931 /nfs/dbraw/zinc/23/59/31/135235931.db2.gz YLVHOPJGJPFFSI-SECBINFHSA-N 2 2 235.353 -0.794 20 0 BBADLP C[C@]1(C[NH3+])CC[N@H+](CCNS(C)(=O)=O)C1 ZINC000261595777 135235930 /nfs/dbraw/zinc/23/59/30/135235930.db2.gz YLVHOPJGJPFFSI-SECBINFHSA-N 2 2 235.353 -0.794 20 0 BBADLP C[C@@]1(C[NH3+])CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000261595778 135235951 /nfs/dbraw/zinc/23/59/51/135235951.db2.gz YLVHOPJGJPFFSI-VIFPVBQESA-N 2 2 235.353 -0.794 20 0 BBADLP C[C@@]1(C[NH3+])CC[N@H+](CCNS(C)(=O)=O)C1 ZINC000261595778 135235949 /nfs/dbraw/zinc/23/59/49/135235949.db2.gz YLVHOPJGJPFFSI-VIFPVBQESA-N 2 2 235.353 -0.794 20 0 BBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000261680395 135245466 /nfs/dbraw/zinc/24/54/66/135245466.db2.gz JWXCERULUDGLEF-GHMZBOCLSA-N 2 2 241.335 -0.425 20 0 BBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000261680395 135245465 /nfs/dbraw/zinc/24/54/65/135245465.db2.gz JWXCERULUDGLEF-GHMZBOCLSA-N 2 2 241.335 -0.425 20 0 BBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000261680396 135245479 /nfs/dbraw/zinc/24/54/79/135245479.db2.gz JWXCERULUDGLEF-MNOVXSKESA-N 2 2 241.335 -0.425 20 0 BBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000261680396 135245477 /nfs/dbraw/zinc/24/54/77/135245477.db2.gz JWXCERULUDGLEF-MNOVXSKESA-N 2 2 241.335 -0.425 20 0 BBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000261680397 135245327 /nfs/dbraw/zinc/24/53/27/135245327.db2.gz JWXCERULUDGLEF-QWRGUYRKSA-N 2 2 241.335 -0.425 20 0 BBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000261680397 135245326 /nfs/dbraw/zinc/24/53/26/135245326.db2.gz JWXCERULUDGLEF-QWRGUYRKSA-N 2 2 241.335 -0.425 20 0 BBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000261680398 135245042 /nfs/dbraw/zinc/24/50/42/135245042.db2.gz JWXCERULUDGLEF-WDEREUQCSA-N 2 2 241.335 -0.425 20 0 BBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000261680398 135245040 /nfs/dbraw/zinc/24/50/40/135245040.db2.gz JWXCERULUDGLEF-WDEREUQCSA-N 2 2 241.335 -0.425 20 0 BBADLP NC(=[NH2+])NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000261684097 135245714 /nfs/dbraw/zinc/24/57/14/135245714.db2.gz ADTAYBUFWIPJHC-JTQLQIEISA-N 2 2 244.364 -0.323 20 0 BBADLP NC(=[NH2+])NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000261684098 135246235 /nfs/dbraw/zinc/24/62/35/135246235.db2.gz ADTAYBUFWIPJHC-SNVBAGLBSA-N 2 2 244.364 -0.323 20 0 BBADLP C[C@@]1(C[N@H+]2CCO[C@H](C(N)=O)C2)CC[NH2+]C1 ZINC000261716771 135247876 /nfs/dbraw/zinc/24/78/76/135247876.db2.gz FITCOQIHFXQMLL-GXSJLCMTSA-N 2 2 227.308 -0.828 20 0 BBADLP C[C@@]1(C[N@@H+]2CCO[C@H](C(N)=O)C2)CC[NH2+]C1 ZINC000261716771 135247875 /nfs/dbraw/zinc/24/78/75/135247875.db2.gz FITCOQIHFXQMLL-GXSJLCMTSA-N 2 2 227.308 -0.828 20 0 BBADLP C[C@]1(C[N@H+]2CCO[C@@H](C(N)=O)C2)CC[NH2+]C1 ZINC000261716772 135247460 /nfs/dbraw/zinc/24/74/60/135247460.db2.gz FITCOQIHFXQMLL-KOLCDFICSA-N 2 2 227.308 -0.828 20 0 BBADLP C[C@]1(C[N@@H+]2CCO[C@@H](C(N)=O)C2)CC[NH2+]C1 ZINC000261716772 135247459 /nfs/dbraw/zinc/24/74/59/135247459.db2.gz FITCOQIHFXQMLL-KOLCDFICSA-N 2 2 227.308 -0.828 20 0 BBADLP C[C@@]1(C[N@H+]2CCO[C@@H](C(N)=O)C2)CC[NH2+]C1 ZINC000261716773 135247670 /nfs/dbraw/zinc/24/76/70/135247670.db2.gz FITCOQIHFXQMLL-MWLCHTKSSA-N 2 2 227.308 -0.828 20 0 BBADLP C[C@@]1(C[N@@H+]2CCO[C@@H](C(N)=O)C2)CC[NH2+]C1 ZINC000261716773 135247668 /nfs/dbraw/zinc/24/76/68/135247668.db2.gz FITCOQIHFXQMLL-MWLCHTKSSA-N 2 2 227.308 -0.828 20 0 BBADLP C[C@]1(C[N@H+]2CCO[C@H](C(N)=O)C2)CC[NH2+]C1 ZINC000261716774 135247720 /nfs/dbraw/zinc/24/77/20/135247720.db2.gz FITCOQIHFXQMLL-ONGXEEELSA-N 2 2 227.308 -0.828 20 0 BBADLP C[C@]1(C[N@@H+]2CCO[C@H](C(N)=O)C2)CC[NH2+]C1 ZINC000261716774 135247719 /nfs/dbraw/zinc/24/77/19/135247719.db2.gz FITCOQIHFXQMLL-ONGXEEELSA-N 2 2 227.308 -0.828 20 0 BBADLP CNC(=O)[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000261727735 135248053 /nfs/dbraw/zinc/24/80/53/135248053.db2.gz GXLXSMYJCMJYCU-CMPLNLGQSA-N 2 2 241.335 -0.567 20 0 BBADLP CNC(=O)[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000261727735 135248051 /nfs/dbraw/zinc/24/80/51/135248051.db2.gz GXLXSMYJCMJYCU-CMPLNLGQSA-N 2 2 241.335 -0.567 20 0 BBADLP CNC(=O)[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000261727738 135248233 /nfs/dbraw/zinc/24/82/33/135248233.db2.gz GXLXSMYJCMJYCU-JQWIXIFHSA-N 2 2 241.335 -0.567 20 0 BBADLP CNC(=O)[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000261727738 135248232 /nfs/dbraw/zinc/24/82/32/135248232.db2.gz GXLXSMYJCMJYCU-JQWIXIFHSA-N 2 2 241.335 -0.567 20 0 BBADLP CNC(=O)[C@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000261727742 135248198 /nfs/dbraw/zinc/24/81/98/135248198.db2.gz GXLXSMYJCMJYCU-PWSUYJOCSA-N 2 2 241.335 -0.567 20 0 BBADLP CNC(=O)[C@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000261727742 135248197 /nfs/dbraw/zinc/24/81/97/135248197.db2.gz GXLXSMYJCMJYCU-PWSUYJOCSA-N 2 2 241.335 -0.567 20 0 BBADLP CNC(=O)[C@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000261727744 135248426 /nfs/dbraw/zinc/24/84/26/135248426.db2.gz GXLXSMYJCMJYCU-ZYHUDNBSSA-N 2 2 241.335 -0.567 20 0 BBADLP CNC(=O)[C@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000261727744 135248424 /nfs/dbraw/zinc/24/84/24/135248424.db2.gz GXLXSMYJCMJYCU-ZYHUDNBSSA-N 2 2 241.335 -0.567 20 0 BBADLP C[C@H]([NH3+])CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000261736128 135111013 /nfs/dbraw/zinc/11/10/13/135111013.db2.gz GFPXFHBZKJCGSX-JTQLQIEISA-N 2 2 229.324 -0.486 20 0 BBADLP C[C@@H]([NH3+])CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000261736130 135249390 /nfs/dbraw/zinc/24/93/90/135249390.db2.gz GFPXFHBZKJCGSX-SNVBAGLBSA-N 2 2 229.324 -0.486 20 0 BBADLP O=c1[nH]nc2n1CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000261758878 135250766 /nfs/dbraw/zinc/25/07/66/135250766.db2.gz CTUQMAKYNMUXTD-UHFFFAOYSA-N 2 2 237.307 -0.613 20 0 BBADLP O=c1[nH]nc2n1CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000261758878 135250765 /nfs/dbraw/zinc/25/07/65/135250765.db2.gz CTUQMAKYNMUXTD-UHFFFAOYSA-N 2 2 237.307 -0.613 20 0 BBADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000261760729 535198250 /nfs/dbraw/zinc/19/82/50/535198250.db2.gz CXQJMQLKOKOVIB-SECBINFHSA-N 2 2 249.380 -0.276 20 0 BBADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000261760729 535198243 /nfs/dbraw/zinc/19/82/43/535198243.db2.gz CXQJMQLKOKOVIB-SECBINFHSA-N 2 2 249.380 -0.276 20 0 BBADLP CC(C)([NH3+])C[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000261760731 535199001 /nfs/dbraw/zinc/19/90/01/535199001.db2.gz CXQJMQLKOKOVIB-VIFPVBQESA-N 2 2 249.380 -0.276 20 0 BBADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000261760731 535198996 /nfs/dbraw/zinc/19/89/96/535198996.db2.gz CXQJMQLKOKOVIB-VIFPVBQESA-N 2 2 249.380 -0.276 20 0 BBADLP C[C@@H]([NH3+])CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000261765657 135250311 /nfs/dbraw/zinc/25/03/11/135250311.db2.gz IJFVYUJBLMFFHH-NXEZZACHSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@@H]([NH3+])CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000261765657 135250310 /nfs/dbraw/zinc/25/03/10/135250310.db2.gz IJFVYUJBLMFFHH-NXEZZACHSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@H]([NH3+])CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000261765659 135250478 /nfs/dbraw/zinc/25/04/78/135250478.db2.gz IJFVYUJBLMFFHH-UWVGGRQHSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@H]([NH3+])CC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000261765659 135250476 /nfs/dbraw/zinc/25/04/76/135250476.db2.gz IJFVYUJBLMFFHH-UWVGGRQHSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@H]([NH3+])CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000261765664 135250244 /nfs/dbraw/zinc/25/02/44/135250244.db2.gz IJFVYUJBLMFFHH-VHSXEESVSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@H]([NH3+])CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000261765664 135250243 /nfs/dbraw/zinc/25/02/43/135250243.db2.gz IJFVYUJBLMFFHH-VHSXEESVSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@@H]([NH3+])CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000261765668 135250519 /nfs/dbraw/zinc/25/05/19/135250519.db2.gz IJFVYUJBLMFFHH-ZJUUUORDSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@@H]([NH3+])CC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000261765668 135250518 /nfs/dbraw/zinc/25/05/18/135250518.db2.gz IJFVYUJBLMFFHH-ZJUUUORDSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@H]([NH3+])CC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000261807572 135254806 /nfs/dbraw/zinc/25/48/06/135254806.db2.gz NBIDOLFBCBLODF-JTQLQIEISA-N 2 2 243.351 -0.049 20 0 BBADLP C[C@H]([NH3+])CC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000261807572 135254804 /nfs/dbraw/zinc/25/48/04/135254804.db2.gz NBIDOLFBCBLODF-JTQLQIEISA-N 2 2 243.351 -0.049 20 0 BBADLP C[C@@H]([NH3+])CC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000261807575 135254205 /nfs/dbraw/zinc/25/42/05/135254205.db2.gz NBIDOLFBCBLODF-SNVBAGLBSA-N 2 2 243.351 -0.049 20 0 BBADLP C[C@@H]([NH3+])CC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000261807575 135254204 /nfs/dbraw/zinc/25/42/04/135254204.db2.gz NBIDOLFBCBLODF-SNVBAGLBSA-N 2 2 243.351 -0.049 20 0 BBADLP CCC[NH2+]CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000261825674 135256449 /nfs/dbraw/zinc/25/64/49/135256449.db2.gz KPCUNQLZYVCQBM-NSHDSACASA-N 2 2 243.351 -0.177 20 0 BBADLP C[C@@]1(C[N@H+]2CCN3C(=O)NC[C@H]3C2)CC[NH2+]C1 ZINC000261872663 135259221 /nfs/dbraw/zinc/25/92/21/135259221.db2.gz PFJZLZGTEKDFKJ-CMPLNLGQSA-N 2 2 238.335 -0.305 20 0 BBADLP C[C@@]1(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)CC[NH2+]C1 ZINC000261872663 135259220 /nfs/dbraw/zinc/25/92/20/135259220.db2.gz PFJZLZGTEKDFKJ-CMPLNLGQSA-N 2 2 238.335 -0.305 20 0 BBADLP C[C@]1(C[N@H+]2CCN3C(=O)NC[C@H]3C2)CC[NH2+]C1 ZINC000261872665 135258731 /nfs/dbraw/zinc/25/87/31/135258731.db2.gz PFJZLZGTEKDFKJ-JQWIXIFHSA-N 2 2 238.335 -0.305 20 0 BBADLP C[C@]1(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)CC[NH2+]C1 ZINC000261872665 135258729 /nfs/dbraw/zinc/25/87/29/135258729.db2.gz PFJZLZGTEKDFKJ-JQWIXIFHSA-N 2 2 238.335 -0.305 20 0 BBADLP C[C@]1(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)CC[NH2+]C1 ZINC000261872666 135259008 /nfs/dbraw/zinc/25/90/08/135259008.db2.gz PFJZLZGTEKDFKJ-PWSUYJOCSA-N 2 2 238.335 -0.305 20 0 BBADLP C[C@]1(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)CC[NH2+]C1 ZINC000261872666 135259006 /nfs/dbraw/zinc/25/90/06/135259006.db2.gz PFJZLZGTEKDFKJ-PWSUYJOCSA-N 2 2 238.335 -0.305 20 0 BBADLP C[C@@]1(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)CC[NH2+]C1 ZINC000261872668 135259214 /nfs/dbraw/zinc/25/92/14/135259214.db2.gz PFJZLZGTEKDFKJ-ZYHUDNBSSA-N 2 2 238.335 -0.305 20 0 BBADLP C[C@@]1(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)CC[NH2+]C1 ZINC000261872668 135259213 /nfs/dbraw/zinc/25/92/13/135259213.db2.gz PFJZLZGTEKDFKJ-ZYHUDNBSSA-N 2 2 238.335 -0.305 20 0 BBADLP C[C@@]1(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)CC[NH2+]C1 ZINC000261893543 135260621 /nfs/dbraw/zinc/26/06/21/135260621.db2.gz UJEGDWJLDWZMBN-NXEZZACHSA-N 2 2 247.364 -0.651 20 0 BBADLP C[C@@]1(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)CC[NH2+]C1 ZINC000261893543 135260620 /nfs/dbraw/zinc/26/06/20/135260620.db2.gz UJEGDWJLDWZMBN-NXEZZACHSA-N 2 2 247.364 -0.651 20 0 BBADLP C[C@]1(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)CC[NH2+]C1 ZINC000261893544 135260810 /nfs/dbraw/zinc/26/08/10/135260810.db2.gz UJEGDWJLDWZMBN-UWVGGRQHSA-N 2 2 247.364 -0.651 20 0 BBADLP C[C@]1(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)CC[NH2+]C1 ZINC000261893544 135260809 /nfs/dbraw/zinc/26/08/09/135260809.db2.gz UJEGDWJLDWZMBN-UWVGGRQHSA-N 2 2 247.364 -0.651 20 0 BBADLP C[C@@]1(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)CC[NH2+]C1 ZINC000261893546 135261208 /nfs/dbraw/zinc/26/12/08/135261208.db2.gz UJEGDWJLDWZMBN-VHSXEESVSA-N 2 2 247.364 -0.651 20 0 BBADLP C[C@@]1(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)CC[NH2+]C1 ZINC000261893546 135261206 /nfs/dbraw/zinc/26/12/06/135261206.db2.gz UJEGDWJLDWZMBN-VHSXEESVSA-N 2 2 247.364 -0.651 20 0 BBADLP C[C@]1(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)CC[NH2+]C1 ZINC000261893547 135260841 /nfs/dbraw/zinc/26/08/41/135260841.db2.gz UJEGDWJLDWZMBN-ZJUUUORDSA-N 2 2 247.364 -0.651 20 0 BBADLP C[C@]1(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)CC[NH2+]C1 ZINC000261893547 135260840 /nfs/dbraw/zinc/26/08/40/135260840.db2.gz UJEGDWJLDWZMBN-ZJUUUORDSA-N 2 2 247.364 -0.651 20 0 BBADLP CCS(=O)(=O)NCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261895380 135261186 /nfs/dbraw/zinc/26/11/86/135261186.db2.gz VZPQTVOKCMHMFF-JTQLQIEISA-N 2 2 249.380 -0.404 20 0 BBADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261895380 135261185 /nfs/dbraw/zinc/26/11/85/135261185.db2.gz VZPQTVOKCMHMFF-JTQLQIEISA-N 2 2 249.380 -0.404 20 0 BBADLP CCS(=O)(=O)NCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261895385 135261143 /nfs/dbraw/zinc/26/11/43/135261143.db2.gz VZPQTVOKCMHMFF-SNVBAGLBSA-N 2 2 249.380 -0.404 20 0 BBADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261895385 135261142 /nfs/dbraw/zinc/26/11/42/135261142.db2.gz VZPQTVOKCMHMFF-SNVBAGLBSA-N 2 2 249.380 -0.404 20 0 BBADLP NC(=[NH2+])NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000261902685 135262106 /nfs/dbraw/zinc/26/21/06/135262106.db2.gz WGNVRBPJHWGZPK-UHFFFAOYSA-N 2 2 249.322 -0.918 20 0 BBADLP C[C@H](C(=O)N1CC[NH2+]C[C@H]1C)[NH+]1CCOCC1 ZINC000261903945 135261552 /nfs/dbraw/zinc/26/15/52/135261552.db2.gz WPAOQZNLGGRDDY-GHMZBOCLSA-N 2 2 241.335 -0.473 20 0 BBADLP C[C@@H](C(=O)N1CC[NH2+]C[C@H]1C)[NH+]1CCOCC1 ZINC000261903946 135261884 /nfs/dbraw/zinc/26/18/84/135261884.db2.gz WPAOQZNLGGRDDY-MNOVXSKESA-N 2 2 241.335 -0.473 20 0 BBADLP C[C@@H](C(=O)N1CC[NH2+]C[C@@H]1C)[NH+]1CCOCC1 ZINC000261903948 135261777 /nfs/dbraw/zinc/26/17/77/135261777.db2.gz WPAOQZNLGGRDDY-QWRGUYRKSA-N 2 2 241.335 -0.473 20 0 BBADLP C[C@H](C(=O)N1CC[NH2+]C[C@@H]1C)[NH+]1CCOCC1 ZINC000261903949 135261441 /nfs/dbraw/zinc/26/14/41/135261441.db2.gz WPAOQZNLGGRDDY-WDEREUQCSA-N 2 2 241.335 -0.473 20 0 BBADLP CCOCCNC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261917953 135262660 /nfs/dbraw/zinc/26/26/60/135262660.db2.gz YHAWTEXPBCMAKA-GFCCVEGCSA-N 2 2 243.351 -0.190 20 0 BBADLP CCOCCNC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261917953 135262659 /nfs/dbraw/zinc/26/26/59/135262659.db2.gz YHAWTEXPBCMAKA-GFCCVEGCSA-N 2 2 243.351 -0.190 20 0 BBADLP CCOCCNC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261917956 135262741 /nfs/dbraw/zinc/26/27/41/135262741.db2.gz YHAWTEXPBCMAKA-LBPRGKRZSA-N 2 2 243.351 -0.190 20 0 BBADLP CCOCCNC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261917956 135262740 /nfs/dbraw/zinc/26/27/40/135262740.db2.gz YHAWTEXPBCMAKA-LBPRGKRZSA-N 2 2 243.351 -0.190 20 0 BBADLP C[C@@H](NC(=O)C[C@H](C)[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000261918997 135262488 /nfs/dbraw/zinc/26/24/88/135262488.db2.gz XKGZUKRDIVCJHA-AXFHLTTASA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@H]([NH3+])CC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000261919000 135262541 /nfs/dbraw/zinc/26/25/41/135262541.db2.gz XKGZUKRDIVCJHA-DCAQKATOSA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@H]([C@H](C)NC(=O)C[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000261919001 135262293 /nfs/dbraw/zinc/26/22/93/135262293.db2.gz XKGZUKRDIVCJHA-GARJFASQSA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@@H](NC(=O)C[C@H](C)[NH3+])[C@@H](C)[NH+]1CCOCC1 ZINC000261919004 135262707 /nfs/dbraw/zinc/26/27/07/135262707.db2.gz XKGZUKRDIVCJHA-HBNTYKKESA-N 2 2 243.351 -0.051 20 0 BBADLP NS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261925692 135263340 /nfs/dbraw/zinc/26/33/40/135263340.db2.gz KZQLUCGTMKETDD-NXEZZACHSA-N 2 2 247.364 -0.651 20 0 BBADLP NS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261925692 135263339 /nfs/dbraw/zinc/26/33/39/135263339.db2.gz KZQLUCGTMKETDD-NXEZZACHSA-N 2 2 247.364 -0.651 20 0 BBADLP NS(=O)(=O)[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261925695 135263295 /nfs/dbraw/zinc/26/32/95/135263295.db2.gz KZQLUCGTMKETDD-UWVGGRQHSA-N 2 2 247.364 -0.651 20 0 BBADLP NS(=O)(=O)[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261925695 135263293 /nfs/dbraw/zinc/26/32/93/135263293.db2.gz KZQLUCGTMKETDD-UWVGGRQHSA-N 2 2 247.364 -0.651 20 0 BBADLP NS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261925700 135263636 /nfs/dbraw/zinc/26/36/36/135263636.db2.gz KZQLUCGTMKETDD-VHSXEESVSA-N 2 2 247.364 -0.651 20 0 BBADLP NS(=O)(=O)[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261925700 135263634 /nfs/dbraw/zinc/26/36/34/135263634.db2.gz KZQLUCGTMKETDD-VHSXEESVSA-N 2 2 247.364 -0.651 20 0 BBADLP NS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261925704 135263494 /nfs/dbraw/zinc/26/34/94/135263494.db2.gz KZQLUCGTMKETDD-ZJUUUORDSA-N 2 2 247.364 -0.651 20 0 BBADLP NS(=O)(=O)[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261925704 135263493 /nfs/dbraw/zinc/26/34/93/135263493.db2.gz KZQLUCGTMKETDD-ZJUUUORDSA-N 2 2 247.364 -0.651 20 0 BBADLP C[C@@H]([NH3+])C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000261939023 135264559 /nfs/dbraw/zinc/26/45/59/135264559.db2.gz ZXOWMLUQRSAKLU-SECBINFHSA-N 2 2 237.307 -0.599 20 0 BBADLP CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(C)(C)[NH3+] ZINC000261950828 135265814 /nfs/dbraw/zinc/26/58/14/135265814.db2.gz NZTCUENICSNGMF-SECBINFHSA-N 2 2 249.380 -0.263 20 0 BBADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000261950828 135265812 /nfs/dbraw/zinc/26/58/12/135265812.db2.gz NZTCUENICSNGMF-SECBINFHSA-N 2 2 249.380 -0.263 20 0 BBADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(C)(C)[NH3+] ZINC000261950829 135266481 /nfs/dbraw/zinc/26/64/81/135266481.db2.gz NZTCUENICSNGMF-VIFPVBQESA-N 2 2 249.380 -0.263 20 0 BBADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000261950829 135266480 /nfs/dbraw/zinc/26/64/80/135266480.db2.gz NZTCUENICSNGMF-VIFPVBQESA-N 2 2 249.380 -0.263 20 0 BBADLP COC(=O)[C@H]1COCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261993916 135270581 /nfs/dbraw/zinc/27/05/81/135270581.db2.gz SOQWDQNEUYZKOX-LLVKDONJSA-N 2 2 242.319 -0.140 20 0 BBADLP COC(=O)[C@H]1COCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261993916 135270579 /nfs/dbraw/zinc/27/05/79/135270579.db2.gz SOQWDQNEUYZKOX-LLVKDONJSA-N 2 2 242.319 -0.140 20 0 BBADLP COC(=O)[C@@H]1COCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261993917 135270878 /nfs/dbraw/zinc/27/08/78/135270878.db2.gz SOQWDQNEUYZKOX-NSHDSACASA-N 2 2 242.319 -0.140 20 0 BBADLP COC(=O)[C@@H]1COCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261993917 135270876 /nfs/dbraw/zinc/27/08/76/135270876.db2.gz SOQWDQNEUYZKOX-NSHDSACASA-N 2 2 242.319 -0.140 20 0 BBADLP CC(C)([NH3+])C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000261998114 535199232 /nfs/dbraw/zinc/19/92/32/535199232.db2.gz TVQDLEFMHYHXIP-LLVKDONJSA-N 2 2 240.307 -0.602 20 0 BBADLP CC(C)([NH3+])C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000261998114 535199228 /nfs/dbraw/zinc/19/92/28/535199228.db2.gz TVQDLEFMHYHXIP-LLVKDONJSA-N 2 2 240.307 -0.602 20 0 BBADLP CC(C)([NH3+])C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000261998118 535197439 /nfs/dbraw/zinc/19/74/39/535197439.db2.gz TVQDLEFMHYHXIP-NSHDSACASA-N 2 2 240.307 -0.602 20 0 BBADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000261998118 535197429 /nfs/dbraw/zinc/19/74/29/535197429.db2.gz TVQDLEFMHYHXIP-NSHDSACASA-N 2 2 240.307 -0.602 20 0 BBADLP CNC(=O)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000262035744 536317938 /nfs/dbraw/zinc/31/79/38/536317938.db2.gz XRGXSUBGKJAFMQ-LLVKDONJSA-N 2 2 240.351 -0.057 20 0 BBADLP CNC(=O)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000262035746 536317955 /nfs/dbraw/zinc/31/79/55/536317955.db2.gz XRGXSUBGKJAFMQ-NSHDSACASA-N 2 2 240.351 -0.057 20 0 BBADLP CNC(=O)N1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262053673 536317548 /nfs/dbraw/zinc/31/75/48/536317548.db2.gz QLIPYIGMVPYZBK-GFCCVEGCSA-N 2 2 240.351 -0.057 20 0 BBADLP CNC(=O)N1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262053675 536317999 /nfs/dbraw/zinc/31/79/99/536317999.db2.gz QLIPYIGMVPYZBK-LBPRGKRZSA-N 2 2 240.351 -0.057 20 0 BBADLP COCC[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@@H](C)C(N)=O ZINC000262053682 135277006 /nfs/dbraw/zinc/27/70/06/135277006.db2.gz QLMUCTAAFJOBNI-CMPLNLGQSA-N 2 2 243.351 -0.192 20 0 BBADLP COCC[N@H+](C[C@]1(C)CC[NH2+]C1)[C@@H](C)C(N)=O ZINC000262053682 135277004 /nfs/dbraw/zinc/27/70/04/135277004.db2.gz QLMUCTAAFJOBNI-CMPLNLGQSA-N 2 2 243.351 -0.192 20 0 BBADLP COCC[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H](C)C(N)=O ZINC000262053684 135277233 /nfs/dbraw/zinc/27/72/33/135277233.db2.gz QLMUCTAAFJOBNI-JQWIXIFHSA-N 2 2 243.351 -0.192 20 0 BBADLP COCC[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H](C)C(N)=O ZINC000262053684 135277232 /nfs/dbraw/zinc/27/72/32/135277232.db2.gz QLMUCTAAFJOBNI-JQWIXIFHSA-N 2 2 243.351 -0.192 20 0 BBADLP COCC[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@H](C)C(N)=O ZINC000262053686 135276495 /nfs/dbraw/zinc/27/64/95/135276495.db2.gz QLMUCTAAFJOBNI-PWSUYJOCSA-N 2 2 243.351 -0.192 20 0 BBADLP COCC[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@H](C)C(N)=O ZINC000262053686 135276494 /nfs/dbraw/zinc/27/64/94/135276494.db2.gz QLMUCTAAFJOBNI-PWSUYJOCSA-N 2 2 243.351 -0.192 20 0 BBADLP COCC[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@H](C)C(N)=O ZINC000262053687 135276982 /nfs/dbraw/zinc/27/69/82/135276982.db2.gz QLMUCTAAFJOBNI-ZYHUDNBSSA-N 2 2 243.351 -0.192 20 0 BBADLP COCC[N@H+](C[C@]1(C)CC[NH2+]C1)[C@H](C)C(N)=O ZINC000262053687 135276981 /nfs/dbraw/zinc/27/69/81/135276981.db2.gz QLMUCTAAFJOBNI-ZYHUDNBSSA-N 2 2 243.351 -0.192 20 0 BBADLP COCC[N@@H+](C)CCNC1=[NH+]CCCN1 ZINC000262085507 135277775 /nfs/dbraw/zinc/27/77/75/135277775.db2.gz FZBUIYCTKVSRMK-UHFFFAOYSA-N 2 2 214.313 -0.497 20 0 BBADLP COCC[N@H+](C)CCNC1=[NH+]CCCN1 ZINC000262085507 135277773 /nfs/dbraw/zinc/27/77/73/135277773.db2.gz FZBUIYCTKVSRMK-UHFFFAOYSA-N 2 2 214.313 -0.497 20 0 BBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000262089221 135278631 /nfs/dbraw/zinc/27/86/31/135278631.db2.gz CWTHGLUOIYRHCT-AXFHLTTASA-N 2 2 241.335 -0.474 20 0 BBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000262089221 135278629 /nfs/dbraw/zinc/27/86/29/135278629.db2.gz CWTHGLUOIYRHCT-AXFHLTTASA-N 2 2 241.335 -0.474 20 0 BBADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262089222 135278832 /nfs/dbraw/zinc/27/88/32/135278832.db2.gz CWTHGLUOIYRHCT-MXWKQRLJSA-N 2 2 241.335 -0.474 20 0 BBADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262089222 135278830 /nfs/dbraw/zinc/27/88/30/135278830.db2.gz CWTHGLUOIYRHCT-MXWKQRLJSA-N 2 2 241.335 -0.474 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)C[C@H](C(N)=O)O1 ZINC000262110985 135279957 /nfs/dbraw/zinc/27/99/57/135279957.db2.gz WKVCNLXGRZZSEP-CKYFFXLPSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@H](C(N)=O)O1 ZINC000262110985 135279955 /nfs/dbraw/zinc/27/99/55/135279955.db2.gz WKVCNLXGRZZSEP-CKYFFXLPSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H](C(N)=O)O1 ZINC000262110986 135279764 /nfs/dbraw/zinc/27/97/64/135279764.db2.gz WKVCNLXGRZZSEP-FOGDFJRCSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H](C(N)=O)O1 ZINC000262110986 135279762 /nfs/dbraw/zinc/27/97/62/135279762.db2.gz WKVCNLXGRZZSEP-FOGDFJRCSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)C[C@@H](C(N)=O)O1 ZINC000262110987 135279685 /nfs/dbraw/zinc/27/96/85/135279685.db2.gz WKVCNLXGRZZSEP-JFGNBEQYSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@@H](C(N)=O)O1 ZINC000262110987 135279684 /nfs/dbraw/zinc/27/96/84/135279684.db2.gz WKVCNLXGRZZSEP-JFGNBEQYSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)C[C@@H](C(N)=O)O1 ZINC000262110989 135279986 /nfs/dbraw/zinc/27/99/86/135279986.db2.gz WKVCNLXGRZZSEP-SCVCMEIPSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@@H](C(N)=O)O1 ZINC000262110989 135279985 /nfs/dbraw/zinc/27/99/85/135279985.db2.gz WKVCNLXGRZZSEP-SCVCMEIPSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000262148599 135282005 /nfs/dbraw/zinc/28/20/05/135282005.db2.gz HQEGDHAPFCNWEZ-ZJUUUORDSA-N 2 2 238.291 -0.624 20 0 BBADLP C(C[NH+]1CCSCC1)NC1=[NH+]CCCN1 ZINC000262300011 533362298 /nfs/dbraw/zinc/36/22/98/533362298.db2.gz KGQCSYVRPAAQGJ-UHFFFAOYSA-N 2 2 228.365 -0.026 20 0 BBADLP C[NH2+]CCC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000262324746 135293152 /nfs/dbraw/zinc/29/31/52/135293152.db2.gz FVYFWPIUIHQHRK-UHFFFAOYSA-N 2 2 243.351 -0.177 20 0 BBADLP C[NH2+]CCC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000262324746 135293151 /nfs/dbraw/zinc/29/31/51/135293151.db2.gz FVYFWPIUIHQHRK-UHFFFAOYSA-N 2 2 243.351 -0.177 20 0 BBADLP C[C@H](C[NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000262347734 135294752 /nfs/dbraw/zinc/29/47/52/135294752.db2.gz IRCJDOLRTMZXOK-NXEZZACHSA-N 2 2 229.324 -0.582 20 0 BBADLP C[C@H](C[NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000262347734 135294750 /nfs/dbraw/zinc/29/47/50/135294750.db2.gz IRCJDOLRTMZXOK-NXEZZACHSA-N 2 2 229.324 -0.582 20 0 BBADLP C[C@@H](C[NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000262347736 135294584 /nfs/dbraw/zinc/29/45/84/135294584.db2.gz IRCJDOLRTMZXOK-UWVGGRQHSA-N 2 2 229.324 -0.582 20 0 BBADLP C[C@@H](C[NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000262347736 135294582 /nfs/dbraw/zinc/29/45/82/135294582.db2.gz IRCJDOLRTMZXOK-UWVGGRQHSA-N 2 2 229.324 -0.582 20 0 BBADLP C[C@@H](C[NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000262347738 135294719 /nfs/dbraw/zinc/29/47/19/135294719.db2.gz IRCJDOLRTMZXOK-VHSXEESVSA-N 2 2 229.324 -0.582 20 0 BBADLP C[C@@H](C[NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000262347738 135294718 /nfs/dbraw/zinc/29/47/18/135294718.db2.gz IRCJDOLRTMZXOK-VHSXEESVSA-N 2 2 229.324 -0.582 20 0 BBADLP C[C@H](C[NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000262347740 135294914 /nfs/dbraw/zinc/29/49/14/135294914.db2.gz IRCJDOLRTMZXOK-ZJUUUORDSA-N 2 2 229.324 -0.582 20 0 BBADLP C[C@H](C[NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000262347740 135294912 /nfs/dbraw/zinc/29/49/12/135294912.db2.gz IRCJDOLRTMZXOK-ZJUUUORDSA-N 2 2 229.324 -0.582 20 0 BBADLP C[C@@H](C[NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000262411486 135295034 /nfs/dbraw/zinc/29/50/34/135295034.db2.gz QPJSOBHEIUKTSH-JTQLQIEISA-N 2 2 243.351 -0.192 20 0 BBADLP C[C@@H](C[NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000262411486 135295032 /nfs/dbraw/zinc/29/50/32/135295032.db2.gz QPJSOBHEIUKTSH-JTQLQIEISA-N 2 2 243.351 -0.192 20 0 BBADLP C[C@H](C[NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000262411493 135295576 /nfs/dbraw/zinc/29/55/76/135295576.db2.gz QPJSOBHEIUKTSH-SNVBAGLBSA-N 2 2 243.351 -0.192 20 0 BBADLP C[C@H](C[NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000262411493 135295574 /nfs/dbraw/zinc/29/55/74/135295574.db2.gz QPJSOBHEIUKTSH-SNVBAGLBSA-N 2 2 243.351 -0.192 20 0 BBADLP C[C@@H](C[NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000262420023 135296327 /nfs/dbraw/zinc/29/63/27/135296327.db2.gz RQTVFWJQUYIBAX-JTQLQIEISA-N 2 2 243.351 -0.192 20 0 BBADLP C[C@@H](C[NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000262420023 135296326 /nfs/dbraw/zinc/29/63/26/135296326.db2.gz RQTVFWJQUYIBAX-JTQLQIEISA-N 2 2 243.351 -0.192 20 0 BBADLP C[C@H](C[NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000262420026 135296432 /nfs/dbraw/zinc/29/64/32/135296432.db2.gz RQTVFWJQUYIBAX-SNVBAGLBSA-N 2 2 243.351 -0.192 20 0 BBADLP C[C@H](C[NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000262420026 135296431 /nfs/dbraw/zinc/29/64/31/135296431.db2.gz RQTVFWJQUYIBAX-SNVBAGLBSA-N 2 2 243.351 -0.192 20 0 BBADLP C[NH2+]CCC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000262461167 135300022 /nfs/dbraw/zinc/30/00/22/135300022.db2.gz XCRSQCUGQZGOEE-JTQLQIEISA-N 2 2 229.324 -0.567 20 0 BBADLP C[NH2+]CCC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000262461167 135300020 /nfs/dbraw/zinc/30/00/20/135300020.db2.gz XCRSQCUGQZGOEE-JTQLQIEISA-N 2 2 229.324 -0.567 20 0 BBADLP C[NH2+]CCC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000262461171 135300064 /nfs/dbraw/zinc/30/00/64/135300064.db2.gz XCRSQCUGQZGOEE-SNVBAGLBSA-N 2 2 229.324 -0.567 20 0 BBADLP C[NH2+]CCC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000262461171 135300062 /nfs/dbraw/zinc/30/00/62/135300062.db2.gz XCRSQCUGQZGOEE-SNVBAGLBSA-N 2 2 229.324 -0.567 20 0 BBADLP C[C@H](C[NH3+])C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000262470605 135301097 /nfs/dbraw/zinc/30/10/97/135301097.db2.gz YHSCZDIWPQQGRF-GMTAPVOTSA-N 2 2 243.351 -0.193 20 0 BBADLP C[C@H](C[NH3+])C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000262470607 135301166 /nfs/dbraw/zinc/30/11/66/135301166.db2.gz 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CQRSNIKQPVLUPU-NXEZZACHSA-N 2 2 202.298 -0.059 20 0 BBADLP C[NH2+][C@@H]1CC[N@H+](C[C@H](COC)OC)C1 ZINC000300362327 487510320 /nfs/dbraw/zinc/51/03/20/487510320.db2.gz CQRSNIKQPVLUPU-NXEZZACHSA-N 2 2 202.298 -0.059 20 0 BBADLP C[NH2+][C@H]1CC[N@@H+](C[C@H](COC)OC)C1 ZINC000300362328 487510120 /nfs/dbraw/zinc/51/01/20/487510120.db2.gz CQRSNIKQPVLUPU-VHSXEESVSA-N 2 2 202.298 -0.059 20 0 BBADLP C[NH2+][C@H]1CC[N@H+](C[C@H](COC)OC)C1 ZINC000300362328 487510114 /nfs/dbraw/zinc/51/01/14/487510114.db2.gz CQRSNIKQPVLUPU-VHSXEESVSA-N 2 2 202.298 -0.059 20 0 BBADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC000300691470 347377052 /nfs/dbraw/zinc/37/70/52/347377052.db2.gz VDPOWKSZMJVGEM-NEPJUHHUSA-N 2 2 238.335 -0.072 20 0 BBADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC000300691470 347377048 /nfs/dbraw/zinc/37/70/48/347377048.db2.gz VDPOWKSZMJVGEM-NEPJUHHUSA-N 2 2 238.335 -0.072 20 0 BBADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC000300691471 347376926 /nfs/dbraw/zinc/37/69/26/347376926.db2.gz VDPOWKSZMJVGEM-RYUDHWBXSA-N 2 2 238.335 -0.072 20 0 BBADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC000300691471 347376919 /nfs/dbraw/zinc/37/69/19/347376919.db2.gz VDPOWKSZMJVGEM-RYUDHWBXSA-N 2 2 238.335 -0.072 20 0 BBADLP C[N@@H+](CCCO)CC(=O)N1CC[NH+](C)CC1 ZINC000300788280 173067496 /nfs/dbraw/zinc/06/74/96/173067496.db2.gz XFFUNQXRKLUWEZ-UHFFFAOYSA-N 2 2 229.324 -0.925 20 0 BBADLP C[N@H+](CCCO)CC(=O)N1CC[NH+](C)CC1 ZINC000300788280 173067492 /nfs/dbraw/zinc/06/74/92/173067492.db2.gz XFFUNQXRKLUWEZ-UHFFFAOYSA-N 2 2 229.324 -0.925 20 0 BBADLP CC[N@@H+](CC[NH3+])CCN1C(=O)CCC1=O ZINC000300792073 388393546 /nfs/dbraw/zinc/39/35/46/388393546.db2.gz HOYPRZXDYKZMDB-UHFFFAOYSA-N 2 2 213.281 -0.584 20 0 BBADLP CC[N@H+](CC[NH3+])CCN1C(=O)CCC1=O ZINC000300792073 388393544 /nfs/dbraw/zinc/39/35/44/388393544.db2.gz HOYPRZXDYKZMDB-UHFFFAOYSA-N 2 2 213.281 -0.584 20 0 BBADLP CC[N@@H+](CC[NH3+])CCC(=O)NC(=O)NC ZINC000300874002 349396435 /nfs/dbraw/zinc/39/64/35/349396435.db2.gz XVCSRLHSYLJGMV-UHFFFAOYSA-N 2 2 216.285 -0.887 20 0 BBADLP CC[N@H+](CC[NH3+])CCC(=O)NC(=O)NC ZINC000300874002 349396434 /nfs/dbraw/zinc/39/64/34/349396434.db2.gz XVCSRLHSYLJGMV-UHFFFAOYSA-N 2 2 216.285 -0.887 20 0 BBADLP CCS(=O)(=O)CC[N@@H+](C)CCOCC[NH3+] ZINC000300947111 592526244 /nfs/dbraw/zinc/52/62/44/592526244.db2.gz FLWSQQVPCABYBG-UHFFFAOYSA-N 2 2 238.353 -0.672 20 0 BBADLP CCS(=O)(=O)CC[N@H+](C)CCOCC[NH3+] ZINC000300947111 592526242 /nfs/dbraw/zinc/52/62/42/592526242.db2.gz FLWSQQVPCABYBG-UHFFFAOYSA-N 2 2 238.353 -0.672 20 0 BBADLP CCn1ncnc1C[N@@H+](C)CCOCC[NH3+] ZINC000301019718 383826984 /nfs/dbraw/zinc/82/69/84/383826984.db2.gz JOGLGJZYJFHHMV-UHFFFAOYSA-N 2 2 227.312 -0.295 20 0 BBADLP CCn1ncnc1C[N@H+](C)CCOCC[NH3+] ZINC000301019718 383826976 /nfs/dbraw/zinc/82/69/76/383826976.db2.gz JOGLGJZYJFHHMV-UHFFFAOYSA-N 2 2 227.312 -0.295 20 0 BBADLP Cn1ccc(C[N@@H+](C)CCOCC[NH3+])n1 ZINC000301049394 383877809 /nfs/dbraw/zinc/87/78/09/383877809.db2.gz RMUPBQULGHSEAM-UHFFFAOYSA-N 2 2 212.297 -0.173 20 0 BBADLP Cn1ccc(C[N@H+](C)CCOCC[NH3+])n1 ZINC000301049394 383877806 /nfs/dbraw/zinc/87/78/06/383877806.db2.gz RMUPBQULGHSEAM-UHFFFAOYSA-N 2 2 212.297 -0.173 20 0 BBADLP Cn1c[nH+]cc1C[NH2+]CC(=O)N1CCOCC1 ZINC000301728267 385402386 /nfs/dbraw/zinc/40/23/86/385402386.db2.gz MHIFXFMKVVKJKE-UHFFFAOYSA-N 2 2 238.291 -0.632 20 0 BBADLP C[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000302042269 132259833 /nfs/dbraw/zinc/25/98/33/132259833.db2.gz RWJGPIQFINRUOZ-UHFFFAOYSA-N 2 2 220.276 -0.068 20 0 BBADLP [NH3+][C@H](CC1CC1)C(=O)N1CC[NH+](CCO)CC1 ZINC000302681836 592551113 /nfs/dbraw/zinc/55/11/13/592551113.db2.gz QDSPHACLOROWOX-LLVKDONJSA-N 2 2 241.335 -0.750 20 0 BBADLP [NH3+][C@@H](CC1CC1)C(=O)N1CC[NH+](CCO)CC1 ZINC000302681837 592551539 /nfs/dbraw/zinc/55/15/39/592551539.db2.gz QDSPHACLOROWOX-NSHDSACASA-N 2 2 241.335 -0.750 20 0 BBADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cnn(C)c1 ZINC000303392563 386803094 /nfs/dbraw/zinc/80/30/94/386803094.db2.gz BZGLWJAGUNFEOY-GXSJLCMTSA-N 2 2 226.324 -0.007 20 0 BBADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cnn(C)c1 ZINC000303392564 386803472 /nfs/dbraw/zinc/80/34/72/386803472.db2.gz BZGLWJAGUNFEOY-KOLCDFICSA-N 2 2 226.324 -0.007 20 0 BBADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cnn(C)c1 ZINC000303392566 386802570 /nfs/dbraw/zinc/80/25/70/386802570.db2.gz BZGLWJAGUNFEOY-MWLCHTKSSA-N 2 2 226.324 -0.007 20 0 BBADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cnn(C)c1 ZINC000303392568 386802990 /nfs/dbraw/zinc/80/29/90/386802990.db2.gz BZGLWJAGUNFEOY-ONGXEEELSA-N 2 2 226.324 -0.007 20 0 BBADLP CC[C@@H](O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000304326691 357162425 /nfs/dbraw/zinc/16/24/25/357162425.db2.gz STKPLDVDWJNNRM-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP CC[NH+]1CCN(c2nc(C)[nH+]c(N)n2)CC1 ZINC000304456137 398336481 /nfs/dbraw/zinc/33/64/81/398336481.db2.gz LFGZYZHIKSOTDA-UHFFFAOYSA-N 2 2 222.296 -0.096 20 0 BBADLP Cc1nc(N2CCC[N@H+](C)CC2)nc(N)[nH+]1 ZINC000304570635 384444193 /nfs/dbraw/zinc/44/41/93/384444193.db2.gz ZWEXCBBXYYQVNZ-UHFFFAOYSA-N 2 2 222.296 -0.096 20 0 BBADLP Cc1nc(N2CCC[N@@H+](C)CC2)nc(N)[nH+]1 ZINC000304570635 384444187 /nfs/dbraw/zinc/44/41/87/384444187.db2.gz ZWEXCBBXYYQVNZ-UHFFFAOYSA-N 2 2 222.296 -0.096 20 0 BBADLP CC[C@H](C(=O)N1CC[NH+](CCO)CC1)[NH+](C)C ZINC000305086522 171224348 /nfs/dbraw/zinc/22/43/48/171224348.db2.gz UPDWQTWEEHDRHN-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP Cc1[nH+]ccn1C[C@H](O)C[NH+]1CCOCC1 ZINC000305323249 180267997 /nfs/dbraw/zinc/26/79/97/180267997.db2.gz OOTAAZUNLZJUJJ-LLVKDONJSA-N 2 2 225.292 -0.115 20 0 BBADLP Cc1[nH+]ccn1C[C@@H](O)C[NH+]1CCOCC1 ZINC000305323250 180264917 /nfs/dbraw/zinc/26/49/17/180264917.db2.gz OOTAAZUNLZJUJJ-NSHDSACASA-N 2 2 225.292 -0.115 20 0 BBADLP C[C@@H](C[NH3+])NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000306677346 386621044 /nfs/dbraw/zinc/62/10/44/386621044.db2.gz YPDAHOAPFIQJQS-NTSWFWBYSA-N 2 2 207.224 -0.553 20 0 BBADLP C[C@@H](C[NH3+])NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000306677347 385151672 /nfs/dbraw/zinc/15/16/72/385151672.db2.gz YPDAHOAPFIQJQS-WDSKDSINSA-N 2 2 207.224 -0.553 20 0 BBADLP CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000307184020 711773472 /nfs/dbraw/zinc/77/34/72/711773472.db2.gz ZILFVHUGJHASSH-UHFFFAOYSA-N 2 2 200.286 -0.662 20 0 BBADLP O=C(NC1C[NH2+]C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000307500945 182119263 /nfs/dbraw/zinc/11/92/63/182119263.db2.gz IADJFPLPOMMDFG-LURJTMIESA-N 2 2 205.208 -0.928 20 0 BBADLP O=C(NC1C[NH2+]C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000307500949 182119296 /nfs/dbraw/zinc/11/92/96/182119296.db2.gz IADJFPLPOMMDFG-ZCFIWIBFSA-N 2 2 205.208 -0.928 20 0 BBADLP CCS(=O)(=O)CC[NH2+]CC(C)(C)[NH3+] ZINC000308187383 633190756 /nfs/dbraw/zinc/19/07/56/633190756.db2.gz GSPZJWAXKIRCMH-UHFFFAOYSA-N 2 2 208.327 -0.252 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](O)C1 ZINC000308452860 323174804 /nfs/dbraw/zinc/17/48/04/323174804.db2.gz ALMVJRGCDXLUQA-NXEZZACHSA-N 2 2 202.298 -0.634 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](O)C1 ZINC000308452860 323174803 /nfs/dbraw/zinc/17/48/03/323174803.db2.gz ALMVJRGCDXLUQA-NXEZZACHSA-N 2 2 202.298 -0.634 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)C1 ZINC000308452860 323174802 /nfs/dbraw/zinc/17/48/02/323174802.db2.gz ALMVJRGCDXLUQA-NXEZZACHSA-N 2 2 202.298 -0.634 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)C1 ZINC000308452860 323174801 /nfs/dbraw/zinc/17/48/01/323174801.db2.gz ALMVJRGCDXLUQA-NXEZZACHSA-N 2 2 202.298 -0.634 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](O)C1 ZINC000308452861 323174739 /nfs/dbraw/zinc/17/47/39/323174739.db2.gz ALMVJRGCDXLUQA-UWVGGRQHSA-N 2 2 202.298 -0.634 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](O)C1 ZINC000308452861 323174738 /nfs/dbraw/zinc/17/47/38/323174738.db2.gz ALMVJRGCDXLUQA-UWVGGRQHSA-N 2 2 202.298 -0.634 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)C1 ZINC000308452861 323174737 /nfs/dbraw/zinc/17/47/37/323174737.db2.gz ALMVJRGCDXLUQA-UWVGGRQHSA-N 2 2 202.298 -0.634 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)C1 ZINC000308452861 323174736 /nfs/dbraw/zinc/17/47/36/323174736.db2.gz ALMVJRGCDXLUQA-UWVGGRQHSA-N 2 2 202.298 -0.634 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](O)C1 ZINC000308452863 323174813 /nfs/dbraw/zinc/17/48/13/323174813.db2.gz ALMVJRGCDXLUQA-VHSXEESVSA-N 2 2 202.298 -0.634 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](O)C1 ZINC000308452863 323174812 /nfs/dbraw/zinc/17/48/12/323174812.db2.gz ALMVJRGCDXLUQA-VHSXEESVSA-N 2 2 202.298 -0.634 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](O)C1 ZINC000308452863 323174811 /nfs/dbraw/zinc/17/48/11/323174811.db2.gz ALMVJRGCDXLUQA-VHSXEESVSA-N 2 2 202.298 -0.634 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](O)C1 ZINC000308452863 323174810 /nfs/dbraw/zinc/17/48/10/323174810.db2.gz ALMVJRGCDXLUQA-VHSXEESVSA-N 2 2 202.298 -0.634 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](O)C1 ZINC000308452864 323174751 /nfs/dbraw/zinc/17/47/51/323174751.db2.gz ALMVJRGCDXLUQA-ZJUUUORDSA-N 2 2 202.298 -0.634 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](O)C1 ZINC000308452864 323174750 /nfs/dbraw/zinc/17/47/50/323174750.db2.gz ALMVJRGCDXLUQA-ZJUUUORDSA-N 2 2 202.298 -0.634 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)C1 ZINC000308452864 323174749 /nfs/dbraw/zinc/17/47/49/323174749.db2.gz ALMVJRGCDXLUQA-ZJUUUORDSA-N 2 2 202.298 -0.634 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)C1 ZINC000308452864 323174748 /nfs/dbraw/zinc/17/47/48/323174748.db2.gz ALMVJRGCDXLUQA-ZJUUUORDSA-N 2 2 202.298 -0.634 20 0 BBADLP CN(C)S(=O)(=O)CC[N@@H+](C)CCC[NH3+] ZINC000308526925 384781815 /nfs/dbraw/zinc/78/18/15/384781815.db2.gz JLMFKTPWGUZNBP-UHFFFAOYSA-N 2 2 223.342 -0.842 20 0 BBADLP CN(C)S(=O)(=O)CC[N@H+](C)CCC[NH3+] ZINC000308526925 384781810 /nfs/dbraw/zinc/78/18/10/384781810.db2.gz JLMFKTPWGUZNBP-UHFFFAOYSA-N 2 2 223.342 -0.842 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC1 ZINC000308532080 259340256 /nfs/dbraw/zinc/34/02/56/259340256.db2.gz QYBNBHBLEOUOKN-JTQLQIEISA-N 2 2 202.298 -0.369 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC1 ZINC000308532080 259340254 /nfs/dbraw/zinc/34/02/54/259340254.db2.gz QYBNBHBLEOUOKN-JTQLQIEISA-N 2 2 202.298 -0.369 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC1 ZINC000308532081 259340063 /nfs/dbraw/zinc/34/00/63/259340063.db2.gz QYBNBHBLEOUOKN-SNVBAGLBSA-N 2 2 202.298 -0.369 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC1 ZINC000308532081 259340061 /nfs/dbraw/zinc/34/00/61/259340061.db2.gz QYBNBHBLEOUOKN-SNVBAGLBSA-N 2 2 202.298 -0.369 20 0 BBADLP C[NH+](CCO)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000308550199 384796718 /nfs/dbraw/zinc/79/67/18/384796718.db2.gz RMQRNUWWRASHLV-JTQLQIEISA-N 2 2 202.298 -0.634 20 0 BBADLP C[NH+](CCO)C[C@H](O)C[N@H+](C)C1CC1 ZINC000308550199 384796716 /nfs/dbraw/zinc/79/67/16/384796716.db2.gz RMQRNUWWRASHLV-JTQLQIEISA-N 2 2 202.298 -0.634 20 0 BBADLP C[NH+](C[C@@H](O)C[N@@H+](C)CCO)C1CC1 ZINC000308550199 384796713 /nfs/dbraw/zinc/79/67/13/384796713.db2.gz RMQRNUWWRASHLV-JTQLQIEISA-N 2 2 202.298 -0.634 20 0 BBADLP C[NH+](C[C@@H](O)C[N@H+](C)CCO)C1CC1 ZINC000308550199 384796709 /nfs/dbraw/zinc/79/67/09/384796709.db2.gz RMQRNUWWRASHLV-JTQLQIEISA-N 2 2 202.298 -0.634 20 0 BBADLP C[NH+](CCO)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000308550200 384797249 /nfs/dbraw/zinc/79/72/49/384797249.db2.gz RMQRNUWWRASHLV-SNVBAGLBSA-N 2 2 202.298 -0.634 20 0 BBADLP C[NH+](CCO)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000308550200 384797244 /nfs/dbraw/zinc/79/72/44/384797244.db2.gz RMQRNUWWRASHLV-SNVBAGLBSA-N 2 2 202.298 -0.634 20 0 BBADLP C[NH+](C[C@H](O)C[N@@H+](C)CCO)C1CC1 ZINC000308550200 384797241 /nfs/dbraw/zinc/79/72/41/384797241.db2.gz RMQRNUWWRASHLV-SNVBAGLBSA-N 2 2 202.298 -0.634 20 0 BBADLP C[NH+](C[C@H](O)C[N@H+](C)CCO)C1CC1 ZINC000308550200 384797237 /nfs/dbraw/zinc/79/72/37/384797237.db2.gz RMQRNUWWRASHLV-SNVBAGLBSA-N 2 2 202.298 -0.634 20 0 BBADLP COC[C@H](O)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000308573598 384822493 /nfs/dbraw/zinc/82/24/93/384822493.db2.gz CTHDSJCDCYBGGZ-AEJSXWLSSA-N 2 2 202.298 -0.467 20 0 BBADLP COC[C@H](O)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000308573598 384822487 /nfs/dbraw/zinc/82/24/87/384822487.db2.gz CTHDSJCDCYBGGZ-AEJSXWLSSA-N 2 2 202.298 -0.467 20 0 BBADLP COC[C@H](O)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000308573599 384822353 /nfs/dbraw/zinc/82/23/53/384822353.db2.gz CTHDSJCDCYBGGZ-BBBLOLIVSA-N 2 2 202.298 -0.467 20 0 BBADLP COC[C@H](O)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000308573599 384822346 /nfs/dbraw/zinc/82/23/46/384822346.db2.gz CTHDSJCDCYBGGZ-BBBLOLIVSA-N 2 2 202.298 -0.467 20 0 BBADLP COC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000308573600 384822848 /nfs/dbraw/zinc/82/28/48/384822848.db2.gz CTHDSJCDCYBGGZ-IVZWLZJFSA-N 2 2 202.298 -0.467 20 0 BBADLP COC[C@H](O)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000308573600 384822842 /nfs/dbraw/zinc/82/28/42/384822842.db2.gz CTHDSJCDCYBGGZ-IVZWLZJFSA-N 2 2 202.298 -0.467 20 0 BBADLP COC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000308573601 384822087 /nfs/dbraw/zinc/82/20/87/384822087.db2.gz CTHDSJCDCYBGGZ-OPRDCNLKSA-N 2 2 202.298 -0.467 20 0 BBADLP COC[C@H](O)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000308573601 384822079 /nfs/dbraw/zinc/82/20/79/384822079.db2.gz CTHDSJCDCYBGGZ-OPRDCNLKSA-N 2 2 202.298 -0.467 20 0 BBADLP C[NH+](C)CC(C)(C)[NH2+]CC1(CO)COC1 ZINC000308631049 384880004 /nfs/dbraw/zinc/88/00/04/384880004.db2.gz KBHNBCSIJPGIME-UHFFFAOYSA-N 2 2 216.325 -0.075 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(O)CC1 ZINC000308815017 409908645 /nfs/dbraw/zinc/90/86/45/409908645.db2.gz IGYJVOBQCDRLAI-LLVKDONJSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(O)CC1 ZINC000308815017 409908638 /nfs/dbraw/zinc/90/86/38/409908638.db2.gz IGYJVOBQCDRLAI-LLVKDONJSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(O)CC1 ZINC000308815021 409906396 /nfs/dbraw/zinc/90/63/96/409906396.db2.gz IGYJVOBQCDRLAI-NSHDSACASA-N 2 2 216.325 -0.244 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(O)CC1 ZINC000308815021 409906392 /nfs/dbraw/zinc/90/63/92/409906392.db2.gz IGYJVOBQCDRLAI-NSHDSACASA-N 2 2 216.325 -0.244 20 0 BBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000308838139 348771462 /nfs/dbraw/zinc/77/14/62/348771462.db2.gz MCHMFWIFMVRUAM-IVZWLZJFSA-N 2 2 211.309 -0.066 20 0 BBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000308838139 348771461 /nfs/dbraw/zinc/77/14/61/348771461.db2.gz MCHMFWIFMVRUAM-IVZWLZJFSA-N 2 2 211.309 -0.066 20 0 BBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000308838142 348771441 /nfs/dbraw/zinc/77/14/41/348771441.db2.gz MCHMFWIFMVRUAM-KXUCPTDWSA-N 2 2 211.309 -0.066 20 0 BBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000308838142 348771440 /nfs/dbraw/zinc/77/14/40/348771440.db2.gz MCHMFWIFMVRUAM-KXUCPTDWSA-N 2 2 211.309 -0.066 20 0 BBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000308838145 348771427 /nfs/dbraw/zinc/77/14/27/348771427.db2.gz MCHMFWIFMVRUAM-LPEHRKFASA-N 2 2 211.309 -0.066 20 0 BBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000308838145 348771426 /nfs/dbraw/zinc/77/14/26/348771426.db2.gz MCHMFWIFMVRUAM-LPEHRKFASA-N 2 2 211.309 -0.066 20 0 BBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000308838149 348771485 /nfs/dbraw/zinc/77/14/85/348771485.db2.gz MCHMFWIFMVRUAM-OPRDCNLKSA-N 2 2 211.309 -0.066 20 0 BBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000308838149 348771483 /nfs/dbraw/zinc/77/14/83/348771483.db2.gz MCHMFWIFMVRUAM-OPRDCNLKSA-N 2 2 211.309 -0.066 20 0 BBADLP CN(C)C(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000308868048 172365742 /nfs/dbraw/zinc/36/57/42/172365742.db2.gz RIBKZVSOJVWCIK-NXEZZACHSA-N 2 2 211.309 -0.384 20 0 BBADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000308868048 172365741 /nfs/dbraw/zinc/36/57/41/172365741.db2.gz RIBKZVSOJVWCIK-NXEZZACHSA-N 2 2 211.309 -0.384 20 0 BBADLP CN(C)C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000308868049 172365774 /nfs/dbraw/zinc/36/57/74/172365774.db2.gz RIBKZVSOJVWCIK-UWVGGRQHSA-N 2 2 211.309 -0.384 20 0 BBADLP CN(C)C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000308868049 172365772 /nfs/dbraw/zinc/36/57/72/172365772.db2.gz RIBKZVSOJVWCIK-UWVGGRQHSA-N 2 2 211.309 -0.384 20 0 BBADLP CN(C)C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000308868050 172366330 /nfs/dbraw/zinc/36/63/30/172366330.db2.gz RIBKZVSOJVWCIK-VHSXEESVSA-N 2 2 211.309 -0.384 20 0 BBADLP CN(C)C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000308868050 172366329 /nfs/dbraw/zinc/36/63/29/172366329.db2.gz RIBKZVSOJVWCIK-VHSXEESVSA-N 2 2 211.309 -0.384 20 0 BBADLP CN(C)C(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000308868051 172366520 /nfs/dbraw/zinc/36/65/20/172366520.db2.gz RIBKZVSOJVWCIK-ZJUUUORDSA-N 2 2 211.309 -0.384 20 0 BBADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000308868051 172366517 /nfs/dbraw/zinc/36/65/17/172366517.db2.gz RIBKZVSOJVWCIK-ZJUUUORDSA-N 2 2 211.309 -0.384 20 0 BBADLP NC(=O)C1([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000308871412 181214637 /nfs/dbraw/zinc/21/46/37/181214637.db2.gz JZSLZSANXOKQNK-UHFFFAOYSA-N 2 2 208.265 -0.119 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CCO)C1CC1 ZINC000308886462 323180677 /nfs/dbraw/zinc/18/06/77/323180677.db2.gz WXBHBXATYHZMMB-LLVKDONJSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+](CCO)C1CC1 ZINC000308886462 323180676 /nfs/dbraw/zinc/18/06/76/323180676.db2.gz WXBHBXATYHZMMB-LLVKDONJSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+](CCO)C1CC1 ZINC000308886462 323180675 /nfs/dbraw/zinc/18/06/75/323180675.db2.gz WXBHBXATYHZMMB-LLVKDONJSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+](CCO)C1CC1 ZINC000308886462 323180674 /nfs/dbraw/zinc/18/06/74/323180674.db2.gz WXBHBXATYHZMMB-LLVKDONJSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+](CCO)C1CC1 ZINC000308886463 323180614 /nfs/dbraw/zinc/18/06/14/323180614.db2.gz WXBHBXATYHZMMB-NSHDSACASA-N 2 2 216.325 -0.244 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+](CCO)C1CC1 ZINC000308886463 323180613 /nfs/dbraw/zinc/18/06/13/323180613.db2.gz WXBHBXATYHZMMB-NSHDSACASA-N 2 2 216.325 -0.244 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+](CCO)C1CC1 ZINC000308886463 323180612 /nfs/dbraw/zinc/18/06/12/323180612.db2.gz WXBHBXATYHZMMB-NSHDSACASA-N 2 2 216.325 -0.244 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+](CCO)C1CC1 ZINC000308886463 323180611 /nfs/dbraw/zinc/18/06/11/323180611.db2.gz WXBHBXATYHZMMB-NSHDSACASA-N 2 2 216.325 -0.244 20 0 BBADLP C[NH2+]CCC[N@H+]1CCO[C@H](COC)C1 ZINC000308887827 173347297 /nfs/dbraw/zinc/34/72/97/173347297.db2.gz UXHNDLQWIPPOHI-JTQLQIEISA-N 2 2 202.298 -0.057 20 0 BBADLP C[NH2+]CCC[N@@H+]1CCO[C@H](COC)C1 ZINC000308887827 173347295 /nfs/dbraw/zinc/34/72/95/173347295.db2.gz UXHNDLQWIPPOHI-JTQLQIEISA-N 2 2 202.298 -0.057 20 0 BBADLP C[NH2+]CCC[N@H+]1CCO[C@@H](COC)C1 ZINC000308887830 173346724 /nfs/dbraw/zinc/34/67/24/173346724.db2.gz UXHNDLQWIPPOHI-SNVBAGLBSA-N 2 2 202.298 -0.057 20 0 BBADLP C[NH2+]CCC[N@@H+]1CCO[C@@H](COC)C1 ZINC000308887830 173346723 /nfs/dbraw/zinc/34/67/23/173346723.db2.gz UXHNDLQWIPPOHI-SNVBAGLBSA-N 2 2 202.298 -0.057 20 0 BBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](O)C1 ZINC000308893439 487722905 /nfs/dbraw/zinc/72/29/05/487722905.db2.gz YQZLWFAQBPKKRO-GHMZBOCLSA-N 2 2 216.325 -0.246 20 0 BBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](O)C1 ZINC000308893439 487722899 /nfs/dbraw/zinc/72/28/99/487722899.db2.gz YQZLWFAQBPKKRO-GHMZBOCLSA-N 2 2 216.325 -0.246 20 0 BBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)C1 ZINC000308893439 487722895 /nfs/dbraw/zinc/72/28/95/487722895.db2.gz YQZLWFAQBPKKRO-GHMZBOCLSA-N 2 2 216.325 -0.246 20 0 BBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)C1 ZINC000308893439 487722889 /nfs/dbraw/zinc/72/28/89/487722889.db2.gz YQZLWFAQBPKKRO-GHMZBOCLSA-N 2 2 216.325 -0.246 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](O)C1 ZINC000308893441 487723600 /nfs/dbraw/zinc/72/36/00/487723600.db2.gz YQZLWFAQBPKKRO-MNOVXSKESA-N 2 2 216.325 -0.246 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](O)C1 ZINC000308893441 487723596 /nfs/dbraw/zinc/72/35/96/487723596.db2.gz YQZLWFAQBPKKRO-MNOVXSKESA-N 2 2 216.325 -0.246 20 0 BBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)C1 ZINC000308893441 487723592 /nfs/dbraw/zinc/72/35/92/487723592.db2.gz YQZLWFAQBPKKRO-MNOVXSKESA-N 2 2 216.325 -0.246 20 0 BBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)C1 ZINC000308893441 487723588 /nfs/dbraw/zinc/72/35/88/487723588.db2.gz YQZLWFAQBPKKRO-MNOVXSKESA-N 2 2 216.325 -0.246 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](O)C1 ZINC000308893443 487723196 /nfs/dbraw/zinc/72/31/96/487723196.db2.gz YQZLWFAQBPKKRO-QWRGUYRKSA-N 2 2 216.325 -0.246 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](O)C1 ZINC000308893443 487723190 /nfs/dbraw/zinc/72/31/90/487723190.db2.gz YQZLWFAQBPKKRO-QWRGUYRKSA-N 2 2 216.325 -0.246 20 0 BBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)C1 ZINC000308893443 487723188 /nfs/dbraw/zinc/72/31/88/487723188.db2.gz YQZLWFAQBPKKRO-QWRGUYRKSA-N 2 2 216.325 -0.246 20 0 BBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)C1 ZINC000308893443 487723180 /nfs/dbraw/zinc/72/31/80/487723180.db2.gz YQZLWFAQBPKKRO-QWRGUYRKSA-N 2 2 216.325 -0.246 20 0 BBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](O)C1 ZINC000308893445 410790703 /nfs/dbraw/zinc/79/07/03/410790703.db2.gz YQZLWFAQBPKKRO-WDEREUQCSA-N 2 2 216.325 -0.246 20 0 BBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](O)C1 ZINC000308893445 410790695 /nfs/dbraw/zinc/79/06/95/410790695.db2.gz YQZLWFAQBPKKRO-WDEREUQCSA-N 2 2 216.325 -0.246 20 0 BBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](O)C1 ZINC000308893445 410790690 /nfs/dbraw/zinc/79/06/90/410790690.db2.gz YQZLWFAQBPKKRO-WDEREUQCSA-N 2 2 216.325 -0.246 20 0 BBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](O)C1 ZINC000308893445 410790680 /nfs/dbraw/zinc/79/06/80/410790680.db2.gz YQZLWFAQBPKKRO-WDEREUQCSA-N 2 2 216.325 -0.246 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](O)C1 ZINC000308894466 410790177 /nfs/dbraw/zinc/79/01/77/410790177.db2.gz YYFPMCDSDRIJJY-GHMZBOCLSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000308894466 410790173 /nfs/dbraw/zinc/79/01/73/410790173.db2.gz YYFPMCDSDRIJJY-GHMZBOCLSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](O)C1 ZINC000308894466 410790165 /nfs/dbraw/zinc/79/01/65/410790165.db2.gz YYFPMCDSDRIJJY-GHMZBOCLSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](O)C1 ZINC000308894466 410790159 /nfs/dbraw/zinc/79/01/59/410790159.db2.gz YYFPMCDSDRIJJY-GHMZBOCLSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](O)C1 ZINC000308894468 410789476 /nfs/dbraw/zinc/78/94/76/410789476.db2.gz YYFPMCDSDRIJJY-MNOVXSKESA-N 2 2 216.325 -0.244 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000308894468 410789470 /nfs/dbraw/zinc/78/94/70/410789470.db2.gz YYFPMCDSDRIJJY-MNOVXSKESA-N 2 2 216.325 -0.244 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](O)C1 ZINC000308894468 410789466 /nfs/dbraw/zinc/78/94/66/410789466.db2.gz YYFPMCDSDRIJJY-MNOVXSKESA-N 2 2 216.325 -0.244 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](O)C1 ZINC000308894468 410789461 /nfs/dbraw/zinc/78/94/61/410789461.db2.gz YYFPMCDSDRIJJY-MNOVXSKESA-N 2 2 216.325 -0.244 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](O)C1 ZINC000308894470 323181225 /nfs/dbraw/zinc/18/12/25/323181225.db2.gz YYFPMCDSDRIJJY-QWRGUYRKSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](O)C1 ZINC000308894470 323181224 /nfs/dbraw/zinc/18/12/24/323181224.db2.gz YYFPMCDSDRIJJY-QWRGUYRKSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](O)C1 ZINC000308894470 323181223 /nfs/dbraw/zinc/18/12/23/323181223.db2.gz YYFPMCDSDRIJJY-QWRGUYRKSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](O)C1 ZINC000308894470 323181222 /nfs/dbraw/zinc/18/12/22/323181222.db2.gz YYFPMCDSDRIJJY-QWRGUYRKSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](O)C1 ZINC000308894472 323181203 /nfs/dbraw/zinc/18/12/03/323181203.db2.gz YYFPMCDSDRIJJY-WDEREUQCSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](O)C1 ZINC000308894472 323181202 /nfs/dbraw/zinc/18/12/02/323181202.db2.gz YYFPMCDSDRIJJY-WDEREUQCSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](O)C1 ZINC000308894472 323181201 /nfs/dbraw/zinc/18/12/01/323181201.db2.gz YYFPMCDSDRIJJY-WDEREUQCSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](O)C1 ZINC000308894472 323181200 /nfs/dbraw/zinc/18/12/00/323181200.db2.gz YYFPMCDSDRIJJY-WDEREUQCSA-N 2 2 216.325 -0.244 20 0 BBADLP CNC(=O)C[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000308929130 173280734 /nfs/dbraw/zinc/28/07/34/173280734.db2.gz IZARBRQLZGIHTL-SECBINFHSA-N 2 2 210.281 -0.003 20 0 BBADLP CNC(=O)C[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000308929134 173282184 /nfs/dbraw/zinc/28/21/84/173282184.db2.gz IZARBRQLZGIHTL-VIFPVBQESA-N 2 2 210.281 -0.003 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000308930662 259340729 /nfs/dbraw/zinc/34/07/29/259340729.db2.gz FGEIQSLRKUERNN-JTQLQIEISA-N 3 2 201.314 -0.355 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000308930662 259340727 /nfs/dbraw/zinc/34/07/27/259340727.db2.gz FGEIQSLRKUERNN-JTQLQIEISA-N 3 2 201.314 -0.355 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000308930663 259340526 /nfs/dbraw/zinc/34/05/26/259340526.db2.gz FGEIQSLRKUERNN-SNVBAGLBSA-N 3 2 201.314 -0.355 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000308930663 259340524 /nfs/dbraw/zinc/34/05/24/259340524.db2.gz FGEIQSLRKUERNN-SNVBAGLBSA-N 3 2 201.314 -0.355 20 0 BBADLP COC[C@](C)(O)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000308932885 323182053 /nfs/dbraw/zinc/18/20/53/323182053.db2.gz JZXXGOQSKKTJBQ-GARJFASQSA-N 2 2 216.325 -0.077 20 0 BBADLP COC[C@](C)(O)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000308932885 323182052 /nfs/dbraw/zinc/18/20/52/323182052.db2.gz JZXXGOQSKKTJBQ-GARJFASQSA-N 2 2 216.325 -0.077 20 0 BBADLP COC[C@](C)(O)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000308932887 323181973 /nfs/dbraw/zinc/18/19/73/323181973.db2.gz JZXXGOQSKKTJBQ-GMTAPVOTSA-N 2 2 216.325 -0.077 20 0 BBADLP COC[C@](C)(O)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000308932887 323181972 /nfs/dbraw/zinc/18/19/72/323181972.db2.gz JZXXGOQSKKTJBQ-GMTAPVOTSA-N 2 2 216.325 -0.077 20 0 BBADLP COC[C@](C)(O)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000308932889 323181954 /nfs/dbraw/zinc/18/19/54/323181954.db2.gz JZXXGOQSKKTJBQ-HBNTYKKESA-N 2 2 216.325 -0.077 20 0 BBADLP COC[C@](C)(O)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000308932889 323181953 /nfs/dbraw/zinc/18/19/53/323181953.db2.gz JZXXGOQSKKTJBQ-HBNTYKKESA-N 2 2 216.325 -0.077 20 0 BBADLP COC[C@](C)(O)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000308932891 323181957 /nfs/dbraw/zinc/18/19/57/323181957.db2.gz JZXXGOQSKKTJBQ-OUAUKWLOSA-N 2 2 216.325 -0.077 20 0 BBADLP COC[C@](C)(O)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000308932891 323181956 /nfs/dbraw/zinc/18/19/56/323181956.db2.gz JZXXGOQSKKTJBQ-OUAUKWLOSA-N 2 2 216.325 -0.077 20 0 BBADLP COC[C@H](CCO)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000308968498 385321682 /nfs/dbraw/zinc/32/16/82/385321682.db2.gz XMFNJMTWESRCAG-DCAQKATOSA-N 2 2 216.325 -0.077 20 0 BBADLP COC[C@H](CCO)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000308968498 385321679 /nfs/dbraw/zinc/32/16/79/385321679.db2.gz XMFNJMTWESRCAG-DCAQKATOSA-N 2 2 216.325 -0.077 20 0 BBADLP COC[C@H](CCO)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000308968499 385320348 /nfs/dbraw/zinc/32/03/48/385320348.db2.gz XMFNJMTWESRCAG-GARJFASQSA-N 2 2 216.325 -0.077 20 0 BBADLP COC[C@H](CCO)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000308968499 385320347 /nfs/dbraw/zinc/32/03/47/385320347.db2.gz XMFNJMTWESRCAG-GARJFASQSA-N 2 2 216.325 -0.077 20 0 BBADLP COC[C@H](CCO)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000308968501 385320328 /nfs/dbraw/zinc/32/03/28/385320328.db2.gz XMFNJMTWESRCAG-OUAUKWLOSA-N 2 2 216.325 -0.077 20 0 BBADLP COC[C@H](CCO)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000308968501 385320325 /nfs/dbraw/zinc/32/03/25/385320325.db2.gz XMFNJMTWESRCAG-OUAUKWLOSA-N 2 2 216.325 -0.077 20 0 BBADLP COC[C@H](CCO)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000308968502 385320408 /nfs/dbraw/zinc/32/04/08/385320408.db2.gz XMFNJMTWESRCAG-VWYCJHECSA-N 2 2 216.325 -0.077 20 0 BBADLP COC[C@H](CCO)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000308968502 385320405 /nfs/dbraw/zinc/32/04/05/385320405.db2.gz XMFNJMTWESRCAG-VWYCJHECSA-N 2 2 216.325 -0.077 20 0 BBADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc[nH]n2)C1 ZINC000308969705 173165395 /nfs/dbraw/zinc/16/53/95/173165395.db2.gz YIVBAJNGQUVZHT-JTQLQIEISA-N 2 2 210.281 -0.434 20 0 BBADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc[nH]n2)C1 ZINC000308969705 173165392 /nfs/dbraw/zinc/16/53/92/173165392.db2.gz YIVBAJNGQUVZHT-JTQLQIEISA-N 2 2 210.281 -0.434 20 0 BBADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc[nH]n2)C1 ZINC000308969706 173139128 /nfs/dbraw/zinc/13/91/28/173139128.db2.gz YIVBAJNGQUVZHT-SNVBAGLBSA-N 2 2 210.281 -0.434 20 0 BBADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc[nH]n2)C1 ZINC000308969706 173139125 /nfs/dbraw/zinc/13/91/25/173139125.db2.gz YIVBAJNGQUVZHT-SNVBAGLBSA-N 2 2 210.281 -0.434 20 0 BBADLP C[C@@H](NC[C@H](O)C[NH+](C)C)c1[nH]cc[nH+]1 ZINC000308972134 385326856 /nfs/dbraw/zinc/32/68/56/385326856.db2.gz FOIQVGFTAIKIJQ-BDAKNGLRSA-N 2 2 212.297 -0.017 20 0 BBADLP C[C@H](NC[C@@H](O)C[NH+](C)C)c1[nH]cc[nH+]1 ZINC000308972137 385326974 /nfs/dbraw/zinc/32/69/74/385326974.db2.gz FOIQVGFTAIKIJQ-DTWKUNHWSA-N 2 2 212.297 -0.017 20 0 BBADLP C[C@H](NC[C@H](O)C[NH+](C)C)c1[nH]cc[nH+]1 ZINC000308972139 385328325 /nfs/dbraw/zinc/32/83/25/385328325.db2.gz FOIQVGFTAIKIJQ-IUCAKERBSA-N 2 2 212.297 -0.017 20 0 BBADLP C[C@@H](NC[C@@H](O)C[NH+](C)C)c1[nH]cc[nH+]1 ZINC000308972142 385328144 /nfs/dbraw/zinc/32/81/44/385328144.db2.gz FOIQVGFTAIKIJQ-RKDXNWHRSA-N 2 2 212.297 -0.017 20 0 BBADLP C[C@H](C[N@@H+](C)CCC[NH3+])CS(C)(=O)=O ZINC000308973583 410834398 /nfs/dbraw/zinc/83/43/98/410834398.db2.gz FXTAGASQSPQSBR-SECBINFHSA-N 2 2 222.354 -0.052 20 0 BBADLP C[C@H](C[N@H+](C)CCC[NH3+])CS(C)(=O)=O ZINC000308973583 410834393 /nfs/dbraw/zinc/83/43/93/410834393.db2.gz FXTAGASQSPQSBR-SECBINFHSA-N 2 2 222.354 -0.052 20 0 BBADLP C[C@@H](C[N@@H+](C)CCC[NH3+])CS(C)(=O)=O ZINC000308973586 410192062 /nfs/dbraw/zinc/19/20/62/410192062.db2.gz FXTAGASQSPQSBR-VIFPVBQESA-N 2 2 222.354 -0.052 20 0 BBADLP C[C@@H](C[N@H+](C)CCC[NH3+])CS(C)(=O)=O ZINC000308973586 410192058 /nfs/dbraw/zinc/19/20/58/410192058.db2.gz FXTAGASQSPQSBR-VIFPVBQESA-N 2 2 222.354 -0.052 20 0 BBADLP C[C@@H](O)C[N@@H+](CCO)Cc1c[nH+]cn1C ZINC000308974992 385329620 /nfs/dbraw/zinc/32/96/20/385329620.db2.gz BPFPRJMEMGAYET-SECBINFHSA-N 2 2 213.281 -0.405 20 0 BBADLP C[C@@H](O)C[N@H+](CCO)Cc1c[nH+]cn1C ZINC000308974992 385329616 /nfs/dbraw/zinc/32/96/16/385329616.db2.gz BPFPRJMEMGAYET-SECBINFHSA-N 2 2 213.281 -0.405 20 0 BBADLP C[C@H](O)C[N@@H+](CCO)Cc1c[nH+]cn1C ZINC000308974993 385330438 /nfs/dbraw/zinc/33/04/38/385330438.db2.gz BPFPRJMEMGAYET-VIFPVBQESA-N 2 2 213.281 -0.405 20 0 BBADLP C[C@H](O)C[N@H+](CCO)Cc1c[nH+]cn1C ZINC000308974993 385330433 /nfs/dbraw/zinc/33/04/33/385330433.db2.gz BPFPRJMEMGAYET-VIFPVBQESA-N 2 2 213.281 -0.405 20 0 BBADLP C[C@@H](C[NH2+]CCC(=O)NC(N)=O)[NH+](C)C ZINC000308981399 349262566 /nfs/dbraw/zinc/26/25/66/349262566.db2.gz IGGCGCNICMJAOD-ZETCQYMHSA-N 2 2 216.285 -0.889 20 0 BBADLP C[C@H](O)C[N@@H+](CCO)CCn1cc[nH+]c1 ZINC000308982900 385325945 /nfs/dbraw/zinc/32/59/45/385325945.db2.gz FOPGMPCPQZIUGU-JTQLQIEISA-N 2 2 213.281 -0.442 20 0 BBADLP C[C@H](O)C[N@H+](CCO)CCn1cc[nH+]c1 ZINC000308982900 385325940 /nfs/dbraw/zinc/32/59/40/385325940.db2.gz FOPGMPCPQZIUGU-JTQLQIEISA-N 2 2 213.281 -0.442 20 0 BBADLP C[C@@H](O)C[N@@H+](CCO)CCn1cc[nH+]c1 ZINC000308982901 385325897 /nfs/dbraw/zinc/32/58/97/385325897.db2.gz FOPGMPCPQZIUGU-SNVBAGLBSA-N 2 2 213.281 -0.442 20 0 BBADLP C[C@@H](O)C[N@H+](CCO)CCn1cc[nH+]c1 ZINC000308982901 385325890 /nfs/dbraw/zinc/32/58/90/385325890.db2.gz FOPGMPCPQZIUGU-SNVBAGLBSA-N 2 2 213.281 -0.442 20 0 BBADLP C[C@H]([NH3+])C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000309004698 491051654 /nfs/dbraw/zinc/05/16/54/491051654.db2.gz PHZXFSBJNBQYDS-JTQLQIEISA-N 3 2 200.330 -0.829 20 0 BBADLP C[C@H]([NH3+])C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000309004698 491051652 /nfs/dbraw/zinc/05/16/52/491051652.db2.gz PHZXFSBJNBQYDS-JTQLQIEISA-N 3 2 200.330 -0.829 20 0 BBADLP C[C@@H]([NH3+])C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000309004699 488003540 /nfs/dbraw/zinc/00/35/40/488003540.db2.gz PHZXFSBJNBQYDS-SNVBAGLBSA-N 3 2 200.330 -0.829 20 0 BBADLP C[C@@H]([NH3+])C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000309004699 488003534 /nfs/dbraw/zinc/00/35/34/488003534.db2.gz PHZXFSBJNBQYDS-SNVBAGLBSA-N 3 2 200.330 -0.829 20 0 BBADLP [NH3+]C[C@H]1C[N@@H+](CCc2cn[nH]c2)CCO1 ZINC000309006179 385934645 /nfs/dbraw/zinc/93/46/45/385934645.db2.gz NELLABBBZWCEAE-JTQLQIEISA-N 2 2 210.281 -0.388 20 0 BBADLP [NH3+]C[C@H]1C[N@H+](CCc2cn[nH]c2)CCO1 ZINC000309006179 385934639 /nfs/dbraw/zinc/93/46/39/385934639.db2.gz NELLABBBZWCEAE-JTQLQIEISA-N 2 2 210.281 -0.388 20 0 BBADLP [NH3+]C[C@@H]1C[N@@H+](CCc2cn[nH]c2)CCO1 ZINC000309006180 385933370 /nfs/dbraw/zinc/93/33/70/385933370.db2.gz NELLABBBZWCEAE-SNVBAGLBSA-N 2 2 210.281 -0.388 20 0 BBADLP [NH3+]C[C@@H]1C[N@H+](CCc2cn[nH]c2)CCO1 ZINC000309006180 385933363 /nfs/dbraw/zinc/93/33/63/385933363.db2.gz NELLABBBZWCEAE-SNVBAGLBSA-N 2 2 210.281 -0.388 20 0 BBADLP C[NH2+][C@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000309014654 349304390 /nfs/dbraw/zinc/30/43/90/349304390.db2.gz TWWXUHGYZYXCTO-JTQLQIEISA-N 3 2 201.314 -0.355 20 0 BBADLP C[NH2+][C@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000309014654 349304388 /nfs/dbraw/zinc/30/43/88/349304388.db2.gz TWWXUHGYZYXCTO-JTQLQIEISA-N 3 2 201.314 -0.355 20 0 BBADLP C[NH2+][C@@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000309014657 349303669 /nfs/dbraw/zinc/30/36/69/349303669.db2.gz TWWXUHGYZYXCTO-SNVBAGLBSA-N 3 2 201.314 -0.355 20 0 BBADLP C[NH2+][C@@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000309014657 349303667 /nfs/dbraw/zinc/30/36/67/349303667.db2.gz TWWXUHGYZYXCTO-SNVBAGLBSA-N 3 2 201.314 -0.355 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1CO ZINC000309019809 259341423 /nfs/dbraw/zinc/34/14/23/259341423.db2.gz TWIVQROGKXPGSU-GHMZBOCLSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CO ZINC000309019809 259341421 /nfs/dbraw/zinc/34/14/21/259341421.db2.gz TWIVQROGKXPGSU-GHMZBOCLSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CO ZINC000309019809 259341419 /nfs/dbraw/zinc/34/14/19/259341419.db2.gz TWIVQROGKXPGSU-GHMZBOCLSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CO ZINC000309019809 259341418 /nfs/dbraw/zinc/34/14/18/259341418.db2.gz TWIVQROGKXPGSU-GHMZBOCLSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1CO ZINC000309019810 259341882 /nfs/dbraw/zinc/34/18/82/259341882.db2.gz TWIVQROGKXPGSU-MNOVXSKESA-N 2 2 216.325 -0.244 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CO ZINC000309019810 259341881 /nfs/dbraw/zinc/34/18/81/259341881.db2.gz TWIVQROGKXPGSU-MNOVXSKESA-N 2 2 216.325 -0.244 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CO ZINC000309019810 259341880 /nfs/dbraw/zinc/34/18/80/259341880.db2.gz TWIVQROGKXPGSU-MNOVXSKESA-N 2 2 216.325 -0.244 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CO ZINC000309019810 259341879 /nfs/dbraw/zinc/34/18/79/259341879.db2.gz TWIVQROGKXPGSU-MNOVXSKESA-N 2 2 216.325 -0.244 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1CO ZINC000309019811 346955023 /nfs/dbraw/zinc/95/50/23/346955023.db2.gz TWIVQROGKXPGSU-QWRGUYRKSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1CO ZINC000309019811 346955021 /nfs/dbraw/zinc/95/50/21/346955021.db2.gz TWIVQROGKXPGSU-QWRGUYRKSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CO ZINC000309019811 346955018 /nfs/dbraw/zinc/95/50/18/346955018.db2.gz TWIVQROGKXPGSU-QWRGUYRKSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CO ZINC000309019811 346955017 /nfs/dbraw/zinc/95/50/17/346955017.db2.gz TWIVQROGKXPGSU-QWRGUYRKSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1CO ZINC000309019812 349305933 /nfs/dbraw/zinc/30/59/33/349305933.db2.gz TWIVQROGKXPGSU-WDEREUQCSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1CO ZINC000309019812 349305930 /nfs/dbraw/zinc/30/59/30/349305930.db2.gz TWIVQROGKXPGSU-WDEREUQCSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CO ZINC000309019812 349305926 /nfs/dbraw/zinc/30/59/26/349305926.db2.gz TWIVQROGKXPGSU-WDEREUQCSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CO ZINC000309019812 349305923 /nfs/dbraw/zinc/30/59/23/349305923.db2.gz TWIVQROGKXPGSU-WDEREUQCSA-N 2 2 216.325 -0.244 20 0 BBADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cn[nH]c1 ZINC000309026132 631805422 /nfs/dbraw/zinc/80/54/22/631805422.db2.gz ARYSOFIXGVSMBM-JTQLQIEISA-N 2 2 212.297 -0.188 20 0 BBADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cn[nH]c1 ZINC000309026133 631806257 /nfs/dbraw/zinc/80/62/57/631806257.db2.gz ARYSOFIXGVSMBM-SNVBAGLBSA-N 2 2 212.297 -0.188 20 0 BBADLP COCC[C@H](CO)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000309030476 385378893 /nfs/dbraw/zinc/37/88/93/385378893.db2.gz DLANNVSDAPKKPA-AXFHLTTASA-N 2 2 216.325 -0.077 20 0 BBADLP COCC[C@H](CO)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000309030476 385378889 /nfs/dbraw/zinc/37/88/89/385378889.db2.gz DLANNVSDAPKKPA-AXFHLTTASA-N 2 2 216.325 -0.077 20 0 BBADLP COCC[C@H](CO)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000309030477 385379291 /nfs/dbraw/zinc/37/92/91/385379291.db2.gz DLANNVSDAPKKPA-GMTAPVOTSA-N 2 2 216.325 -0.077 20 0 BBADLP COCC[C@H](CO)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000309030477 385379287 /nfs/dbraw/zinc/37/92/87/385379287.db2.gz DLANNVSDAPKKPA-GMTAPVOTSA-N 2 2 216.325 -0.077 20 0 BBADLP COCC[C@H](CO)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000309030478 385378705 /nfs/dbraw/zinc/37/87/05/385378705.db2.gz DLANNVSDAPKKPA-HBNTYKKESA-N 2 2 216.325 -0.077 20 0 BBADLP COCC[C@H](CO)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000309030478 385378702 /nfs/dbraw/zinc/37/87/02/385378702.db2.gz DLANNVSDAPKKPA-HBNTYKKESA-N 2 2 216.325 -0.077 20 0 BBADLP COCC[C@H](CO)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000309030479 385379363 /nfs/dbraw/zinc/37/93/63/385379363.db2.gz DLANNVSDAPKKPA-MXWKQRLJSA-N 2 2 216.325 -0.077 20 0 BBADLP COCC[C@H](CO)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000309030479 385379360 /nfs/dbraw/zinc/37/93/60/385379360.db2.gz DLANNVSDAPKKPA-MXWKQRLJSA-N 2 2 216.325 -0.077 20 0 BBADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1 ZINC000309030697 170031108 /nfs/dbraw/zinc/03/11/08/170031108.db2.gz DMRNBMDWABWZST-GHMZBOCLSA-N 2 2 216.325 -0.075 20 0 BBADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1 ZINC000309030697 170031106 /nfs/dbraw/zinc/03/11/06/170031106.db2.gz DMRNBMDWABWZST-GHMZBOCLSA-N 2 2 216.325 -0.075 20 0 BBADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCOCCO)C1 ZINC000309030698 170030196 /nfs/dbraw/zinc/03/01/96/170030196.db2.gz DMRNBMDWABWZST-MNOVXSKESA-N 2 2 216.325 -0.075 20 0 BBADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCOCCO)C1 ZINC000309030698 170030194 /nfs/dbraw/zinc/03/01/94/170030194.db2.gz DMRNBMDWABWZST-MNOVXSKESA-N 2 2 216.325 -0.075 20 0 BBADLP CC[N@@H+]1C[C@H]([NH2+]CCOCCO)[C@@H](C)C1 ZINC000309030699 170035434 /nfs/dbraw/zinc/03/54/34/170035434.db2.gz DMRNBMDWABWZST-QWRGUYRKSA-N 2 2 216.325 -0.075 20 0 BBADLP CC[N@H+]1C[C@H]([NH2+]CCOCCO)[C@@H](C)C1 ZINC000309030699 170035432 /nfs/dbraw/zinc/03/54/32/170035432.db2.gz DMRNBMDWABWZST-QWRGUYRKSA-N 2 2 216.325 -0.075 20 0 BBADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCOCCO)C1 ZINC000309030700 170037776 /nfs/dbraw/zinc/03/77/76/170037776.db2.gz DMRNBMDWABWZST-WDEREUQCSA-N 2 2 216.325 -0.075 20 0 BBADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCOCCO)C1 ZINC000309030700 170037775 /nfs/dbraw/zinc/03/77/75/170037775.db2.gz DMRNBMDWABWZST-WDEREUQCSA-N 2 2 216.325 -0.075 20 0 BBADLP CCOC[C@H](O)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000309033490 385381083 /nfs/dbraw/zinc/38/10/83/385381083.db2.gz GPHIQVLLYPLLNX-AXFHLTTASA-N 2 2 216.325 -0.077 20 0 BBADLP CCOC[C@H](O)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000309033490 385381082 /nfs/dbraw/zinc/38/10/82/385381082.db2.gz GPHIQVLLYPLLNX-AXFHLTTASA-N 2 2 216.325 -0.077 20 0 BBADLP CCOC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000309033491 385381043 /nfs/dbraw/zinc/38/10/43/385381043.db2.gz GPHIQVLLYPLLNX-GMTAPVOTSA-N 2 2 216.325 -0.077 20 0 BBADLP CCOC[C@H](O)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000309033491 385381040 /nfs/dbraw/zinc/38/10/40/385381040.db2.gz GPHIQVLLYPLLNX-GMTAPVOTSA-N 2 2 216.325 -0.077 20 0 BBADLP CCOC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000309033492 385381024 /nfs/dbraw/zinc/38/10/24/385381024.db2.gz GPHIQVLLYPLLNX-HBNTYKKESA-N 2 2 216.325 -0.077 20 0 BBADLP CCOC[C@H](O)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000309033492 385381022 /nfs/dbraw/zinc/38/10/22/385381022.db2.gz GPHIQVLLYPLLNX-HBNTYKKESA-N 2 2 216.325 -0.077 20 0 BBADLP CCOC[C@H](O)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000309033493 385380405 /nfs/dbraw/zinc/38/04/05/385380405.db2.gz GPHIQVLLYPLLNX-MXWKQRLJSA-N 2 2 216.325 -0.077 20 0 BBADLP CCOC[C@H](O)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000309033493 385380400 /nfs/dbraw/zinc/38/04/00/385380400.db2.gz GPHIQVLLYPLLNX-MXWKQRLJSA-N 2 2 216.325 -0.077 20 0 BBADLP CNC(=O)NC(=O)CC[N@@H+](C)C[C@@H](C)[NH3+] ZINC000309040900 632625177 /nfs/dbraw/zinc/62/51/77/632625177.db2.gz JVYXYBCSMCDDCZ-SSDOTTSWSA-N 2 2 216.285 -0.889 20 0 BBADLP CNC(=O)NC(=O)CC[N@H+](C)C[C@@H](C)[NH3+] ZINC000309040900 632625172 /nfs/dbraw/zinc/62/51/72/632625172.db2.gz JVYXYBCSMCDDCZ-SSDOTTSWSA-N 2 2 216.285 -0.889 20 0 BBADLP CNC(=O)NC(=O)CC[N@@H+](C)C[C@H](C)[NH3+] ZINC000309040902 632623449 /nfs/dbraw/zinc/62/34/49/632623449.db2.gz JVYXYBCSMCDDCZ-ZETCQYMHSA-N 2 2 216.285 -0.889 20 0 BBADLP CNC(=O)NC(=O)CC[N@H+](C)C[C@H](C)[NH3+] ZINC000309040902 632623444 /nfs/dbraw/zinc/62/34/44/632623444.db2.gz JVYXYBCSMCDDCZ-ZETCQYMHSA-N 2 2 216.285 -0.889 20 0 BBADLP C[C@@H]([NH3+])C[N@@H+](C)CCN1C(=O)CCC1=O ZINC000309043670 342883714 /nfs/dbraw/zinc/88/37/14/342883714.db2.gz LNEPSZLQCAHIDS-MRVPVSSYSA-N 2 2 213.281 -0.586 20 0 BBADLP C[C@@H]([NH3+])C[N@H+](C)CCN1C(=O)CCC1=O ZINC000309043670 342883713 /nfs/dbraw/zinc/88/37/13/342883713.db2.gz LNEPSZLQCAHIDS-MRVPVSSYSA-N 2 2 213.281 -0.586 20 0 BBADLP C[C@H]([NH3+])C[N@@H+](C)CCN1C(=O)CCC1=O ZINC000309043671 342883842 /nfs/dbraw/zinc/88/38/42/342883842.db2.gz LNEPSZLQCAHIDS-QMMMGPOBSA-N 2 2 213.281 -0.586 20 0 BBADLP C[C@H]([NH3+])C[N@H+](C)CCN1C(=O)CCC1=O ZINC000309043671 342883841 /nfs/dbraw/zinc/88/38/41/342883841.db2.gz LNEPSZLQCAHIDS-QMMMGPOBSA-N 2 2 213.281 -0.586 20 0 BBADLP COC[C@H](O)CC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000309055720 385386942 /nfs/dbraw/zinc/38/69/42/385386942.db2.gz UHZSSWAFZOKPGF-AXFHLTTASA-N 2 2 216.325 -0.077 20 0 BBADLP COC[C@H](O)CC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000309055720 385386937 /nfs/dbraw/zinc/38/69/37/385386937.db2.gz UHZSSWAFZOKPGF-AXFHLTTASA-N 2 2 216.325 -0.077 20 0 BBADLP COC[C@H](O)CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000309055721 385387359 /nfs/dbraw/zinc/38/73/59/385387359.db2.gz UHZSSWAFZOKPGF-GMTAPVOTSA-N 2 2 216.325 -0.077 20 0 BBADLP COC[C@H](O)CC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000309055721 385387356 /nfs/dbraw/zinc/38/73/56/385387356.db2.gz UHZSSWAFZOKPGF-GMTAPVOTSA-N 2 2 216.325 -0.077 20 0 BBADLP COC[C@H](O)CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000309055722 385387928 /nfs/dbraw/zinc/38/79/28/385387928.db2.gz UHZSSWAFZOKPGF-HBNTYKKESA-N 2 2 216.325 -0.077 20 0 BBADLP COC[C@H](O)CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000309055722 385387923 /nfs/dbraw/zinc/38/79/23/385387923.db2.gz UHZSSWAFZOKPGF-HBNTYKKESA-N 2 2 216.325 -0.077 20 0 BBADLP COC[C@H](O)CC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000309055723 385387341 /nfs/dbraw/zinc/38/73/41/385387341.db2.gz UHZSSWAFZOKPGF-MXWKQRLJSA-N 2 2 216.325 -0.077 20 0 BBADLP COC[C@H](O)CC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000309055723 385387339 /nfs/dbraw/zinc/38/73/39/385387339.db2.gz UHZSSWAFZOKPGF-MXWKQRLJSA-N 2 2 216.325 -0.077 20 0 BBADLP COCC[N@H+]1CC[C@@H](NCC[NH+](C)C)C1 ZINC000309056034 174312973 /nfs/dbraw/zinc/31/29/73/174312973.db2.gz UMDWXMPMHLLFKP-LLVKDONJSA-N 2 2 215.341 -0.142 20 0 BBADLP COCC[N@@H+]1CC[C@@H](NCC[NH+](C)C)C1 ZINC000309056034 174312971 /nfs/dbraw/zinc/31/29/71/174312971.db2.gz UMDWXMPMHLLFKP-LLVKDONJSA-N 2 2 215.341 -0.142 20 0 BBADLP COCC[N@H+]1CC[C@H](NCC[NH+](C)C)C1 ZINC000309056035 174314220 /nfs/dbraw/zinc/31/42/20/174314220.db2.gz UMDWXMPMHLLFKP-NSHDSACASA-N 2 2 215.341 -0.142 20 0 BBADLP COCC[N@@H+]1CC[C@H](NCC[NH+](C)C)C1 ZINC000309056035 174314218 /nfs/dbraw/zinc/31/42/18/174314218.db2.gz UMDWXMPMHLLFKP-NSHDSACASA-N 2 2 215.341 -0.142 20 0 BBADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H](O)COC)[C@@H](C)C1 ZINC000309059714 170036071 /nfs/dbraw/zinc/03/60/71/170036071.db2.gz VVJFOIJGYGALIO-DCAQKATOSA-N 2 2 216.325 -0.077 20 0 BBADLP CC[N@H+]1C[C@H]([NH2+]C[C@H](O)COC)[C@@H](C)C1 ZINC000309059714 170036070 /nfs/dbraw/zinc/03/60/70/170036070.db2.gz VVJFOIJGYGALIO-DCAQKATOSA-N 2 2 216.325 -0.077 20 0 BBADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](O)COC)C1 ZINC000309059715 170038167 /nfs/dbraw/zinc/03/81/67/170038167.db2.gz VVJFOIJGYGALIO-GARJFASQSA-N 2 2 216.325 -0.077 20 0 BBADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](O)COC)C1 ZINC000309059715 170038164 /nfs/dbraw/zinc/03/81/64/170038164.db2.gz VVJFOIJGYGALIO-GARJFASQSA-N 2 2 216.325 -0.077 20 0 BBADLP O[C@H](C[NH+]1CCCC1)C[NH+]1CCC(O)CC1 ZINC000309059859 632631432 /nfs/dbraw/zinc/63/14/32/632631432.db2.gz UKEMHDDLAIBYAJ-GFCCVEGCSA-N 2 2 228.336 -0.100 20 0 BBADLP O[C@@H](C[NH+]1CCCC1)C[NH+]1CCC(O)CC1 ZINC000309059860 632630012 /nfs/dbraw/zinc/63/00/12/632630012.db2.gz UKEMHDDLAIBYAJ-LBPRGKRZSA-N 2 2 228.336 -0.100 20 0 BBADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)CO ZINC000309060145 631835764 /nfs/dbraw/zinc/83/57/64/631835764.db2.gz VYDXDMQHTBBSEN-GRYCIOLGSA-N 2 2 228.336 -0.102 20 0 BBADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)CO ZINC000309060145 631835760 /nfs/dbraw/zinc/83/57/60/631835760.db2.gz VYDXDMQHTBBSEN-GRYCIOLGSA-N 2 2 228.336 -0.102 20 0 BBADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)CO ZINC000309060145 631835758 /nfs/dbraw/zinc/83/57/58/631835758.db2.gz VYDXDMQHTBBSEN-GRYCIOLGSA-N 2 2 228.336 -0.102 20 0 BBADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)CO ZINC000309060145 631835757 /nfs/dbraw/zinc/83/57/57/631835757.db2.gz VYDXDMQHTBBSEN-GRYCIOLGSA-N 2 2 228.336 -0.102 20 0 BBADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)CO ZINC000309060147 631834167 /nfs/dbraw/zinc/83/41/67/631834167.db2.gz VYDXDMQHTBBSEN-WOPDTQHZSA-N 2 2 228.336 -0.102 20 0 BBADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)CO ZINC000309060147 631834165 /nfs/dbraw/zinc/83/41/65/631834165.db2.gz VYDXDMQHTBBSEN-WOPDTQHZSA-N 2 2 228.336 -0.102 20 0 BBADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)CO ZINC000309060147 631834164 /nfs/dbraw/zinc/83/41/64/631834164.db2.gz VYDXDMQHTBBSEN-WOPDTQHZSA-N 2 2 228.336 -0.102 20 0 BBADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)CO ZINC000309060147 631834161 /nfs/dbraw/zinc/83/41/61/631834161.db2.gz VYDXDMQHTBBSEN-WOPDTQHZSA-N 2 2 228.336 -0.102 20 0 BBADLP [NH3+]CC(F)(F)CNC(=O)[C@H]1CSC[NH2+]1 ZINC000309072955 411300888 /nfs/dbraw/zinc/30/08/88/411300888.db2.gz GVFXSZDAWRZCEU-RXMQYKEDSA-N 2 2 225.264 -0.641 20 0 BBADLP [NH3+]CC[NH+]1CCC(OCCCO)CC1 ZINC000309073638 491144084 /nfs/dbraw/zinc/14/40/84/491144084.db2.gz HSGLKNARIMIZAW-UHFFFAOYSA-N 2 2 202.298 -0.192 20 0 BBADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H](O)C1)C1CC1 ZINC000309097280 385407984 /nfs/dbraw/zinc/40/79/84/385407984.db2.gz HILVCZIYLBBSEJ-GHMZBOCLSA-N 2 2 214.309 -0.492 20 0 BBADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H](O)C1)C1CC1 ZINC000309097280 385407980 /nfs/dbraw/zinc/40/79/80/385407980.db2.gz HILVCZIYLBBSEJ-GHMZBOCLSA-N 2 2 214.309 -0.492 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H](O)C1)C1CC1 ZINC000309097280 385407976 /nfs/dbraw/zinc/40/79/76/385407976.db2.gz HILVCZIYLBBSEJ-GHMZBOCLSA-N 2 2 214.309 -0.492 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H](O)C1)C1CC1 ZINC000309097280 385407972 /nfs/dbraw/zinc/40/79/72/385407972.db2.gz HILVCZIYLBBSEJ-GHMZBOCLSA-N 2 2 214.309 -0.492 20 0 BBADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](O)C1)C1CC1 ZINC000309097282 385407707 /nfs/dbraw/zinc/40/77/07/385407707.db2.gz HILVCZIYLBBSEJ-MNOVXSKESA-N 2 2 214.309 -0.492 20 0 BBADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](O)C1)C1CC1 ZINC000309097282 385407702 /nfs/dbraw/zinc/40/77/02/385407702.db2.gz HILVCZIYLBBSEJ-MNOVXSKESA-N 2 2 214.309 -0.492 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](O)C1)C1CC1 ZINC000309097282 385407697 /nfs/dbraw/zinc/40/76/97/385407697.db2.gz HILVCZIYLBBSEJ-MNOVXSKESA-N 2 2 214.309 -0.492 20 0 BBADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](O)C1)C1CC1 ZINC000309097282 385407694 /nfs/dbraw/zinc/40/76/94/385407694.db2.gz HILVCZIYLBBSEJ-MNOVXSKESA-N 2 2 214.309 -0.492 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000309101242 176274069 /nfs/dbraw/zinc/27/40/69/176274069.db2.gz FTVJCMJIFXOMLL-BBBLOLIVSA-N 2 2 211.309 -0.243 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000309101242 176274067 /nfs/dbraw/zinc/27/40/67/176274067.db2.gz FTVJCMJIFXOMLL-BBBLOLIVSA-N 2 2 211.309 -0.243 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CC(=O)N(C)C1 ZINC000309101243 176278296 /nfs/dbraw/zinc/27/82/96/176278296.db2.gz FTVJCMJIFXOMLL-KXUCPTDWSA-N 2 2 211.309 -0.243 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CC(=O)N(C)C1 ZINC000309101243 176278295 /nfs/dbraw/zinc/27/82/95/176278295.db2.gz FTVJCMJIFXOMLL-KXUCPTDWSA-N 2 2 211.309 -0.243 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000309101244 176277449 /nfs/dbraw/zinc/27/74/49/176277449.db2.gz FTVJCMJIFXOMLL-OPRDCNLKSA-N 2 2 211.309 -0.243 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000309101244 176277448 /nfs/dbraw/zinc/27/74/48/176277448.db2.gz FTVJCMJIFXOMLL-OPRDCNLKSA-N 2 2 211.309 -0.243 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CC(=O)N(C)C1 ZINC000309101245 176273884 /nfs/dbraw/zinc/27/38/84/176273884.db2.gz FTVJCMJIFXOMLL-UTLUCORTSA-N 2 2 211.309 -0.243 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CC(=O)N(C)C1 ZINC000309101245 176273883 /nfs/dbraw/zinc/27/38/83/176273883.db2.gz FTVJCMJIFXOMLL-UTLUCORTSA-N 2 2 211.309 -0.243 20 0 BBADLP C[C@@H](CO)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309105030 385424929 /nfs/dbraw/zinc/42/49/29/385424929.db2.gz LOLFHLGNPKGEKM-GXSJLCMTSA-N 2 2 216.325 -0.246 20 0 BBADLP C[C@@H](CO)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309105030 385424927 /nfs/dbraw/zinc/42/49/27/385424927.db2.gz LOLFHLGNPKGEKM-GXSJLCMTSA-N 2 2 216.325 -0.246 20 0 BBADLP C[C@@H](CO)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309105030 385424922 /nfs/dbraw/zinc/42/49/22/385424922.db2.gz LOLFHLGNPKGEKM-GXSJLCMTSA-N 2 2 216.325 -0.246 20 0 BBADLP C[C@@H](CO)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309105030 385424919 /nfs/dbraw/zinc/42/49/19/385424919.db2.gz LOLFHLGNPKGEKM-GXSJLCMTSA-N 2 2 216.325 -0.246 20 0 BBADLP C[C@H](CO)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309105031 385424590 /nfs/dbraw/zinc/42/45/90/385424590.db2.gz LOLFHLGNPKGEKM-KOLCDFICSA-N 2 2 216.325 -0.246 20 0 BBADLP C[C@H](CO)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000309105031 385424587 /nfs/dbraw/zinc/42/45/87/385424587.db2.gz LOLFHLGNPKGEKM-KOLCDFICSA-N 2 2 216.325 -0.246 20 0 BBADLP C[C@H](CO)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000309105031 385424584 /nfs/dbraw/zinc/42/45/84/385424584.db2.gz LOLFHLGNPKGEKM-KOLCDFICSA-N 2 2 216.325 -0.246 20 0 BBADLP C[C@H](CO)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000309105031 385424581 /nfs/dbraw/zinc/42/45/81/385424581.db2.gz LOLFHLGNPKGEKM-KOLCDFICSA-N 2 2 216.325 -0.246 20 0 BBADLP C[C@H](CO)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309105032 385424951 /nfs/dbraw/zinc/42/49/51/385424951.db2.gz LOLFHLGNPKGEKM-MWLCHTKSSA-N 2 2 216.325 -0.246 20 0 BBADLP C[C@H](CO)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309105032 385424949 /nfs/dbraw/zinc/42/49/49/385424949.db2.gz LOLFHLGNPKGEKM-MWLCHTKSSA-N 2 2 216.325 -0.246 20 0 BBADLP C[C@H](CO)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309105032 385424946 /nfs/dbraw/zinc/42/49/46/385424946.db2.gz LOLFHLGNPKGEKM-MWLCHTKSSA-N 2 2 216.325 -0.246 20 0 BBADLP C[C@H](CO)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309105032 385424944 /nfs/dbraw/zinc/42/49/44/385424944.db2.gz LOLFHLGNPKGEKM-MWLCHTKSSA-N 2 2 216.325 -0.246 20 0 BBADLP C[C@@H](CO)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309105033 385423998 /nfs/dbraw/zinc/42/39/98/385423998.db2.gz LOLFHLGNPKGEKM-ONGXEEELSA-N 2 2 216.325 -0.246 20 0 BBADLP C[C@@H](CO)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000309105033 385423997 /nfs/dbraw/zinc/42/39/97/385423997.db2.gz LOLFHLGNPKGEKM-ONGXEEELSA-N 2 2 216.325 -0.246 20 0 BBADLP C[C@@H](CO)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000309105033 385423996 /nfs/dbraw/zinc/42/39/96/385423996.db2.gz LOLFHLGNPKGEKM-ONGXEEELSA-N 2 2 216.325 -0.246 20 0 BBADLP C[C@@H](CO)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000309105033 385423995 /nfs/dbraw/zinc/42/39/95/385423995.db2.gz LOLFHLGNPKGEKM-ONGXEEELSA-N 2 2 216.325 -0.246 20 0 BBADLP CC[NH+](CCO)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309110485 385426317 /nfs/dbraw/zinc/42/63/17/385426317.db2.gz NXMKTOJWKWYYAC-LLVKDONJSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[NH+](CCO)C[C@H](O)C[N@H+](C)C1CC1 ZINC000309110485 385426316 /nfs/dbraw/zinc/42/63/16/385426316.db2.gz NXMKTOJWKWYYAC-LLVKDONJSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[N@@H+](CCO)C[C@H](O)C[NH+](C)C1CC1 ZINC000309110485 385426313 /nfs/dbraw/zinc/42/63/13/385426313.db2.gz NXMKTOJWKWYYAC-LLVKDONJSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[N@H+](CCO)C[C@H](O)C[NH+](C)C1CC1 ZINC000309110485 385426311 /nfs/dbraw/zinc/42/63/11/385426311.db2.gz NXMKTOJWKWYYAC-LLVKDONJSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[NH+](CCO)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309110486 385426334 /nfs/dbraw/zinc/42/63/34/385426334.db2.gz NXMKTOJWKWYYAC-NSHDSACASA-N 2 2 216.325 -0.244 20 0 BBADLP CC[NH+](CCO)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309110486 385426333 /nfs/dbraw/zinc/42/63/33/385426333.db2.gz NXMKTOJWKWYYAC-NSHDSACASA-N 2 2 216.325 -0.244 20 0 BBADLP CC[N@@H+](CCO)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309110486 385426331 /nfs/dbraw/zinc/42/63/31/385426331.db2.gz NXMKTOJWKWYYAC-NSHDSACASA-N 2 2 216.325 -0.244 20 0 BBADLP CC[N@H+](CCO)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309110486 385426328 /nfs/dbraw/zinc/42/63/28/385426328.db2.gz NXMKTOJWKWYYAC-NSHDSACASA-N 2 2 216.325 -0.244 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@]1(O)CCOC1 ZINC000309115135 176276981 /nfs/dbraw/zinc/27/69/81/176276981.db2.gz LERWCIUHGKEXKI-GMTAPVOTSA-N 2 2 214.309 -0.323 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@]1(O)CCOC1 ZINC000309115135 176276980 /nfs/dbraw/zinc/27/69/80/176276980.db2.gz LERWCIUHGKEXKI-GMTAPVOTSA-N 2 2 214.309 -0.323 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@]1(O)CCOC1 ZINC000309115136 176277724 /nfs/dbraw/zinc/27/77/24/176277724.db2.gz LERWCIUHGKEXKI-MXWKQRLJSA-N 2 2 214.309 -0.323 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@]1(O)CCOC1 ZINC000309115136 176277722 /nfs/dbraw/zinc/27/77/22/176277722.db2.gz LERWCIUHGKEXKI-MXWKQRLJSA-N 2 2 214.309 -0.323 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@]1(O)CCOC1 ZINC000309115137 176274729 /nfs/dbraw/zinc/27/47/29/176274729.db2.gz LERWCIUHGKEXKI-OUAUKWLOSA-N 2 2 214.309 -0.323 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@]1(O)CCOC1 ZINC000309115137 176274728 /nfs/dbraw/zinc/27/47/28/176274728.db2.gz LERWCIUHGKEXKI-OUAUKWLOSA-N 2 2 214.309 -0.323 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@]1(O)CCOC1 ZINC000309115138 176273723 /nfs/dbraw/zinc/27/37/23/176273723.db2.gz LERWCIUHGKEXKI-VWYCJHECSA-N 2 2 214.309 -0.323 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@]1(O)CCOC1 ZINC000309115138 176273721 /nfs/dbraw/zinc/27/37/21/176273721.db2.gz LERWCIUHGKEXKI-VWYCJHECSA-N 2 2 214.309 -0.323 20 0 BBADLP C[C@H](C[NH3+])CNC(=O)CCn1cc[nH+]c1 ZINC000309120367 385424730 /nfs/dbraw/zinc/42/47/30/385424730.db2.gz TUBPCHKQLQRDPE-SECBINFHSA-N 2 2 210.281 -0.016 20 0 BBADLP C[C@@H](C[NH3+])CNC(=O)CCn1cc[nH+]c1 ZINC000309120368 385424089 /nfs/dbraw/zinc/42/40/89/385424089.db2.gz TUBPCHKQLQRDPE-VIFPVBQESA-N 2 2 210.281 -0.016 20 0 BBADLP C[NH+](CCCO)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309124274 385428734 /nfs/dbraw/zinc/42/87/34/385428734.db2.gz VQQUNTOKKURECZ-LLVKDONJSA-N 2 2 216.325 -0.244 20 0 BBADLP C[NH+](CCCO)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309124274 385428729 /nfs/dbraw/zinc/42/87/29/385428729.db2.gz VQQUNTOKKURECZ-LLVKDONJSA-N 2 2 216.325 -0.244 20 0 BBADLP C[NH+](C[C@H](O)C[N@@H+](C)CCCO)C1CC1 ZINC000309124274 385428727 /nfs/dbraw/zinc/42/87/27/385428727.db2.gz VQQUNTOKKURECZ-LLVKDONJSA-N 2 2 216.325 -0.244 20 0 BBADLP C[NH+](C[C@H](O)C[N@H+](C)CCCO)C1CC1 ZINC000309124274 385428725 /nfs/dbraw/zinc/42/87/25/385428725.db2.gz VQQUNTOKKURECZ-LLVKDONJSA-N 2 2 216.325 -0.244 20 0 BBADLP C[NH+](CCCO)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309124275 383900945 /nfs/dbraw/zinc/90/09/45/383900945.db2.gz VQQUNTOKKURECZ-NSHDSACASA-N 2 2 216.325 -0.244 20 0 BBADLP C[NH+](CCCO)C[C@H](O)C[N@H+](C)C1CC1 ZINC000309124275 383900942 /nfs/dbraw/zinc/90/09/42/383900942.db2.gz VQQUNTOKKURECZ-NSHDSACASA-N 2 2 216.325 -0.244 20 0 BBADLP C[NH+](C[C@@H](O)C[N@@H+](C)CCCO)C1CC1 ZINC000309124275 383900940 /nfs/dbraw/zinc/90/09/40/383900940.db2.gz VQQUNTOKKURECZ-NSHDSACASA-N 2 2 216.325 -0.244 20 0 BBADLP C[NH+](C[C@@H](O)C[N@H+](C)CCCO)C1CC1 ZINC000309124275 383900937 /nfs/dbraw/zinc/90/09/37/383900937.db2.gz VQQUNTOKKURECZ-NSHDSACASA-N 2 2 216.325 -0.244 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCn1cncn1 ZINC000309145452 176276920 /nfs/dbraw/zinc/27/69/20/176276920.db2.gz VCHOZRAPZIOUSI-NXEZZACHSA-N 2 2 209.297 -0.182 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCn1cncn1 ZINC000309145452 176276918 /nfs/dbraw/zinc/27/69/18/176276918.db2.gz VCHOZRAPZIOUSI-NXEZZACHSA-N 2 2 209.297 -0.182 20 0 BBADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCn1cncn1 ZINC000309145454 177235763 /nfs/dbraw/zinc/23/57/63/177235763.db2.gz VCHOZRAPZIOUSI-UWVGGRQHSA-N 2 2 209.297 -0.182 20 0 BBADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCn1cncn1 ZINC000309145454 177235762 /nfs/dbraw/zinc/23/57/62/177235762.db2.gz VCHOZRAPZIOUSI-UWVGGRQHSA-N 2 2 209.297 -0.182 20 0 BBADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCn1cncn1 ZINC000309145455 177237499 /nfs/dbraw/zinc/23/74/99/177237499.db2.gz VCHOZRAPZIOUSI-VHSXEESVSA-N 2 2 209.297 -0.182 20 0 BBADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCn1cncn1 ZINC000309145455 177237497 /nfs/dbraw/zinc/23/74/97/177237497.db2.gz VCHOZRAPZIOUSI-VHSXEESVSA-N 2 2 209.297 -0.182 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCn1cncn1 ZINC000309145456 176273363 /nfs/dbraw/zinc/27/33/63/176273363.db2.gz VCHOZRAPZIOUSI-ZJUUUORDSA-N 2 2 209.297 -0.182 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCn1cncn1 ZINC000309145456 176273362 /nfs/dbraw/zinc/27/33/62/176273362.db2.gz VCHOZRAPZIOUSI-ZJUUUORDSA-N 2 2 209.297 -0.182 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H]1COCCO1 ZINC000309156486 176277388 /nfs/dbraw/zinc/27/73/88/176277388.db2.gz XMPHXHMDAKYTSM-GMTAPVOTSA-N 2 2 214.309 -0.059 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H]1COCCO1 ZINC000309156486 176277386 /nfs/dbraw/zinc/27/73/86/176277386.db2.gz XMPHXHMDAKYTSM-GMTAPVOTSA-N 2 2 214.309 -0.059 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1COCCO1 ZINC000309156487 176273375 /nfs/dbraw/zinc/27/33/75/176273375.db2.gz XMPHXHMDAKYTSM-MXWKQRLJSA-N 2 2 214.309 -0.059 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1COCCO1 ZINC000309156487 176273373 /nfs/dbraw/zinc/27/33/73/176273373.db2.gz XMPHXHMDAKYTSM-MXWKQRLJSA-N 2 2 214.309 -0.059 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H]1COCCO1 ZINC000309156488 176277283 /nfs/dbraw/zinc/27/72/83/176277283.db2.gz XMPHXHMDAKYTSM-OUAUKWLOSA-N 2 2 214.309 -0.059 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H]1COCCO1 ZINC000309156488 176277281 /nfs/dbraw/zinc/27/72/81/176277281.db2.gz XMPHXHMDAKYTSM-OUAUKWLOSA-N 2 2 214.309 -0.059 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1COCCO1 ZINC000309156489 176273400 /nfs/dbraw/zinc/27/34/00/176273400.db2.gz XMPHXHMDAKYTSM-VWYCJHECSA-N 2 2 214.309 -0.059 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1COCCO1 ZINC000309156489 176273398 /nfs/dbraw/zinc/27/33/98/176273398.db2.gz XMPHXHMDAKYTSM-VWYCJHECSA-N 2 2 214.309 -0.059 20 0 BBADLP CNS(=O)(=O)CCC[N@@H+](C)[C@H](C)C[NH3+] ZINC000309157916 385441141 /nfs/dbraw/zinc/44/11/41/385441141.db2.gz XWARDRFBTVOMTK-MRVPVSSYSA-N 2 2 223.342 -0.795 20 0 BBADLP CNS(=O)(=O)CCC[N@H+](C)[C@H](C)C[NH3+] ZINC000309157916 385441136 /nfs/dbraw/zinc/44/11/36/385441136.db2.gz XWARDRFBTVOMTK-MRVPVSSYSA-N 2 2 223.342 -0.795 20 0 BBADLP CNS(=O)(=O)CCC[N@@H+](C)[C@@H](C)C[NH3+] ZINC000309157920 385441951 /nfs/dbraw/zinc/44/19/51/385441951.db2.gz XWARDRFBTVOMTK-QMMMGPOBSA-N 2 2 223.342 -0.795 20 0 BBADLP CNS(=O)(=O)CCC[N@H+](C)[C@@H](C)C[NH3+] ZINC000309157920 385441949 /nfs/dbraw/zinc/44/19/49/385441949.db2.gz XWARDRFBTVOMTK-QMMMGPOBSA-N 2 2 223.342 -0.795 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000309162708 487670488 /nfs/dbraw/zinc/67/04/88/487670488.db2.gz ZRLJIIAEHGNOBX-KXUCPTDWSA-N 2 2 211.309 -0.195 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000309162708 487670484 /nfs/dbraw/zinc/67/04/84/487670484.db2.gz ZRLJIIAEHGNOBX-KXUCPTDWSA-N 2 2 211.309 -0.195 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000309162711 487670722 /nfs/dbraw/zinc/67/07/22/487670722.db2.gz ZRLJIIAEHGNOBX-UTLUCORTSA-N 2 2 211.309 -0.195 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000309162711 487670716 /nfs/dbraw/zinc/67/07/16/487670716.db2.gz ZRLJIIAEHGNOBX-UTLUCORTSA-N 2 2 211.309 -0.195 20 0 BBADLP C[N@H+]1CC[C@](O)(CNCc2[nH]cc[nH+]2)C1 ZINC000309170617 173164928 /nfs/dbraw/zinc/16/49/28/173164928.db2.gz LEIYRQGJGXYDPT-JTQLQIEISA-N 2 2 210.281 -0.434 20 0 BBADLP C[N@@H+]1CC[C@](O)(CNCc2[nH]cc[nH+]2)C1 ZINC000309170617 173164926 /nfs/dbraw/zinc/16/49/26/173164926.db2.gz LEIYRQGJGXYDPT-JTQLQIEISA-N 2 2 210.281 -0.434 20 0 BBADLP C[N@H+]1CC[C@@](O)(CNCc2[nH]cc[nH+]2)C1 ZINC000309170618 173139573 /nfs/dbraw/zinc/13/95/73/173139573.db2.gz LEIYRQGJGXYDPT-SNVBAGLBSA-N 2 2 210.281 -0.434 20 0 BBADLP C[N@@H+]1CC[C@@](O)(CNCc2[nH]cc[nH+]2)C1 ZINC000309170618 173139571 /nfs/dbraw/zinc/13/95/71/173139571.db2.gz LEIYRQGJGXYDPT-SNVBAGLBSA-N 2 2 210.281 -0.434 20 0 BBADLP CC[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000309181698 346977336 /nfs/dbraw/zinc/97/73/36/346977336.db2.gz DTAFYJWGJVTGAF-UHFFFAOYSA-N 2 2 223.284 -0.822 20 0 BBADLP C[NH2+]C[C@@H]1CC[N@@H+](CCS(=O)(=O)N(C)C)C1 ZINC000309183664 385453931 /nfs/dbraw/zinc/45/39/31/385453931.db2.gz GHGYVSOSRHOQJN-JTQLQIEISA-N 2 2 249.380 -0.581 20 0 BBADLP C[NH2+]C[C@@H]1CC[N@H+](CCS(=O)(=O)N(C)C)C1 ZINC000309183664 385453926 /nfs/dbraw/zinc/45/39/26/385453926.db2.gz GHGYVSOSRHOQJN-JTQLQIEISA-N 2 2 249.380 -0.581 20 0 BBADLP C[NH2+]C[C@H]1CC[N@@H+](CCS(=O)(=O)N(C)C)C1 ZINC000309183665 385993065 /nfs/dbraw/zinc/99/30/65/385993065.db2.gz GHGYVSOSRHOQJN-SNVBAGLBSA-N 2 2 249.380 -0.581 20 0 BBADLP C[NH2+]C[C@H]1CC[N@H+](CCS(=O)(=O)N(C)C)C1 ZINC000309183665 385993060 /nfs/dbraw/zinc/99/30/60/385993060.db2.gz GHGYVSOSRHOQJN-SNVBAGLBSA-N 2 2 249.380 -0.581 20 0 BBADLP C[C@@H]1C[N@@H+](CCS(=O)(=O)N(C)C)CC[C@H]1[NH3+] ZINC000309191540 385986644 /nfs/dbraw/zinc/98/66/44/385986644.db2.gz IQHJFDHEOCLBCP-NXEZZACHSA-N 2 2 249.380 -0.453 20 0 BBADLP C[C@@H]1C[N@H+](CCS(=O)(=O)N(C)C)CC[C@H]1[NH3+] ZINC000309191540 385986639 /nfs/dbraw/zinc/98/66/39/385986639.db2.gz IQHJFDHEOCLBCP-NXEZZACHSA-N 2 2 249.380 -0.453 20 0 BBADLP C[C@H]1C[N@@H+](CCS(=O)(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000309191542 385988539 /nfs/dbraw/zinc/98/85/39/385988539.db2.gz IQHJFDHEOCLBCP-UWVGGRQHSA-N 2 2 249.380 -0.453 20 0 BBADLP C[C@H]1C[N@H+](CCS(=O)(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000309191542 385988535 /nfs/dbraw/zinc/98/85/35/385988535.db2.gz IQHJFDHEOCLBCP-UWVGGRQHSA-N 2 2 249.380 -0.453 20 0 BBADLP C[C@H]1C[N@@H+](CCS(=O)(=O)N(C)C)CC[C@H]1[NH3+] ZINC000309191544 385987459 /nfs/dbraw/zinc/98/74/59/385987459.db2.gz IQHJFDHEOCLBCP-VHSXEESVSA-N 2 2 249.380 -0.453 20 0 BBADLP C[C@H]1C[N@H+](CCS(=O)(=O)N(C)C)CC[C@H]1[NH3+] ZINC000309191544 385987450 /nfs/dbraw/zinc/98/74/50/385987450.db2.gz IQHJFDHEOCLBCP-VHSXEESVSA-N 2 2 249.380 -0.453 20 0 BBADLP C[C@@H]1C[N@@H+](CCS(=O)(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000309191546 385457846 /nfs/dbraw/zinc/45/78/46/385457846.db2.gz IQHJFDHEOCLBCP-ZJUUUORDSA-N 2 2 249.380 -0.453 20 0 BBADLP C[C@@H]1C[N@H+](CCS(=O)(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000309191546 385457843 /nfs/dbraw/zinc/45/78/43/385457843.db2.gz IQHJFDHEOCLBCP-ZJUUUORDSA-N 2 2 249.380 -0.453 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCS(=O)(=O)N(C)C ZINC000309193578 385456553 /nfs/dbraw/zinc/45/65/53/385456553.db2.gz JGWXDGCJFNLJAP-NXEZZACHSA-N 2 2 249.380 -0.311 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCS(=O)(=O)N(C)C ZINC000309193578 385456550 /nfs/dbraw/zinc/45/65/50/385456550.db2.gz JGWXDGCJFNLJAP-NXEZZACHSA-N 2 2 249.380 -0.311 20 0 BBADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCS(=O)(=O)N(C)C ZINC000309193579 385457635 /nfs/dbraw/zinc/45/76/35/385457635.db2.gz JGWXDGCJFNLJAP-UWVGGRQHSA-N 2 2 249.380 -0.311 20 0 BBADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCS(=O)(=O)N(C)C ZINC000309193579 385457632 /nfs/dbraw/zinc/45/76/32/385457632.db2.gz JGWXDGCJFNLJAP-UWVGGRQHSA-N 2 2 249.380 -0.311 20 0 BBADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCS(=O)(=O)N(C)C ZINC000309193580 385987280 /nfs/dbraw/zinc/98/72/80/385987280.db2.gz JGWXDGCJFNLJAP-VHSXEESVSA-N 2 2 249.380 -0.311 20 0 BBADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCS(=O)(=O)N(C)C ZINC000309193580 385987276 /nfs/dbraw/zinc/98/72/76/385987276.db2.gz JGWXDGCJFNLJAP-VHSXEESVSA-N 2 2 249.380 -0.311 20 0 BBADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCS(=O)(=O)N(C)C ZINC000309193581 385988148 /nfs/dbraw/zinc/98/81/48/385988148.db2.gz JGWXDGCJFNLJAP-ZJUUUORDSA-N 2 2 249.380 -0.311 20 0 BBADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCS(=O)(=O)N(C)C ZINC000309193581 385988145 /nfs/dbraw/zinc/98/81/45/385988145.db2.gz JGWXDGCJFNLJAP-ZJUUUORDSA-N 2 2 249.380 -0.311 20 0 BBADLP CN(C)S(=O)(=O)CC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000309224295 631967338 /nfs/dbraw/zinc/96/73/38/631967338.db2.gz RKMSQSDNOJXMFJ-JTQLQIEISA-N 2 2 249.380 -0.452 20 0 BBADLP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000309224295 631967333 /nfs/dbraw/zinc/96/73/33/631967333.db2.gz RKMSQSDNOJXMFJ-JTQLQIEISA-N 2 2 249.380 -0.452 20 0 BBADLP CN(C)S(=O)(=O)CC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000309224296 632825563 /nfs/dbraw/zinc/82/55/63/632825563.db2.gz RKMSQSDNOJXMFJ-SNVBAGLBSA-N 2 2 249.380 -0.452 20 0 BBADLP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000309224296 632825560 /nfs/dbraw/zinc/82/55/60/632825560.db2.gz RKMSQSDNOJXMFJ-SNVBAGLBSA-N 2 2 249.380 -0.452 20 0 BBADLP CC[NH+](CCO)C[C@H](O)C[N@@H+](C)CCOC ZINC000309265549 410692379 /nfs/dbraw/zinc/69/23/79/410692379.db2.gz QAOIUDPORKLVIH-LLVKDONJSA-N 2 2 234.340 -0.760 20 0 BBADLP CC[NH+](CCO)C[C@H](O)C[N@H+](C)CCOC ZINC000309265549 410692374 /nfs/dbraw/zinc/69/23/74/410692374.db2.gz QAOIUDPORKLVIH-LLVKDONJSA-N 2 2 234.340 -0.760 20 0 BBADLP CC[N@@H+](CCO)C[C@H](O)C[NH+](C)CCOC ZINC000309265549 410692370 /nfs/dbraw/zinc/69/23/70/410692370.db2.gz QAOIUDPORKLVIH-LLVKDONJSA-N 2 2 234.340 -0.760 20 0 BBADLP CC[N@H+](CCO)C[C@H](O)C[NH+](C)CCOC ZINC000309265549 410692364 /nfs/dbraw/zinc/69/23/64/410692364.db2.gz QAOIUDPORKLVIH-LLVKDONJSA-N 2 2 234.340 -0.760 20 0 BBADLP CC[NH+](CCO)C[C@@H](O)C[N@@H+](C)CCOC ZINC000309265551 410691794 /nfs/dbraw/zinc/69/17/94/410691794.db2.gz QAOIUDPORKLVIH-NSHDSACASA-N 2 2 234.340 -0.760 20 0 BBADLP CC[NH+](CCO)C[C@@H](O)C[N@H+](C)CCOC ZINC000309265551 410691790 /nfs/dbraw/zinc/69/17/90/410691790.db2.gz QAOIUDPORKLVIH-NSHDSACASA-N 2 2 234.340 -0.760 20 0 BBADLP CC[N@@H+](CCO)C[C@@H](O)C[NH+](C)CCOC ZINC000309265551 410691782 /nfs/dbraw/zinc/69/17/82/410691782.db2.gz QAOIUDPORKLVIH-NSHDSACASA-N 2 2 234.340 -0.760 20 0 BBADLP CC[N@H+](CCO)C[C@@H](O)C[NH+](C)CCOC ZINC000309265551 410691780 /nfs/dbraw/zinc/69/17/80/410691780.db2.gz QAOIUDPORKLVIH-NSHDSACASA-N 2 2 234.340 -0.760 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCOCCO ZINC000309270715 350248466 /nfs/dbraw/zinc/24/84/66/350248466.db2.gz QZSWEMUUDAPUMN-LLVKDONJSA-N 2 2 234.340 -0.760 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCOCCO ZINC000309270715 350248464 /nfs/dbraw/zinc/24/84/64/350248464.db2.gz QZSWEMUUDAPUMN-LLVKDONJSA-N 2 2 234.340 -0.760 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCOCCO ZINC000309270715 350248462 /nfs/dbraw/zinc/24/84/62/350248462.db2.gz QZSWEMUUDAPUMN-LLVKDONJSA-N 2 2 234.340 -0.760 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCOCCO ZINC000309270715 350248460 /nfs/dbraw/zinc/24/84/60/350248460.db2.gz QZSWEMUUDAPUMN-LLVKDONJSA-N 2 2 234.340 -0.760 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCOCCO ZINC000309270716 350248556 /nfs/dbraw/zinc/24/85/56/350248556.db2.gz QZSWEMUUDAPUMN-NSHDSACASA-N 2 2 234.340 -0.760 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+](C)CCOCCO ZINC000309270716 350248553 /nfs/dbraw/zinc/24/85/53/350248553.db2.gz QZSWEMUUDAPUMN-NSHDSACASA-N 2 2 234.340 -0.760 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCOCCO ZINC000309270716 350248550 /nfs/dbraw/zinc/24/85/50/350248550.db2.gz QZSWEMUUDAPUMN-NSHDSACASA-N 2 2 234.340 -0.760 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+](C)CCOCCO ZINC000309270716 350248548 /nfs/dbraw/zinc/24/85/48/350248548.db2.gz QZSWEMUUDAPUMN-NSHDSACASA-N 2 2 234.340 -0.760 20 0 BBADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H]1CO)C1CC1 ZINC000309273807 384873957 /nfs/dbraw/zinc/87/39/57/384873957.db2.gz SKVFCUXVSLYLRX-NWDGAFQWSA-N 2 2 228.336 -0.102 20 0 BBADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H]1CO)C1CC1 ZINC000309273807 384873954 /nfs/dbraw/zinc/87/39/54/384873954.db2.gz SKVFCUXVSLYLRX-NWDGAFQWSA-N 2 2 228.336 -0.102 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H]1CO)C1CC1 ZINC000309273807 384873947 /nfs/dbraw/zinc/87/39/47/384873947.db2.gz SKVFCUXVSLYLRX-NWDGAFQWSA-N 2 2 228.336 -0.102 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H]1CO)C1CC1 ZINC000309273807 384873942 /nfs/dbraw/zinc/87/39/42/384873942.db2.gz SKVFCUXVSLYLRX-NWDGAFQWSA-N 2 2 228.336 -0.102 20 0 BBADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H]1CO)C1CC1 ZINC000309273809 385508433 /nfs/dbraw/zinc/50/84/33/385508433.db2.gz SKVFCUXVSLYLRX-RYUDHWBXSA-N 2 2 228.336 -0.102 20 0 BBADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H]1CO)C1CC1 ZINC000309273809 385508431 /nfs/dbraw/zinc/50/84/31/385508431.db2.gz SKVFCUXVSLYLRX-RYUDHWBXSA-N 2 2 228.336 -0.102 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H]1CO)C1CC1 ZINC000309273809 385508427 /nfs/dbraw/zinc/50/84/27/385508427.db2.gz SKVFCUXVSLYLRX-RYUDHWBXSA-N 2 2 228.336 -0.102 20 0 BBADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H]1CO)C1CC1 ZINC000309273809 385508424 /nfs/dbraw/zinc/50/84/24/385508424.db2.gz SKVFCUXVSLYLRX-RYUDHWBXSA-N 2 2 228.336 -0.102 20 0 BBADLP [NH3+]CC[N@@H+](CCO)CCC1CC[NH2+]CC1 ZINC000309273949 350253854 /nfs/dbraw/zinc/25/38/54/350253854.db2.gz DLKIHMRIGLZBCQ-UHFFFAOYSA-N 3 2 215.341 -0.371 20 0 BBADLP [NH3+]CC[N@H+](CCO)CCC1CC[NH2+]CC1 ZINC000309273949 350253851 /nfs/dbraw/zinc/25/38/51/350253851.db2.gz DLKIHMRIGLZBCQ-UHFFFAOYSA-N 3 2 215.341 -0.371 20 0 BBADLP COCC[NH+](C)CC(O)C[N@H+](C)CCOC ZINC000309289902 385516623 /nfs/dbraw/zinc/51/66/23/385516623.db2.gz VMYHRTLZHMLHGU-UHFFFAOYSA-N 2 2 234.340 -0.496 20 0 BBADLP COCC[NH+](C)CC(O)C[N@@H+](C)CCOC ZINC000309289902 385516619 /nfs/dbraw/zinc/51/66/19/385516619.db2.gz VMYHRTLZHMLHGU-UHFFFAOYSA-N 2 2 234.340 -0.496 20 0 BBADLP COCCOC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000309290920 631994383 /nfs/dbraw/zinc/99/43/83/631994383.db2.gz JRQYQJVECFUAGE-AXFHLTTASA-N 2 2 232.324 -0.568 20 0 BBADLP COCCOC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000309290920 631994379 /nfs/dbraw/zinc/99/43/79/631994379.db2.gz JRQYQJVECFUAGE-AXFHLTTASA-N 2 2 232.324 -0.568 20 0 BBADLP CN(CCN1CC[NH2+]CC1)Cc1[nH]cc[nH+]1 ZINC000309347991 386003532 /nfs/dbraw/zinc/00/35/32/386003532.db2.gz MNTXRBQKESSFPE-UHFFFAOYSA-N 2 2 223.324 -0.253 20 0 BBADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ncc[nH]1 ZINC000309347991 386003526 /nfs/dbraw/zinc/00/35/26/386003526.db2.gz MNTXRBQKESSFPE-UHFFFAOYSA-N 2 2 223.324 -0.253 20 0 BBADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1ncc[nH]1 ZINC000309347991 386003521 /nfs/dbraw/zinc/00/35/21/386003521.db2.gz MNTXRBQKESSFPE-UHFFFAOYSA-N 2 2 223.324 -0.253 20 0 BBADLP C[C@H](C[NH3+])[N@@H+](C)CCCS(=O)(=O)N(C)C ZINC000309359707 385552667 /nfs/dbraw/zinc/55/26/67/385552667.db2.gz AIEYETSXTZYCSJ-SECBINFHSA-N 2 2 237.369 -0.453 20 0 BBADLP C[C@H](C[NH3+])[N@H+](C)CCCS(=O)(=O)N(C)C ZINC000309359707 385552665 /nfs/dbraw/zinc/55/26/65/385552665.db2.gz AIEYETSXTZYCSJ-SECBINFHSA-N 2 2 237.369 -0.453 20 0 BBADLP C[C@@H](C[NH3+])[N@@H+](C)CCCS(=O)(=O)N(C)C ZINC000309359708 385552771 /nfs/dbraw/zinc/55/27/71/385552771.db2.gz AIEYETSXTZYCSJ-VIFPVBQESA-N 2 2 237.369 -0.453 20 0 BBADLP C[C@@H](C[NH3+])[N@H+](C)CCCS(=O)(=O)N(C)C ZINC000309359708 385552768 /nfs/dbraw/zinc/55/27/68/385552768.db2.gz AIEYETSXTZYCSJ-VIFPVBQESA-N 2 2 237.369 -0.453 20 0 BBADLP COc1ccncc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000309364979 537865530 /nfs/dbraw/zinc/86/55/30/537865530.db2.gz PKFXPBVBQQNFKX-JTQLQIEISA-N 2 2 225.292 -0.158 20 0 BBADLP COc1ccncc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000309364979 537865520 /nfs/dbraw/zinc/86/55/20/537865520.db2.gz PKFXPBVBQQNFKX-JTQLQIEISA-N 2 2 225.292 -0.158 20 0 BBADLP COc1ccncc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000309364980 537864898 /nfs/dbraw/zinc/86/48/98/537864898.db2.gz PKFXPBVBQQNFKX-SNVBAGLBSA-N 2 2 225.292 -0.158 20 0 BBADLP COc1ccncc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000309364980 537864892 /nfs/dbraw/zinc/86/48/92/537864892.db2.gz PKFXPBVBQQNFKX-SNVBAGLBSA-N 2 2 225.292 -0.158 20 0 BBADLP COC[C@H](O)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309382126 350361619 /nfs/dbraw/zinc/36/16/19/350361619.db2.gz GPIMKXNXXRHFTP-GHMZBOCLSA-N 2 2 232.324 -0.962 20 0 BBADLP COC[C@H](O)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309382126 350361616 /nfs/dbraw/zinc/36/16/16/350361616.db2.gz GPIMKXNXXRHFTP-GHMZBOCLSA-N 2 2 232.324 -0.962 20 0 BBADLP COC[C@@H](O)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309382127 711678377 /nfs/dbraw/zinc/67/83/77/711678377.db2.gz GPIMKXNXXRHFTP-MNOVXSKESA-N 2 2 232.324 -0.962 20 0 BBADLP COC[C@@H](O)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309382127 711678375 /nfs/dbraw/zinc/67/83/75/711678375.db2.gz GPIMKXNXXRHFTP-MNOVXSKESA-N 2 2 232.324 -0.962 20 0 BBADLP COC[C@@H](O)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309382129 711677915 /nfs/dbraw/zinc/67/79/15/711677915.db2.gz GPIMKXNXXRHFTP-QWRGUYRKSA-N 2 2 232.324 -0.962 20 0 BBADLP COC[C@@H](O)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309382129 711677912 /nfs/dbraw/zinc/67/79/12/711677912.db2.gz GPIMKXNXXRHFTP-QWRGUYRKSA-N 2 2 232.324 -0.962 20 0 BBADLP COC[C@H](O)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309382130 350361599 /nfs/dbraw/zinc/36/15/99/350361599.db2.gz GPIMKXNXXRHFTP-WDEREUQCSA-N 2 2 232.324 -0.962 20 0 BBADLP COC[C@H](O)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309382130 350361597 /nfs/dbraw/zinc/36/15/97/350361597.db2.gz GPIMKXNXXRHFTP-WDEREUQCSA-N 2 2 232.324 -0.962 20 0 BBADLP CN(C)S(=O)(=O)CC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000309391643 491147946 /nfs/dbraw/zinc/14/79/46/491147946.db2.gz FKGGCPHMKCHCBA-JTQLQIEISA-N 2 2 249.380 -0.452 20 0 BBADLP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000309391643 491147945 /nfs/dbraw/zinc/14/79/45/491147945.db2.gz FKGGCPHMKCHCBA-JTQLQIEISA-N 2 2 249.380 -0.452 20 0 BBADLP CN(C)S(=O)(=O)CC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000309391646 491147955 /nfs/dbraw/zinc/14/79/55/491147955.db2.gz FKGGCPHMKCHCBA-SNVBAGLBSA-N 2 2 249.380 -0.452 20 0 BBADLP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000309391646 491147954 /nfs/dbraw/zinc/14/79/54/491147954.db2.gz FKGGCPHMKCHCBA-SNVBAGLBSA-N 2 2 249.380 -0.452 20 0 BBADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H](O)C1)C1CC1 ZINC000309396754 385561390 /nfs/dbraw/zinc/56/13/90/385561390.db2.gz ILKRNSBTLPKZMR-NWDGAFQWSA-N 2 2 228.336 -0.102 20 0 BBADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H](O)C1)C1CC1 ZINC000309396754 385561389 /nfs/dbraw/zinc/56/13/89/385561389.db2.gz ILKRNSBTLPKZMR-NWDGAFQWSA-N 2 2 228.336 -0.102 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H](O)C1)C1CC1 ZINC000309396754 385561385 /nfs/dbraw/zinc/56/13/85/385561385.db2.gz ILKRNSBTLPKZMR-NWDGAFQWSA-N 2 2 228.336 -0.102 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H](O)C1)C1CC1 ZINC000309396754 385561383 /nfs/dbraw/zinc/56/13/83/385561383.db2.gz ILKRNSBTLPKZMR-NWDGAFQWSA-N 2 2 228.336 -0.102 20 0 BBADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H](O)C1)C1CC1 ZINC000309396755 385561414 /nfs/dbraw/zinc/56/14/14/385561414.db2.gz ILKRNSBTLPKZMR-RYUDHWBXSA-N 2 2 228.336 -0.102 20 0 BBADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H](O)C1)C1CC1 ZINC000309396755 385561411 /nfs/dbraw/zinc/56/14/11/385561411.db2.gz ILKRNSBTLPKZMR-RYUDHWBXSA-N 2 2 228.336 -0.102 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H](O)C1)C1CC1 ZINC000309396755 385561408 /nfs/dbraw/zinc/56/14/08/385561408.db2.gz ILKRNSBTLPKZMR-RYUDHWBXSA-N 2 2 228.336 -0.102 20 0 BBADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H](O)C1)C1CC1 ZINC000309396755 385561406 /nfs/dbraw/zinc/56/14/06/385561406.db2.gz ILKRNSBTLPKZMR-RYUDHWBXSA-N 2 2 228.336 -0.102 20 0 BBADLP C[N@H+]1CCN(Cc2cocn2)[C@@H](C[NH3+])C1 ZINC000309397237 323372665 /nfs/dbraw/zinc/37/26/65/323372665.db2.gz GVELHISGQBCYRH-JTQLQIEISA-N 2 2 210.281 -0.251 20 0 BBADLP C[N@@H+]1CCN(Cc2cocn2)[C@@H](C[NH3+])C1 ZINC000309397237 323372660 /nfs/dbraw/zinc/37/26/60/323372660.db2.gz GVELHISGQBCYRH-JTQLQIEISA-N 2 2 210.281 -0.251 20 0 BBADLP C[N@H+]1CCN(Cc2cocn2)[C@H](C[NH3+])C1 ZINC000309397238 323372761 /nfs/dbraw/zinc/37/27/61/323372761.db2.gz GVELHISGQBCYRH-SNVBAGLBSA-N 2 2 210.281 -0.251 20 0 BBADLP C[N@@H+]1CCN(Cc2cocn2)[C@H](C[NH3+])C1 ZINC000309397238 323372758 /nfs/dbraw/zinc/37/27/58/323372758.db2.gz GVELHISGQBCYRH-SNVBAGLBSA-N 2 2 210.281 -0.251 20 0 BBADLP C[C@H]([NH3+])CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000309402560 385571012 /nfs/dbraw/zinc/57/10/12/385571012.db2.gz HQDNNSXEFCMZJR-BQBZGAKWSA-N 2 2 221.251 -0.163 20 0 BBADLP C[C@H]([NH3+])CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000309402562 176759043 /nfs/dbraw/zinc/75/90/43/176759043.db2.gz HQDNNSXEFCMZJR-NKWVEPMBSA-N 2 2 221.251 -0.163 20 0 BBADLP C[C@@H]([NH3+])CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000309402564 385571158 /nfs/dbraw/zinc/57/11/58/385571158.db2.gz HQDNNSXEFCMZJR-RNFRBKRXSA-N 2 2 221.251 -0.163 20 0 BBADLP C[C@@H]([NH3+])CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000309402565 175805081 /nfs/dbraw/zinc/80/50/81/175805081.db2.gz HQDNNSXEFCMZJR-RQJHMYQMSA-N 2 2 221.251 -0.163 20 0 BBADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCOCC[NH3+])CCO1 ZINC000309415136 411307187 /nfs/dbraw/zinc/30/71/87/411307187.db2.gz JBQLTBSNQRAXSC-NXEZZACHSA-N 3 2 217.313 -0.990 20 0 BBADLP C[C@@H]([NH3+])[C@H]1C[N@H+](CCOCC[NH3+])CCO1 ZINC000309415136 411307186 /nfs/dbraw/zinc/30/71/86/411307186.db2.gz JBQLTBSNQRAXSC-NXEZZACHSA-N 3 2 217.313 -0.990 20 0 BBADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCOCC[NH3+])CCO1 ZINC000309415138 411307283 /nfs/dbraw/zinc/30/72/83/411307283.db2.gz JBQLTBSNQRAXSC-UWVGGRQHSA-N 3 2 217.313 -0.990 20 0 BBADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCOCC[NH3+])CCO1 ZINC000309415138 411307280 /nfs/dbraw/zinc/30/72/80/411307280.db2.gz JBQLTBSNQRAXSC-UWVGGRQHSA-N 3 2 217.313 -0.990 20 0 BBADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CCOCC[NH3+])CCO1 ZINC000309415139 411307216 /nfs/dbraw/zinc/30/72/16/411307216.db2.gz JBQLTBSNQRAXSC-VHSXEESVSA-N 3 2 217.313 -0.990 20 0 BBADLP C[C@H]([NH3+])[C@H]1C[N@H+](CCOCC[NH3+])CCO1 ZINC000309415139 411307215 /nfs/dbraw/zinc/30/72/15/411307215.db2.gz JBQLTBSNQRAXSC-VHSXEESVSA-N 3 2 217.313 -0.990 20 0 BBADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCOCC[NH3+])CCO1 ZINC000309415140 411306832 /nfs/dbraw/zinc/30/68/32/411306832.db2.gz JBQLTBSNQRAXSC-ZJUUUORDSA-N 3 2 217.313 -0.990 20 0 BBADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCOCC[NH3+])CCO1 ZINC000309415140 411306829 /nfs/dbraw/zinc/30/68/29/411306829.db2.gz JBQLTBSNQRAXSC-ZJUUUORDSA-N 3 2 217.313 -0.990 20 0 BBADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1cn[nH]c1 ZINC000309417394 350379050 /nfs/dbraw/zinc/37/90/50/350379050.db2.gz CVWCAXPWERIDRK-LLVKDONJSA-N 2 2 223.324 -0.255 20 0 BBADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1cn[nH]c1 ZINC000309417397 347058384 /nfs/dbraw/zinc/05/83/84/347058384.db2.gz CVWCAXPWERIDRK-NSHDSACASA-N 2 2 223.324 -0.255 20 0 BBADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1cn[nH]c1 ZINC000309417397 347058383 /nfs/dbraw/zinc/05/83/83/347058383.db2.gz CVWCAXPWERIDRK-NSHDSACASA-N 2 2 223.324 -0.255 20 0 BBADLP C[C@@H](NC[C@@H](O)C[NH+](C)C)c1[nH+]ccn1C ZINC000309423196 385577183 /nfs/dbraw/zinc/57/71/83/385577183.db2.gz KARSREZSDUBARM-NXEZZACHSA-N 2 2 226.324 -0.007 20 0 BBADLP C[C@H](NC[C@H](O)C[NH+](C)C)c1[nH+]ccn1C ZINC000309423199 385578106 /nfs/dbraw/zinc/57/81/06/385578106.db2.gz KARSREZSDUBARM-UWVGGRQHSA-N 2 2 226.324 -0.007 20 0 BBADLP C[C@H](NC[C@@H](O)C[NH+](C)C)c1[nH+]ccn1C ZINC000309423201 385577878 /nfs/dbraw/zinc/57/78/78/385577878.db2.gz KARSREZSDUBARM-VHSXEESVSA-N 2 2 226.324 -0.007 20 0 BBADLP C[C@@H](NC[C@H](O)C[NH+](C)C)c1[nH+]ccn1C ZINC000309423204 385577530 /nfs/dbraw/zinc/57/75/30/385577530.db2.gz KARSREZSDUBARM-ZJUUUORDSA-N 2 2 226.324 -0.007 20 0 BBADLP C[C@H](CS(C)(=O)=O)[N@@H+](C)CCOCC[NH3+] ZINC000309458236 385590779 /nfs/dbraw/zinc/59/07/79/385590779.db2.gz OCKVCPPIYKQLAQ-SECBINFHSA-N 2 2 238.353 -0.673 20 0 BBADLP C[C@H](CS(C)(=O)=O)[N@H+](C)CCOCC[NH3+] ZINC000309458236 385590776 /nfs/dbraw/zinc/59/07/76/385590776.db2.gz OCKVCPPIYKQLAQ-SECBINFHSA-N 2 2 238.353 -0.673 20 0 BBADLP C[C@@H](CS(C)(=O)=O)[N@@H+](C)CCOCC[NH3+] ZINC000309458237 385589571 /nfs/dbraw/zinc/58/95/71/385589571.db2.gz OCKVCPPIYKQLAQ-VIFPVBQESA-N 2 2 238.353 -0.673 20 0 BBADLP C[C@@H](CS(C)(=O)=O)[N@H+](C)CCOCC[NH3+] ZINC000309458237 385589566 /nfs/dbraw/zinc/58/95/66/385589566.db2.gz OCKVCPPIYKQLAQ-VIFPVBQESA-N 2 2 238.353 -0.673 20 0 BBADLP C[N@@H+](CCC[NH3+])CC(=O)Nc1ccon1 ZINC000309459836 411403439 /nfs/dbraw/zinc/40/34/39/411403439.db2.gz OMGIDQDXJYYPSL-UHFFFAOYSA-N 2 2 212.253 -0.106 20 0 BBADLP C[N@H+](CCC[NH3+])CC(=O)Nc1ccon1 ZINC000309459836 411403435 /nfs/dbraw/zinc/40/34/35/411403435.db2.gz OMGIDQDXJYYPSL-UHFFFAOYSA-N 2 2 212.253 -0.106 20 0 BBADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H]1CO)C1CC1 ZINC000309464525 385594884 /nfs/dbraw/zinc/59/48/84/385594884.db2.gz SKVFCUXVSLYLRX-NEPJUHHUSA-N 2 2 228.336 -0.102 20 0 BBADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H]1CO)C1CC1 ZINC000309464525 385594882 /nfs/dbraw/zinc/59/48/82/385594882.db2.gz SKVFCUXVSLYLRX-NEPJUHHUSA-N 2 2 228.336 -0.102 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H]1CO)C1CC1 ZINC000309464525 385594878 /nfs/dbraw/zinc/59/48/78/385594878.db2.gz SKVFCUXVSLYLRX-NEPJUHHUSA-N 2 2 228.336 -0.102 20 0 BBADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H]1CO)C1CC1 ZINC000309464525 385594875 /nfs/dbraw/zinc/59/48/75/385594875.db2.gz SKVFCUXVSLYLRX-NEPJUHHUSA-N 2 2 228.336 -0.102 20 0 BBADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H]1CO)C1CC1 ZINC000309464527 385595412 /nfs/dbraw/zinc/59/54/12/385595412.db2.gz SKVFCUXVSLYLRX-VXGBXAGGSA-N 2 2 228.336 -0.102 20 0 BBADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H]1CO)C1CC1 ZINC000309464527 385595409 /nfs/dbraw/zinc/59/54/09/385595409.db2.gz SKVFCUXVSLYLRX-VXGBXAGGSA-N 2 2 228.336 -0.102 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1CO)C1CC1 ZINC000309464527 385595407 /nfs/dbraw/zinc/59/54/07/385595407.db2.gz SKVFCUXVSLYLRX-VXGBXAGGSA-N 2 2 228.336 -0.102 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1CO)C1CC1 ZINC000309464527 385595404 /nfs/dbraw/zinc/59/54/04/385595404.db2.gz SKVFCUXVSLYLRX-VXGBXAGGSA-N 2 2 228.336 -0.102 20 0 BBADLP C[NH+](C[C@@H](O)C[N@@H+](CCO)C1CC1)C1CC1 ZINC000309465151 385595619 /nfs/dbraw/zinc/59/56/19/385595619.db2.gz SOCADASDJQWLOI-GFCCVEGCSA-N 2 2 228.336 -0.102 20 0 BBADLP C[NH+](C[C@@H](O)C[N@H+](CCO)C1CC1)C1CC1 ZINC000309465151 385595617 /nfs/dbraw/zinc/59/56/17/385595617.db2.gz SOCADASDJQWLOI-GFCCVEGCSA-N 2 2 228.336 -0.102 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH+](CCO)C1CC1)C1CC1 ZINC000309465151 385595615 /nfs/dbraw/zinc/59/56/15/385595615.db2.gz SOCADASDJQWLOI-GFCCVEGCSA-N 2 2 228.336 -0.102 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH+](CCO)C1CC1)C1CC1 ZINC000309465151 385595614 /nfs/dbraw/zinc/59/56/14/385595614.db2.gz SOCADASDJQWLOI-GFCCVEGCSA-N 2 2 228.336 -0.102 20 0 BBADLP C[NH+](C[C@H](O)C[N@@H+](CCO)C1CC1)C1CC1 ZINC000309465153 385595223 /nfs/dbraw/zinc/59/52/23/385595223.db2.gz SOCADASDJQWLOI-LBPRGKRZSA-N 2 2 228.336 -0.102 20 0 BBADLP C[NH+](C[C@H](O)C[N@H+](CCO)C1CC1)C1CC1 ZINC000309465153 385595219 /nfs/dbraw/zinc/59/52/19/385595219.db2.gz SOCADASDJQWLOI-LBPRGKRZSA-N 2 2 228.336 -0.102 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH+](CCO)C1CC1)C1CC1 ZINC000309465153 385595214 /nfs/dbraw/zinc/59/52/14/385595214.db2.gz SOCADASDJQWLOI-LBPRGKRZSA-N 2 2 228.336 -0.102 20 0 BBADLP C[N@H+](C[C@H](O)C[NH+](CCO)C1CC1)C1CC1 ZINC000309465153 385595210 /nfs/dbraw/zinc/59/52/10/385595210.db2.gz SOCADASDJQWLOI-LBPRGKRZSA-N 2 2 228.336 -0.102 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(O)CC1)C1CC1 ZINC000309465789 385595959 /nfs/dbraw/zinc/59/59/59/385595959.db2.gz SSTSRKFBEFAHCL-GFCCVEGCSA-N 2 2 228.336 -0.102 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(O)CC1)C1CC1 ZINC000309465789 385595953 /nfs/dbraw/zinc/59/59/53/385595953.db2.gz SSTSRKFBEFAHCL-GFCCVEGCSA-N 2 2 228.336 -0.102 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(O)CC1)C1CC1 ZINC000309466139 385595012 /nfs/dbraw/zinc/59/50/12/385595012.db2.gz SSTSRKFBEFAHCL-LBPRGKRZSA-N 2 2 228.336 -0.102 20 0 BBADLP C[N@H+](C[C@H](O)C[NH+]1CCC(O)CC1)C1CC1 ZINC000309466139 385595009 /nfs/dbraw/zinc/59/50/09/385595009.db2.gz SSTSRKFBEFAHCL-LBPRGKRZSA-N 2 2 228.336 -0.102 20 0 BBADLP C[NH+]1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000309469436 411496752 /nfs/dbraw/zinc/49/67/52/411496752.db2.gz ABTAEXRZLCZVBG-SECBINFHSA-N 2 2 211.309 -0.242 20 0 BBADLP C[NH+]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000309469437 411496849 /nfs/dbraw/zinc/49/68/49/411496849.db2.gz ABTAEXRZLCZVBG-VIFPVBQESA-N 2 2 211.309 -0.242 20 0 BBADLP C[C@@]1(C[N@H+]2CCCNC(=O)C2)CC[NH2+]C1 ZINC000309482501 632418860 /nfs/dbraw/zinc/41/88/60/632418860.db2.gz FASYMFMBZUTVGJ-LLVKDONJSA-N 2 2 211.309 -0.192 20 0 BBADLP C[C@@]1(C[N@@H+]2CCCNC(=O)C2)CC[NH2+]C1 ZINC000309482501 632418852 /nfs/dbraw/zinc/41/88/52/632418852.db2.gz FASYMFMBZUTVGJ-LLVKDONJSA-N 2 2 211.309 -0.192 20 0 BBADLP C[C@]1(C[N@H+]2CCCNC(=O)C2)CC[NH2+]C1 ZINC000309482502 632419362 /nfs/dbraw/zinc/41/93/62/632419362.db2.gz FASYMFMBZUTVGJ-NSHDSACASA-N 2 2 211.309 -0.192 20 0 BBADLP C[C@]1(C[N@@H+]2CCCNC(=O)C2)CC[NH2+]C1 ZINC000309482502 632419359 /nfs/dbraw/zinc/41/93/59/632419359.db2.gz FASYMFMBZUTVGJ-NSHDSACASA-N 2 2 211.309 -0.192 20 0 BBADLP C[N@H+]1CC[C@@](O)(C[NH2+]C2CC[NH+](C)CC2)C1 ZINC000309485464 385614186 /nfs/dbraw/zinc/61/41/86/385614186.db2.gz VFUZOCZXJGCMEA-GFCCVEGCSA-N 3 2 227.352 -0.263 20 0 BBADLP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CC[NH+](C)CC2)C1 ZINC000309485464 385614183 /nfs/dbraw/zinc/61/41/83/385614183.db2.gz VFUZOCZXJGCMEA-GFCCVEGCSA-N 3 2 227.352 -0.263 20 0 BBADLP C[N@H+]1CC[C@](O)(C[NH2+]C2CC[NH+](C)CC2)C1 ZINC000309485465 385612916 /nfs/dbraw/zinc/61/29/16/385612916.db2.gz VFUZOCZXJGCMEA-LBPRGKRZSA-N 3 2 227.352 -0.263 20 0 BBADLP C[N@@H+]1CC[C@](O)(C[NH2+]C2CC[NH+](C)CC2)C1 ZINC000309485465 385612911 /nfs/dbraw/zinc/61/29/11/385612911.db2.gz VFUZOCZXJGCMEA-LBPRGKRZSA-N 3 2 227.352 -0.263 20 0 BBADLP COC[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309489502 259343244 /nfs/dbraw/zinc/34/32/44/259343244.db2.gz XVRGFUWUIGLVNW-GXSJLCMTSA-N 2 2 232.324 -0.962 20 0 BBADLP COC[C@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309489502 259343243 /nfs/dbraw/zinc/34/32/43/259343243.db2.gz XVRGFUWUIGLVNW-GXSJLCMTSA-N 2 2 232.324 -0.962 20 0 BBADLP COC[C@@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309489504 411499082 /nfs/dbraw/zinc/49/90/82/411499082.db2.gz XVRGFUWUIGLVNW-KOLCDFICSA-N 2 2 232.324 -0.962 20 0 BBADLP COC[C@@H](CO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309489504 411499080 /nfs/dbraw/zinc/49/90/80/411499080.db2.gz XVRGFUWUIGLVNW-KOLCDFICSA-N 2 2 232.324 -0.962 20 0 BBADLP COC[C@@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309489506 411498846 /nfs/dbraw/zinc/49/88/46/411498846.db2.gz XVRGFUWUIGLVNW-MWLCHTKSSA-N 2 2 232.324 -0.962 20 0 BBADLP COC[C@@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309489506 411498844 /nfs/dbraw/zinc/49/88/44/411498844.db2.gz XVRGFUWUIGLVNW-MWLCHTKSSA-N 2 2 232.324 -0.962 20 0 BBADLP COC[C@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309489508 259343414 /nfs/dbraw/zinc/34/34/14/259343414.db2.gz XVRGFUWUIGLVNW-ONGXEEELSA-N 2 2 232.324 -0.962 20 0 BBADLP COC[C@H](CO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309489508 259343412 /nfs/dbraw/zinc/34/34/12/259343412.db2.gz XVRGFUWUIGLVNW-ONGXEEELSA-N 2 2 232.324 -0.962 20 0 BBADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@](C)(O)C1)C1CC1 ZINC000309491899 385621802 /nfs/dbraw/zinc/62/18/02/385621802.db2.gz YKWGOEYQKXVBCM-NEPJUHHUSA-N 2 2 228.336 -0.102 20 0 BBADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@](C)(O)C1)C1CC1 ZINC000309491899 385621798 /nfs/dbraw/zinc/62/17/98/385621798.db2.gz YKWGOEYQKXVBCM-NEPJUHHUSA-N 2 2 228.336 -0.102 20 0 BBADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@](C)(O)C1)C1CC1 ZINC000309491900 385620892 /nfs/dbraw/zinc/62/08/92/385620892.db2.gz YKWGOEYQKXVBCM-NWDGAFQWSA-N 2 2 228.336 -0.102 20 0 BBADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@](C)(O)C1)C1CC1 ZINC000309491900 385620885 /nfs/dbraw/zinc/62/08/85/385620885.db2.gz YKWGOEYQKXVBCM-NWDGAFQWSA-N 2 2 228.336 -0.102 20 0 BBADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@](C)(O)C1)C1CC1 ZINC000309491902 385622812 /nfs/dbraw/zinc/62/28/12/385622812.db2.gz YKWGOEYQKXVBCM-RYUDHWBXSA-N 2 2 228.336 -0.102 20 0 BBADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@](C)(O)C1)C1CC1 ZINC000309491902 385622806 /nfs/dbraw/zinc/62/28/06/385622806.db2.gz YKWGOEYQKXVBCM-RYUDHWBXSA-N 2 2 228.336 -0.102 20 0 BBADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@](C)(O)C1)C1CC1 ZINC000309491903 385620514 /nfs/dbraw/zinc/62/05/14/385620514.db2.gz YKWGOEYQKXVBCM-VXGBXAGGSA-N 2 2 228.336 -0.102 20 0 BBADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@](C)(O)C1)C1CC1 ZINC000309491903 385620513 /nfs/dbraw/zinc/62/05/13/385620513.db2.gz YKWGOEYQKXVBCM-VXGBXAGGSA-N 2 2 228.336 -0.102 20 0 BBADLP C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000309497574 487889209 /nfs/dbraw/zinc/88/92/09/487889209.db2.gz KQQGRFWJOXMOKG-NXEZZACHSA-N 2 2 234.365 -0.039 20 0 BBADLP C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000309497574 487889205 /nfs/dbraw/zinc/88/92/05/487889205.db2.gz KQQGRFWJOXMOKG-NXEZZACHSA-N 2 2 234.365 -0.039 20 0 BBADLP C[C@@H](CS(C)(=O)=O)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000309497578 487889192 /nfs/dbraw/zinc/88/91/92/487889192.db2.gz KQQGRFWJOXMOKG-UWVGGRQHSA-N 2 2 234.365 -0.039 20 0 BBADLP C[C@@H](CS(C)(=O)=O)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000309497578 487889189 /nfs/dbraw/zinc/88/91/89/487889189.db2.gz KQQGRFWJOXMOKG-UWVGGRQHSA-N 2 2 234.365 -0.039 20 0 BBADLP C[C@@H](CS(C)(=O)=O)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000309497581 487889105 /nfs/dbraw/zinc/88/91/05/487889105.db2.gz KQQGRFWJOXMOKG-VHSXEESVSA-N 2 2 234.365 -0.039 20 0 BBADLP C[C@@H](CS(C)(=O)=O)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000309497581 487889099 /nfs/dbraw/zinc/88/90/99/487889099.db2.gz KQQGRFWJOXMOKG-VHSXEESVSA-N 2 2 234.365 -0.039 20 0 BBADLP C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000309497585 491055935 /nfs/dbraw/zinc/05/59/35/491055935.db2.gz KQQGRFWJOXMOKG-ZJUUUORDSA-N 2 2 234.365 -0.039 20 0 BBADLP C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000309497585 491055934 /nfs/dbraw/zinc/05/59/34/491055934.db2.gz KQQGRFWJOXMOKG-ZJUUUORDSA-N 2 2 234.365 -0.039 20 0 BBADLP C[NH2+]CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000309521698 387817168 /nfs/dbraw/zinc/81/71/68/387817168.db2.gz UGWXJOXFHKSTJB-SECBINFHSA-N 2 2 215.297 -0.957 20 0 BBADLP C[NH2+]CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000309521698 387817163 /nfs/dbraw/zinc/81/71/63/387817163.db2.gz UGWXJOXFHKSTJB-SECBINFHSA-N 2 2 215.297 -0.957 20 0 BBADLP C[NH2+]CC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000309521699 387817443 /nfs/dbraw/zinc/81/74/43/387817443.db2.gz UGWXJOXFHKSTJB-VIFPVBQESA-N 2 2 215.297 -0.957 20 0 BBADLP C[NH2+]CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000309521699 387817440 /nfs/dbraw/zinc/81/74/40/387817440.db2.gz UGWXJOXFHKSTJB-VIFPVBQESA-N 2 2 215.297 -0.957 20 0 BBADLP [NH3+]CC[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000309525199 411162879 /nfs/dbraw/zinc/16/28/79/411162879.db2.gz CJGZXBPCUKJHRV-SECBINFHSA-N 2 2 212.297 -0.565 20 0 BBADLP [NH3+]CC[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000309525199 411162874 /nfs/dbraw/zinc/16/28/74/411162874.db2.gz CJGZXBPCUKJHRV-SECBINFHSA-N 2 2 212.297 -0.565 20 0 BBADLP [NH3+]CC[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000309525202 411163033 /nfs/dbraw/zinc/16/30/33/411163033.db2.gz CJGZXBPCUKJHRV-VIFPVBQESA-N 2 2 212.297 -0.565 20 0 BBADLP [NH3+]CC[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000309525202 411163028 /nfs/dbraw/zinc/16/30/28/411163028.db2.gz CJGZXBPCUKJHRV-VIFPVBQESA-N 2 2 212.297 -0.565 20 0 BBADLP [NH3+]CCOCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000309540813 370224862 /nfs/dbraw/zinc/22/48/62/370224862.db2.gz GKEDITJELVJDLP-MNOVXSKESA-N 3 2 213.325 -0.212 20 0 BBADLP [NH3+]CCOCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000309540813 370224857 /nfs/dbraw/zinc/22/48/57/370224857.db2.gz GKEDITJELVJDLP-MNOVXSKESA-N 3 2 213.325 -0.212 20 0 BBADLP Cn1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cn1 ZINC000309544301 173138013 /nfs/dbraw/zinc/13/80/13/173138013.db2.gz GNOYKWIQROTVEE-LLVKDONJSA-N 2 2 224.308 -0.424 20 0 BBADLP Cn1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cn1 ZINC000309544301 173138012 /nfs/dbraw/zinc/13/80/12/173138012.db2.gz GNOYKWIQROTVEE-LLVKDONJSA-N 2 2 224.308 -0.424 20 0 BBADLP Cn1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cn1 ZINC000309544302 173166018 /nfs/dbraw/zinc/16/60/18/173166018.db2.gz GNOYKWIQROTVEE-NSHDSACASA-N 2 2 224.308 -0.424 20 0 BBADLP Cn1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cn1 ZINC000309544302 173166015 /nfs/dbraw/zinc/16/60/15/173166015.db2.gz GNOYKWIQROTVEE-NSHDSACASA-N 2 2 224.308 -0.424 20 0 BBADLP Cn1c[nH+]cc1C[NH2+]CC(=O)NCC(F)F ZINC000309545740 385678893 /nfs/dbraw/zinc/67/88/93/385678893.db2.gz ZTHRCWRMJTUUDJ-UHFFFAOYSA-N 2 2 232.234 -0.109 20 0 BBADLP C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000309548523 173346705 /nfs/dbraw/zinc/34/67/05/173346705.db2.gz CQJJSEITPGQUEY-BDAKNGLRSA-N 2 2 215.297 -0.830 20 0 BBADLP C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000309548523 173346704 /nfs/dbraw/zinc/34/67/04/173346704.db2.gz CQJJSEITPGQUEY-BDAKNGLRSA-N 2 2 215.297 -0.830 20 0 BBADLP C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000309548524 173347089 /nfs/dbraw/zinc/34/70/89/173347089.db2.gz CQJJSEITPGQUEY-RKDXNWHRSA-N 2 2 215.297 -0.830 20 0 BBADLP C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000309548524 173347088 /nfs/dbraw/zinc/34/70/88/173347088.db2.gz CQJJSEITPGQUEY-RKDXNWHRSA-N 2 2 215.297 -0.830 20 0 BBADLP [NH3+][C@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000309550421 181650952 /nfs/dbraw/zinc/65/09/52/181650952.db2.gz JYDYWGYGNMQFSB-BQBZGAKWSA-N 2 2 219.235 -0.457 20 0 BBADLP [NH3+][C@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000309550422 385112002 /nfs/dbraw/zinc/11/20/02/385112002.db2.gz JYDYWGYGNMQFSB-NKWVEPMBSA-N 2 2 219.235 -0.457 20 0 BBADLP C[NH+]1CCC(O)(C[NH2+]Cc2ccn[nH]2)CC1 ZINC000309598651 385728373 /nfs/dbraw/zinc/72/83/73/385728373.db2.gz WZULUJSIBDRACF-UHFFFAOYSA-N 2 2 224.308 -0.044 20 0 BBADLP [NH3+][C@@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000309600569 384039081 /nfs/dbraw/zinc/03/90/81/384039081.db2.gz JYDYWGYGNMQFSB-RNFRBKRXSA-N 2 2 219.235 -0.457 20 0 BBADLP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000309600573 397865523 /nfs/dbraw/zinc/86/55/23/397865523.db2.gz JYDYWGYGNMQFSB-RQJHMYQMSA-N 2 2 219.235 -0.457 20 0 BBADLP Nc1ccc(NC(=O)COCC[NH3+])c[nH+]1 ZINC000309609009 490359707 /nfs/dbraw/zinc/35/97/07/490359707.db2.gz MEERHVSUZZNKOC-UHFFFAOYSA-N 2 2 210.237 -0.422 20 0 BBADLP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000309615019 182336271 /nfs/dbraw/zinc/33/62/71/182336271.db2.gz DOMTXAFMWLEAKK-BQBZGAKWSA-N 2 2 219.235 -0.538 20 0 BBADLP O=C(N[C@H]1CC[NH2+]C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000309615020 182336319 /nfs/dbraw/zinc/33/63/19/182336319.db2.gz DOMTXAFMWLEAKK-NKWVEPMBSA-N 2 2 219.235 -0.538 20 0 BBADLP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000309615022 182303616 /nfs/dbraw/zinc/30/36/16/182303616.db2.gz DOMTXAFMWLEAKK-RNFRBKRXSA-N 2 2 219.235 -0.538 20 0 BBADLP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000309615023 182303862 /nfs/dbraw/zinc/30/38/62/182303862.db2.gz DOMTXAFMWLEAKK-RQJHMYQMSA-N 2 2 219.235 -0.538 20 0 BBADLP C[NH2+]CCN(C)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000309637818 385761483 /nfs/dbraw/zinc/76/14/83/385761483.db2.gz NKGZBDUHRAIPQE-SSDOTTSWSA-N 2 2 221.251 -0.339 20 0 BBADLP C[NH2+]CCN(C)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000309637820 173352349 /nfs/dbraw/zinc/35/23/49/173352349.db2.gz NKGZBDUHRAIPQE-ZETCQYMHSA-N 2 2 221.251 -0.339 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H](O)[C@H]1CCOC1 ZINC000309750726 176273242 /nfs/dbraw/zinc/27/32/42/176273242.db2.gz GPJPBRLUTUBOMX-NOOOWODRSA-N 2 2 228.336 -0.077 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H](O)[C@H]1CCOC1 ZINC000309750726 176273241 /nfs/dbraw/zinc/27/32/41/176273241.db2.gz GPJPBRLUTUBOMX-NOOOWODRSA-N 2 2 228.336 -0.077 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H](O)[C@H]1CCOC1 ZINC000309750728 176273543 /nfs/dbraw/zinc/27/35/43/176273543.db2.gz GPJPBRLUTUBOMX-RHYQMDGZSA-N 2 2 228.336 -0.077 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H](O)[C@H]1CCOC1 ZINC000309750728 176273541 /nfs/dbraw/zinc/27/35/41/176273541.db2.gz GPJPBRLUTUBOMX-RHYQMDGZSA-N 2 2 228.336 -0.077 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H](O)[C@@H]1CCOC1 ZINC000309750730 176273310 /nfs/dbraw/zinc/27/33/10/176273310.db2.gz GPJPBRLUTUBOMX-WISYIIOYSA-N 2 2 228.336 -0.077 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H](O)[C@@H]1CCOC1 ZINC000309750730 176273309 /nfs/dbraw/zinc/27/33/09/176273309.db2.gz GPJPBRLUTUBOMX-WISYIIOYSA-N 2 2 228.336 -0.077 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H](O)[C@@H]1CCOC1 ZINC000309750732 176273424 /nfs/dbraw/zinc/27/34/24/176273424.db2.gz GPJPBRLUTUBOMX-WYUUTHIRSA-N 2 2 228.336 -0.077 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H](O)[C@@H]1CCOC1 ZINC000309750732 176273422 /nfs/dbraw/zinc/27/34/22/176273422.db2.gz GPJPBRLUTUBOMX-WYUUTHIRSA-N 2 2 228.336 -0.077 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1ncn(C)n1 ZINC000309764674 176277069 /nfs/dbraw/zinc/27/70/69/176277069.db2.gz JIJACVFHKJYKPE-NXEZZACHSA-N 2 2 223.324 -0.103 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1ncn(C)n1 ZINC000309764674 176277068 /nfs/dbraw/zinc/27/70/68/176277068.db2.gz JIJACVFHKJYKPE-NXEZZACHSA-N 2 2 223.324 -0.103 20 0 BBADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1ncn(C)n1 ZINC000309764679 177235975 /nfs/dbraw/zinc/23/59/75/177235975.db2.gz JIJACVFHKJYKPE-UWVGGRQHSA-N 2 2 223.324 -0.103 20 0 BBADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1ncn(C)n1 ZINC000309764679 177235973 /nfs/dbraw/zinc/23/59/73/177235973.db2.gz JIJACVFHKJYKPE-UWVGGRQHSA-N 2 2 223.324 -0.103 20 0 BBADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1ncn(C)n1 ZINC000309764683 177237760 /nfs/dbraw/zinc/23/77/60/177237760.db2.gz JIJACVFHKJYKPE-VHSXEESVSA-N 2 2 223.324 -0.103 20 0 BBADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1ncn(C)n1 ZINC000309764683 177237758 /nfs/dbraw/zinc/23/77/58/177237758.db2.gz JIJACVFHKJYKPE-VHSXEESVSA-N 2 2 223.324 -0.103 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1ncn(C)n1 ZINC000309764686 176273325 /nfs/dbraw/zinc/27/33/25/176273325.db2.gz JIJACVFHKJYKPE-ZJUUUORDSA-N 2 2 223.324 -0.103 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1ncn(C)n1 ZINC000309764686 176273324 /nfs/dbraw/zinc/27/33/24/176273324.db2.gz JIJACVFHKJYKPE-ZJUUUORDSA-N 2 2 223.324 -0.103 20 0 BBADLP COCC[NH+]1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC000309891804 174305779 /nfs/dbraw/zinc/30/57/79/174305779.db2.gz CWXKOQBWPNRDKH-SECBINFHSA-N 2 2 229.324 -0.439 20 0 BBADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC000309891805 174305789 /nfs/dbraw/zinc/30/57/89/174305789.db2.gz CWXKOQBWPNRDKH-VIFPVBQESA-N 2 2 229.324 -0.439 20 0 BBADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2(CO)COC2)C1 ZINC000309902350 170032248 /nfs/dbraw/zinc/03/22/48/170032248.db2.gz IKASXPIGGIUOPN-GHMZBOCLSA-N 2 2 228.336 -0.075 20 0 BBADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2(CO)COC2)C1 ZINC000309902350 170032247 /nfs/dbraw/zinc/03/22/47/170032247.db2.gz IKASXPIGGIUOPN-GHMZBOCLSA-N 2 2 228.336 -0.075 20 0 BBADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(CO)COC2)C1 ZINC000309902351 170030892 /nfs/dbraw/zinc/03/08/92/170030892.db2.gz IKASXPIGGIUOPN-MNOVXSKESA-N 2 2 228.336 -0.075 20 0 BBADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(CO)COC2)C1 ZINC000309902351 170030891 /nfs/dbraw/zinc/03/08/91/170030891.db2.gz IKASXPIGGIUOPN-MNOVXSKESA-N 2 2 228.336 -0.075 20 0 BBADLP CC[N@@H+]1C[C@H]([NH2+]CC2(CO)COC2)[C@@H](C)C1 ZINC000309902353 170035769 /nfs/dbraw/zinc/03/57/69/170035769.db2.gz IKASXPIGGIUOPN-QWRGUYRKSA-N 2 2 228.336 -0.075 20 0 BBADLP CC[N@H+]1C[C@H]([NH2+]CC2(CO)COC2)[C@@H](C)C1 ZINC000309902353 170035767 /nfs/dbraw/zinc/03/57/67/170035767.db2.gz IKASXPIGGIUOPN-QWRGUYRKSA-N 2 2 228.336 -0.075 20 0 BBADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2(CO)COC2)C1 ZINC000309902355 170037635 /nfs/dbraw/zinc/03/76/35/170037635.db2.gz IKASXPIGGIUOPN-WDEREUQCSA-N 2 2 228.336 -0.075 20 0 BBADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2(CO)COC2)C1 ZINC000309902355 170037634 /nfs/dbraw/zinc/03/76/34/170037634.db2.gz IKASXPIGGIUOPN-WDEREUQCSA-N 2 2 228.336 -0.075 20 0 BBADLP Cc1cn[nH]c1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000309985601 384765936 /nfs/dbraw/zinc/76/59/36/384765936.db2.gz YCKNVRYTRDGYNM-LLVKDONJSA-N 2 2 224.308 -0.126 20 0 BBADLP Cc1cn[nH]c1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000309985601 384765930 /nfs/dbraw/zinc/76/59/30/384765930.db2.gz YCKNVRYTRDGYNM-LLVKDONJSA-N 2 2 224.308 -0.126 20 0 BBADLP Cc1cn[nH]c1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000309985602 384764726 /nfs/dbraw/zinc/76/47/26/384764726.db2.gz YCKNVRYTRDGYNM-NSHDSACASA-N 2 2 224.308 -0.126 20 0 BBADLP Cc1cn[nH]c1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000309985602 384764722 /nfs/dbraw/zinc/76/47/22/384764722.db2.gz YCKNVRYTRDGYNM-NSHDSACASA-N 2 2 224.308 -0.126 20 0 BBADLP COCCCNC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000310088864 384827829 /nfs/dbraw/zinc/82/78/29/384827829.db2.gz PQAMRLZFOUHXAY-GFCCVEGCSA-N 2 2 243.351 -0.190 20 0 BBADLP COCCCNC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000310088864 384827822 /nfs/dbraw/zinc/82/78/22/384827822.db2.gz PQAMRLZFOUHXAY-GFCCVEGCSA-N 2 2 243.351 -0.190 20 0 BBADLP COCCCNC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000310088866 259344294 /nfs/dbraw/zinc/34/42/94/259344294.db2.gz PQAMRLZFOUHXAY-LBPRGKRZSA-N 2 2 243.351 -0.190 20 0 BBADLP COCCCNC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000310088866 259344291 /nfs/dbraw/zinc/34/42/91/259344291.db2.gz PQAMRLZFOUHXAY-LBPRGKRZSA-N 2 2 243.351 -0.190 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1COCCO1)C1CC1 ZINC000310254036 343404635 /nfs/dbraw/zinc/40/46/35/343404635.db2.gz KVVDENOUDBFZOI-NEPJUHHUSA-N 2 2 244.335 -0.554 20 0 BBADLP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1COCCO1)C1CC1 ZINC000310254036 343404628 /nfs/dbraw/zinc/40/46/28/343404628.db2.gz KVVDENOUDBFZOI-NEPJUHHUSA-N 2 2 244.335 -0.554 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1COCCO1)C1CC1 ZINC000310254037 343404773 /nfs/dbraw/zinc/40/47/73/343404773.db2.gz KVVDENOUDBFZOI-NWDGAFQWSA-N 2 2 244.335 -0.554 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1COCCO1)C1CC1 ZINC000310254037 343404772 /nfs/dbraw/zinc/40/47/72/343404772.db2.gz KVVDENOUDBFZOI-NWDGAFQWSA-N 2 2 244.335 -0.554 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1COCCO1)C1CC1 ZINC000310254038 343404737 /nfs/dbraw/zinc/40/47/37/343404737.db2.gz KVVDENOUDBFZOI-RYUDHWBXSA-N 2 2 244.335 -0.554 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1COCCO1)C1CC1 ZINC000310254038 343404734 /nfs/dbraw/zinc/40/47/34/343404734.db2.gz KVVDENOUDBFZOI-RYUDHWBXSA-N 2 2 244.335 -0.554 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1COCCO1)C1CC1 ZINC000310254039 343404752 /nfs/dbraw/zinc/40/47/52/343404752.db2.gz KVVDENOUDBFZOI-VXGBXAGGSA-N 2 2 244.335 -0.554 20 0 BBADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1COCCO1)C1CC1 ZINC000310254039 343404749 /nfs/dbraw/zinc/40/47/49/343404749.db2.gz KVVDENOUDBFZOI-VXGBXAGGSA-N 2 2 244.335 -0.554 20 0 BBADLP CN1CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1=O ZINC000310272672 343408925 /nfs/dbraw/zinc/40/89/25/343408925.db2.gz NSVTWDVGKZVSQM-GHMZBOCLSA-N 2 2 241.335 -0.738 20 0 BBADLP CN1CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1=O ZINC000310272672 343408924 /nfs/dbraw/zinc/40/89/24/343408924.db2.gz NSVTWDVGKZVSQM-GHMZBOCLSA-N 2 2 241.335 -0.738 20 0 BBADLP CN1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1=O ZINC000310272673 343408859 /nfs/dbraw/zinc/40/88/59/343408859.db2.gz NSVTWDVGKZVSQM-MNOVXSKESA-N 2 2 241.335 -0.738 20 0 BBADLP CN1CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1=O ZINC000310272673 343408857 /nfs/dbraw/zinc/40/88/57/343408857.db2.gz NSVTWDVGKZVSQM-MNOVXSKESA-N 2 2 241.335 -0.738 20 0 BBADLP CN1CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1=O ZINC000310272674 343408971 /nfs/dbraw/zinc/40/89/71/343408971.db2.gz NSVTWDVGKZVSQM-QWRGUYRKSA-N 2 2 241.335 -0.738 20 0 BBADLP CN1CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1=O ZINC000310272674 343408969 /nfs/dbraw/zinc/40/89/69/343408969.db2.gz NSVTWDVGKZVSQM-QWRGUYRKSA-N 2 2 241.335 -0.738 20 0 BBADLP CN1CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1=O ZINC000310272675 343408819 /nfs/dbraw/zinc/40/88/19/343408819.db2.gz NSVTWDVGKZVSQM-WDEREUQCSA-N 2 2 241.335 -0.738 20 0 BBADLP CN1CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1=O ZINC000310272675 343408817 /nfs/dbraw/zinc/40/88/17/343408817.db2.gz NSVTWDVGKZVSQM-WDEREUQCSA-N 2 2 241.335 -0.738 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](O)C1 ZINC000310327563 347265704 /nfs/dbraw/zinc/26/57/04/347265704.db2.gz AYLXJLPWJYXUJE-NWDGAFQWSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](O)C1 ZINC000310327563 347265701 /nfs/dbraw/zinc/26/57/01/347265701.db2.gz AYLXJLPWJYXUJE-NWDGAFQWSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](O)C1 ZINC000310327563 347265697 /nfs/dbraw/zinc/26/56/97/347265697.db2.gz AYLXJLPWJYXUJE-NWDGAFQWSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](O)C1 ZINC000310327563 347265693 /nfs/dbraw/zinc/26/56/93/347265693.db2.gz AYLXJLPWJYXUJE-NWDGAFQWSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](O)C1 ZINC000310327566 347265226 /nfs/dbraw/zinc/26/52/26/347265226.db2.gz AYLXJLPWJYXUJE-RYUDHWBXSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](O)C1 ZINC000310327566 347265224 /nfs/dbraw/zinc/26/52/24/347265224.db2.gz AYLXJLPWJYXUJE-RYUDHWBXSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](O)C1 ZINC000310327566 347265221 /nfs/dbraw/zinc/26/52/21/347265221.db2.gz AYLXJLPWJYXUJE-RYUDHWBXSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](O)C1 ZINC000310327566 347265220 /nfs/dbraw/zinc/26/52/20/347265220.db2.gz AYLXJLPWJYXUJE-RYUDHWBXSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](C)(O)C1 ZINC000310347561 370336340 /nfs/dbraw/zinc/33/63/40/370336340.db2.gz GJIMTDHGQRYAAR-NEPJUHHUSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](C)(O)C1 ZINC000310347561 370336338 /nfs/dbraw/zinc/33/63/38/370336338.db2.gz GJIMTDHGQRYAAR-NEPJUHHUSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(O)C1 ZINC000310347561 370336334 /nfs/dbraw/zinc/33/63/34/370336334.db2.gz GJIMTDHGQRYAAR-NEPJUHHUSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(O)C1 ZINC000310347561 370336333 /nfs/dbraw/zinc/33/63/33/370336333.db2.gz GJIMTDHGQRYAAR-NEPJUHHUSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](C)(O)C1 ZINC000310347562 370335999 /nfs/dbraw/zinc/33/59/99/370335999.db2.gz GJIMTDHGQRYAAR-NWDGAFQWSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](C)(O)C1 ZINC000310347562 370335995 /nfs/dbraw/zinc/33/59/95/370335995.db2.gz GJIMTDHGQRYAAR-NWDGAFQWSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(O)C1 ZINC000310347562 370335990 /nfs/dbraw/zinc/33/59/90/370335990.db2.gz GJIMTDHGQRYAAR-NWDGAFQWSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(O)C1 ZINC000310347562 370335985 /nfs/dbraw/zinc/33/59/85/370335985.db2.gz GJIMTDHGQRYAAR-NWDGAFQWSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@](C)(O)C1 ZINC000310347563 370335871 /nfs/dbraw/zinc/33/58/71/370335871.db2.gz GJIMTDHGQRYAAR-RYUDHWBXSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](C)(O)C1 ZINC000310347563 370335866 /nfs/dbraw/zinc/33/58/66/370335866.db2.gz GJIMTDHGQRYAAR-RYUDHWBXSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(O)C1 ZINC000310347563 370335863 /nfs/dbraw/zinc/33/58/63/370335863.db2.gz GJIMTDHGQRYAAR-RYUDHWBXSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(O)C1 ZINC000310347563 370335857 /nfs/dbraw/zinc/33/58/57/370335857.db2.gz GJIMTDHGQRYAAR-RYUDHWBXSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](C)(O)C1 ZINC000310347564 370335656 /nfs/dbraw/zinc/33/56/56/370335656.db2.gz GJIMTDHGQRYAAR-VXGBXAGGSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](C)(O)C1 ZINC000310347564 370335650 /nfs/dbraw/zinc/33/56/50/370335650.db2.gz GJIMTDHGQRYAAR-VXGBXAGGSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(O)C1 ZINC000310347564 370335645 /nfs/dbraw/zinc/33/56/45/370335645.db2.gz GJIMTDHGQRYAAR-VXGBXAGGSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(O)C1 ZINC000310347564 370335639 /nfs/dbraw/zinc/33/56/39/370335639.db2.gz GJIMTDHGQRYAAR-VXGBXAGGSA-N 2 2 246.351 -0.618 20 0 BBADLP C[NH+](C)C[C@](C)(O)CNC(=O)Cn1cc[nH+]c1 ZINC000310351215 370337256 /nfs/dbraw/zinc/33/72/56/370337256.db2.gz HFPQROFTQGZKKN-LLVKDONJSA-N 2 2 240.307 -0.688 20 0 BBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)Cn1cc[nH+]c1 ZINC000310351216 370337582 /nfs/dbraw/zinc/33/75/82/370337582.db2.gz HFPQROFTQGZKKN-NSHDSACASA-N 2 2 240.307 -0.688 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H](C)OC ZINC000310353943 370339174 /nfs/dbraw/zinc/33/91/74/370339174.db2.gz HURARVBLVYFEFN-NEPJUHHUSA-N 2 2 248.367 -0.108 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H](C)OC ZINC000310353943 370339170 /nfs/dbraw/zinc/33/91/70/370339170.db2.gz HURARVBLVYFEFN-NEPJUHHUSA-N 2 2 248.367 -0.108 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H](C)OC ZINC000310353943 370339166 /nfs/dbraw/zinc/33/91/66/370339166.db2.gz HURARVBLVYFEFN-NEPJUHHUSA-N 2 2 248.367 -0.108 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H](C)OC ZINC000310353944 370339089 /nfs/dbraw/zinc/33/90/89/370339089.db2.gz HURARVBLVYFEFN-NWDGAFQWSA-N 2 2 248.367 -0.108 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H](C)OC ZINC000310353944 370339087 /nfs/dbraw/zinc/33/90/87/370339087.db2.gz HURARVBLVYFEFN-NWDGAFQWSA-N 2 2 248.367 -0.108 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H](C)OC ZINC000310353944 370339083 /nfs/dbraw/zinc/33/90/83/370339083.db2.gz HURARVBLVYFEFN-NWDGAFQWSA-N 2 2 248.367 -0.108 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H](C)OC ZINC000310353945 370335786 /nfs/dbraw/zinc/33/57/86/370335786.db2.gz HURARVBLVYFEFN-RYUDHWBXSA-N 2 2 248.367 -0.108 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H](C)OC ZINC000310353945 370335778 /nfs/dbraw/zinc/33/57/78/370335778.db2.gz HURARVBLVYFEFN-RYUDHWBXSA-N 2 2 248.367 -0.108 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H](C)OC ZINC000310353945 370335775 /nfs/dbraw/zinc/33/57/75/370335775.db2.gz HURARVBLVYFEFN-RYUDHWBXSA-N 2 2 248.367 -0.108 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H](C)OC ZINC000310353945 370335769 /nfs/dbraw/zinc/33/57/69/370335769.db2.gz HURARVBLVYFEFN-RYUDHWBXSA-N 2 2 248.367 -0.108 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H](C)OC ZINC000310353946 370336236 /nfs/dbraw/zinc/33/62/36/370336236.db2.gz HURARVBLVYFEFN-VXGBXAGGSA-N 2 2 248.367 -0.108 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H](C)OC ZINC000310353946 370336232 /nfs/dbraw/zinc/33/62/32/370336232.db2.gz HURARVBLVYFEFN-VXGBXAGGSA-N 2 2 248.367 -0.108 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H](C)OC ZINC000310353946 370336228 /nfs/dbraw/zinc/33/62/28/370336228.db2.gz HURARVBLVYFEFN-VXGBXAGGSA-N 2 2 248.367 -0.108 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@@H](C)OC ZINC000310353946 370336224 /nfs/dbraw/zinc/33/62/24/370336224.db2.gz HURARVBLVYFEFN-VXGBXAGGSA-N 2 2 248.367 -0.108 20 0 BBADLP C[C@H](O)C[NH+](CCO)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310360792 385007448 /nfs/dbraw/zinc/00/74/48/385007448.db2.gz STWPXZCYGHCUBH-CMPLNLGQSA-N 2 2 246.351 -0.883 20 0 BBADLP C[C@H](O)C[NH+](CCO)C[C@H](O)C[N@H+](C)C1CC1 ZINC000310360792 385007441 /nfs/dbraw/zinc/00/74/41/385007441.db2.gz STWPXZCYGHCUBH-CMPLNLGQSA-N 2 2 246.351 -0.883 20 0 BBADLP C[C@H](O)C[N@@H+](CCO)C[C@H](O)C[NH+](C)C1CC1 ZINC000310360792 385007436 /nfs/dbraw/zinc/00/74/36/385007436.db2.gz STWPXZCYGHCUBH-CMPLNLGQSA-N 2 2 246.351 -0.883 20 0 BBADLP C[C@H](O)C[N@H+](CCO)C[C@H](O)C[NH+](C)C1CC1 ZINC000310360792 385007430 /nfs/dbraw/zinc/00/74/30/385007430.db2.gz STWPXZCYGHCUBH-CMPLNLGQSA-N 2 2 246.351 -0.883 20 0 BBADLP C[C@H](O)C[NH+](CCO)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310360793 385006837 /nfs/dbraw/zinc/00/68/37/385006837.db2.gz STWPXZCYGHCUBH-JQWIXIFHSA-N 2 2 246.351 -0.883 20 0 BBADLP C[C@H](O)C[NH+](CCO)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310360793 385006833 /nfs/dbraw/zinc/00/68/33/385006833.db2.gz STWPXZCYGHCUBH-JQWIXIFHSA-N 2 2 246.351 -0.883 20 0 BBADLP C[C@H](O)C[N@@H+](CCO)C[C@@H](O)C[NH+](C)C1CC1 ZINC000310360793 385006828 /nfs/dbraw/zinc/00/68/28/385006828.db2.gz STWPXZCYGHCUBH-JQWIXIFHSA-N 2 2 246.351 -0.883 20 0 BBADLP C[C@H](O)C[N@H+](CCO)C[C@@H](O)C[NH+](C)C1CC1 ZINC000310360793 385006820 /nfs/dbraw/zinc/00/68/20/385006820.db2.gz STWPXZCYGHCUBH-JQWIXIFHSA-N 2 2 246.351 -0.883 20 0 BBADLP C[C@@H](O)C[NH+](CCO)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310360794 385007851 /nfs/dbraw/zinc/00/78/51/385007851.db2.gz STWPXZCYGHCUBH-PWSUYJOCSA-N 2 2 246.351 -0.883 20 0 BBADLP C[C@@H](O)C[NH+](CCO)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310360794 385007847 /nfs/dbraw/zinc/00/78/47/385007847.db2.gz STWPXZCYGHCUBH-PWSUYJOCSA-N 2 2 246.351 -0.883 20 0 BBADLP C[C@@H](O)C[N@@H+](CCO)C[C@@H](O)C[NH+](C)C1CC1 ZINC000310360794 385007841 /nfs/dbraw/zinc/00/78/41/385007841.db2.gz STWPXZCYGHCUBH-PWSUYJOCSA-N 2 2 246.351 -0.883 20 0 BBADLP C[C@@H](O)C[N@H+](CCO)C[C@@H](O)C[NH+](C)C1CC1 ZINC000310360794 385007835 /nfs/dbraw/zinc/00/78/35/385007835.db2.gz STWPXZCYGHCUBH-PWSUYJOCSA-N 2 2 246.351 -0.883 20 0 BBADLP C[C@@H](O)C[NH+](CCO)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310360795 385007792 /nfs/dbraw/zinc/00/77/92/385007792.db2.gz STWPXZCYGHCUBH-ZYHUDNBSSA-N 2 2 246.351 -0.883 20 0 BBADLP C[C@@H](O)C[NH+](CCO)C[C@H](O)C[N@H+](C)C1CC1 ZINC000310360795 385007784 /nfs/dbraw/zinc/00/77/84/385007784.db2.gz STWPXZCYGHCUBH-ZYHUDNBSSA-N 2 2 246.351 -0.883 20 0 BBADLP C[C@@H](O)C[N@@H+](CCO)C[C@H](O)C[NH+](C)C1CC1 ZINC000310360795 385007777 /nfs/dbraw/zinc/00/77/77/385007777.db2.gz STWPXZCYGHCUBH-ZYHUDNBSSA-N 2 2 246.351 -0.883 20 0 BBADLP C[C@@H](O)C[N@H+](CCO)C[C@H](O)C[NH+](C)C1CC1 ZINC000310360795 385007774 /nfs/dbraw/zinc/00/77/74/385007774.db2.gz STWPXZCYGHCUBH-ZYHUDNBSSA-N 2 2 246.351 -0.883 20 0 BBADLP O=C(Cn1cc[nH+]c1)N1CC[NH+](CCO)CC1 ZINC000310395883 343470524 /nfs/dbraw/zinc/47/05/24/343470524.db2.gz LYZJYKXDNOHEQN-UHFFFAOYSA-N 2 2 238.291 -0.980 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1CO ZINC000310405103 259344343 /nfs/dbraw/zinc/34/43/43/259344343.db2.gz NZNQKZSZQUBOJS-NEPJUHHUSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CO ZINC000310405103 259344341 /nfs/dbraw/zinc/34/43/41/259344341.db2.gz NZNQKZSZQUBOJS-NEPJUHHUSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CO ZINC000310405103 259344339 /nfs/dbraw/zinc/34/43/39/259344339.db2.gz NZNQKZSZQUBOJS-NEPJUHHUSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CO ZINC000310405103 259344337 /nfs/dbraw/zinc/34/43/37/259344337.db2.gz NZNQKZSZQUBOJS-NEPJUHHUSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1CO ZINC000310405104 259344596 /nfs/dbraw/zinc/34/45/96/259344596.db2.gz NZNQKZSZQUBOJS-VXGBXAGGSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CO ZINC000310405104 259344595 /nfs/dbraw/zinc/34/45/95/259344595.db2.gz NZNQKZSZQUBOJS-VXGBXAGGSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CO ZINC000310405104 259344594 /nfs/dbraw/zinc/34/45/94/259344594.db2.gz NZNQKZSZQUBOJS-VXGBXAGGSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CO ZINC000310405104 259344593 /nfs/dbraw/zinc/34/45/93/259344593.db2.gz NZNQKZSZQUBOJS-VXGBXAGGSA-N 2 2 246.351 -0.618 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000310421440 323131597 /nfs/dbraw/zinc/13/15/97/323131597.db2.gz QRFPAAXAPXBBAM-SDDRHHMPSA-N 2 2 246.351 -0.355 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000310421440 323131596 /nfs/dbraw/zinc/13/15/96/323131596.db2.gz QRFPAAXAPXBBAM-SDDRHHMPSA-N 2 2 246.351 -0.355 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000310421440 323131595 /nfs/dbraw/zinc/13/15/95/323131595.db2.gz QRFPAAXAPXBBAM-SDDRHHMPSA-N 2 2 246.351 -0.355 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000310421440 323131594 /nfs/dbraw/zinc/13/15/94/323131594.db2.gz QRFPAAXAPXBBAM-SDDRHHMPSA-N 2 2 246.351 -0.355 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000310421443 323131574 /nfs/dbraw/zinc/13/15/74/323131574.db2.gz QRFPAAXAPXBBAM-UTUOFQBUSA-N 2 2 246.351 -0.355 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000310421443 323131573 /nfs/dbraw/zinc/13/15/73/323131573.db2.gz QRFPAAXAPXBBAM-UTUOFQBUSA-N 2 2 246.351 -0.355 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000310421443 323131572 /nfs/dbraw/zinc/13/15/72/323131572.db2.gz QRFPAAXAPXBBAM-UTUOFQBUSA-N 2 2 246.351 -0.355 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000310421443 323131571 /nfs/dbraw/zinc/13/15/71/323131571.db2.gz QRFPAAXAPXBBAM-UTUOFQBUSA-N 2 2 246.351 -0.355 20 0 BBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](CCO)C[C@@H](C)O ZINC000310451395 488026928 /nfs/dbraw/zinc/02/69/28/488026928.db2.gz YEBBVQMSIVBEEO-NEPJUHHUSA-N 2 2 248.367 -0.637 20 0 BBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](CCO)C[C@@H](C)O ZINC000310451395 488026924 /nfs/dbraw/zinc/02/69/24/488026924.db2.gz YEBBVQMSIVBEEO-NEPJUHHUSA-N 2 2 248.367 -0.637 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](CCO)C[C@@H](C)O ZINC000310451395 488026919 /nfs/dbraw/zinc/02/69/19/488026919.db2.gz YEBBVQMSIVBEEO-NEPJUHHUSA-N 2 2 248.367 -0.637 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](CCO)C[C@@H](C)O ZINC000310451395 488026916 /nfs/dbraw/zinc/02/69/16/488026916.db2.gz YEBBVQMSIVBEEO-NEPJUHHUSA-N 2 2 248.367 -0.637 20 0 BBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](CCO)C[C@H](C)O ZINC000310451397 488027132 /nfs/dbraw/zinc/02/71/32/488027132.db2.gz YEBBVQMSIVBEEO-NWDGAFQWSA-N 2 2 248.367 -0.637 20 0 BBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](CCO)C[C@H](C)O ZINC000310451397 488027128 /nfs/dbraw/zinc/02/71/28/488027128.db2.gz YEBBVQMSIVBEEO-NWDGAFQWSA-N 2 2 248.367 -0.637 20 0 BBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](CCO)C[C@H](C)O ZINC000310451397 488027124 /nfs/dbraw/zinc/02/71/24/488027124.db2.gz YEBBVQMSIVBEEO-NWDGAFQWSA-N 2 2 248.367 -0.637 20 0 BBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](CCO)C[C@H](C)O ZINC000310451397 488027120 /nfs/dbraw/zinc/02/71/20/488027120.db2.gz YEBBVQMSIVBEEO-NWDGAFQWSA-N 2 2 248.367 -0.637 20 0 BBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](CCO)C[C@H](C)O ZINC000310451399 488026508 /nfs/dbraw/zinc/02/65/08/488026508.db2.gz YEBBVQMSIVBEEO-RYUDHWBXSA-N 2 2 248.367 -0.637 20 0 BBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](CCO)C[C@H](C)O ZINC000310451399 488026501 /nfs/dbraw/zinc/02/65/01/488026501.db2.gz YEBBVQMSIVBEEO-RYUDHWBXSA-N 2 2 248.367 -0.637 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](CCO)C[C@H](C)O ZINC000310451399 488026493 /nfs/dbraw/zinc/02/64/93/488026493.db2.gz YEBBVQMSIVBEEO-RYUDHWBXSA-N 2 2 248.367 -0.637 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](CCO)C[C@H](C)O ZINC000310451399 488026489 /nfs/dbraw/zinc/02/64/89/488026489.db2.gz YEBBVQMSIVBEEO-RYUDHWBXSA-N 2 2 248.367 -0.637 20 0 BBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](CCO)C[C@@H](C)O ZINC000310451402 488026875 /nfs/dbraw/zinc/02/68/75/488026875.db2.gz YEBBVQMSIVBEEO-VXGBXAGGSA-N 2 2 248.367 -0.637 20 0 BBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](CCO)C[C@@H](C)O ZINC000310451402 488026869 /nfs/dbraw/zinc/02/68/69/488026869.db2.gz YEBBVQMSIVBEEO-VXGBXAGGSA-N 2 2 248.367 -0.637 20 0 BBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](CCO)C[C@@H](C)O ZINC000310451402 488026863 /nfs/dbraw/zinc/02/68/63/488026863.db2.gz YEBBVQMSIVBEEO-VXGBXAGGSA-N 2 2 248.367 -0.637 20 0 BBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](CCO)C[C@@H](C)O ZINC000310451402 488026859 /nfs/dbraw/zinc/02/68/59/488026859.db2.gz YEBBVQMSIVBEEO-VXGBXAGGSA-N 2 2 248.367 -0.637 20 0 BBADLP CCCN(CCC)C(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000310469149 385079174 /nfs/dbraw/zinc/07/91/74/385079174.db2.gz HUDYQBZNBZOVCP-LLVKDONJSA-N 2 2 245.367 -0.114 20 0 BBADLP CCCN(CCC)C(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000310469149 385079166 /nfs/dbraw/zinc/07/91/66/385079166.db2.gz HUDYQBZNBZOVCP-LLVKDONJSA-N 2 2 245.367 -0.114 20 0 BBADLP CCCN(CCC)C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000310469151 169141826 /nfs/dbraw/zinc/14/18/26/169141826.db2.gz HUDYQBZNBZOVCP-NSHDSACASA-N 2 2 245.367 -0.114 20 0 BBADLP CCCN(CCC)C(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000310469151 169141824 /nfs/dbraw/zinc/14/18/24/169141824.db2.gz HUDYQBZNBZOVCP-NSHDSACASA-N 2 2 245.367 -0.114 20 0 BBADLP O[C@H](C[NH2+]C1COCCOC1)C[NH+]1CCCC1 ZINC000310483618 385086559 /nfs/dbraw/zinc/08/65/59/385086559.db2.gz MGUPYICSBPMQGS-GFCCVEGCSA-N 2 2 244.335 -0.552 20 0 BBADLP O[C@@H](C[NH2+]C1COCCOC1)C[NH+]1CCCC1 ZINC000310483619 386192820 /nfs/dbraw/zinc/19/28/20/386192820.db2.gz MGUPYICSBPMQGS-LBPRGKRZSA-N 2 2 244.335 -0.552 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCOC1 ZINC000310505709 343519164 /nfs/dbraw/zinc/51/91/64/343519164.db2.gz JBSJWMIIDPLAFC-NEPJUHHUSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCOC1 ZINC000310505709 343519162 /nfs/dbraw/zinc/51/91/62/343519162.db2.gz JBSJWMIIDPLAFC-NEPJUHHUSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCOC1 ZINC000310505709 343519160 /nfs/dbraw/zinc/51/91/60/343519160.db2.gz JBSJWMIIDPLAFC-NEPJUHHUSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCOC1 ZINC000310505709 343519156 /nfs/dbraw/zinc/51/91/56/343519156.db2.gz JBSJWMIIDPLAFC-NEPJUHHUSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CCOC1 ZINC000310505714 343519050 /nfs/dbraw/zinc/51/90/50/343519050.db2.gz JBSJWMIIDPLAFC-NWDGAFQWSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CCOC1 ZINC000310505714 343519048 /nfs/dbraw/zinc/51/90/48/343519048.db2.gz JBSJWMIIDPLAFC-NWDGAFQWSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCOC1 ZINC000310505714 343519046 /nfs/dbraw/zinc/51/90/46/343519046.db2.gz JBSJWMIIDPLAFC-NWDGAFQWSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCOC1 ZINC000310505714 343519044 /nfs/dbraw/zinc/51/90/44/343519044.db2.gz JBSJWMIIDPLAFC-NWDGAFQWSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCOC1 ZINC000310505716 343519011 /nfs/dbraw/zinc/51/90/11/343519011.db2.gz JBSJWMIIDPLAFC-RYUDHWBXSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCOC1 ZINC000310505716 343519009 /nfs/dbraw/zinc/51/90/09/343519009.db2.gz JBSJWMIIDPLAFC-RYUDHWBXSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCOC1 ZINC000310505716 343519007 /nfs/dbraw/zinc/51/90/07/343519007.db2.gz JBSJWMIIDPLAFC-RYUDHWBXSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCOC1 ZINC000310505716 343519005 /nfs/dbraw/zinc/51/90/05/343519005.db2.gz JBSJWMIIDPLAFC-RYUDHWBXSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCOC1 ZINC000310505718 343518941 /nfs/dbraw/zinc/51/89/41/343518941.db2.gz JBSJWMIIDPLAFC-VXGBXAGGSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CCOC1 ZINC000310505718 343518939 /nfs/dbraw/zinc/51/89/39/343518939.db2.gz JBSJWMIIDPLAFC-VXGBXAGGSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCOC1 ZINC000310505718 343518936 /nfs/dbraw/zinc/51/89/36/343518936.db2.gz JBSJWMIIDPLAFC-VXGBXAGGSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCOC1 ZINC000310505718 343518934 /nfs/dbraw/zinc/51/89/34/343518934.db2.gz JBSJWMIIDPLAFC-VXGBXAGGSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CC[C@@H](C)O ZINC000310511264 323133115 /nfs/dbraw/zinc/13/31/15/323133115.db2.gz KGJURLLPOHDIQH-NEPJUHHUSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CC[C@@H](C)O ZINC000310511264 323133114 /nfs/dbraw/zinc/13/31/14/323133114.db2.gz KGJURLLPOHDIQH-NEPJUHHUSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CC[C@@H](C)O ZINC000310511264 323133113 /nfs/dbraw/zinc/13/31/13/323133113.db2.gz KGJURLLPOHDIQH-NEPJUHHUSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CC[C@@H](C)O ZINC000310511264 323133112 /nfs/dbraw/zinc/13/31/12/323133112.db2.gz KGJURLLPOHDIQH-NEPJUHHUSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CC[C@H](C)O ZINC000310511275 323133085 /nfs/dbraw/zinc/13/30/85/323133085.db2.gz KGJURLLPOHDIQH-NWDGAFQWSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CC[C@H](C)O ZINC000310511275 323133084 /nfs/dbraw/zinc/13/30/84/323133084.db2.gz KGJURLLPOHDIQH-NWDGAFQWSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CC[C@H](C)O ZINC000310511275 323133083 /nfs/dbraw/zinc/13/30/83/323133083.db2.gz KGJURLLPOHDIQH-NWDGAFQWSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CC[C@H](C)O ZINC000310511275 323133082 /nfs/dbraw/zinc/13/30/82/323133082.db2.gz KGJURLLPOHDIQH-NWDGAFQWSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CC[C@H](C)O ZINC000310511285 323133065 /nfs/dbraw/zinc/13/30/65/323133065.db2.gz KGJURLLPOHDIQH-RYUDHWBXSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CC[C@H](C)O ZINC000310511285 323133064 /nfs/dbraw/zinc/13/30/64/323133064.db2.gz KGJURLLPOHDIQH-RYUDHWBXSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CC[C@H](C)O ZINC000310511285 323133063 /nfs/dbraw/zinc/13/30/63/323133063.db2.gz KGJURLLPOHDIQH-RYUDHWBXSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CC[C@H](C)O ZINC000310511285 323133062 /nfs/dbraw/zinc/13/30/62/323133062.db2.gz KGJURLLPOHDIQH-RYUDHWBXSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CC[C@@H](C)O ZINC000310511295 323133137 /nfs/dbraw/zinc/13/31/37/323133137.db2.gz KGJURLLPOHDIQH-VXGBXAGGSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CC[C@@H](C)O ZINC000310511295 323133136 /nfs/dbraw/zinc/13/31/36/323133136.db2.gz KGJURLLPOHDIQH-VXGBXAGGSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CC[C@@H](C)O ZINC000310511295 323133135 /nfs/dbraw/zinc/13/31/35/323133135.db2.gz KGJURLLPOHDIQH-VXGBXAGGSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CC[C@@H](C)O ZINC000310511295 323133134 /nfs/dbraw/zinc/13/31/34/323133134.db2.gz KGJURLLPOHDIQH-VXGBXAGGSA-N 2 2 248.367 -0.372 20 0 BBADLP COC[C@@]1(C(=O)NCc2[nH]cc[nH+]2)CC[NH2+]C1 ZINC000310517279 259383831 /nfs/dbraw/zinc/38/38/31/259383831.db2.gz SCDPBWHVZBMALD-LLVKDONJSA-N 2 2 238.291 -0.348 20 0 BBADLP COC[C@]1(C(=O)NCc2[nH]cc[nH+]2)CC[NH2+]C1 ZINC000310517280 259344666 /nfs/dbraw/zinc/34/46/66/259344666.db2.gz SCDPBWHVZBMALD-NSHDSACASA-N 2 2 238.291 -0.348 20 0 BBADLP COCC[NH+](CCO)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310522844 174294018 /nfs/dbraw/zinc/29/40/18/174294018.db2.gz UWVHOZODQLXKPD-GFCCVEGCSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[NH+](CCO)C[C@H](O)C[N@H+](C)C1CC1 ZINC000310522844 174294017 /nfs/dbraw/zinc/29/40/17/174294017.db2.gz UWVHOZODQLXKPD-GFCCVEGCSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@@H+](CCO)C[C@H](O)C[NH+](C)C1CC1 ZINC000310522844 174294016 /nfs/dbraw/zinc/29/40/16/174294016.db2.gz UWVHOZODQLXKPD-GFCCVEGCSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@H+](CCO)C[C@H](O)C[NH+](C)C1CC1 ZINC000310522844 174294013 /nfs/dbraw/zinc/29/40/13/174294013.db2.gz UWVHOZODQLXKPD-GFCCVEGCSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[NH+](CCO)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310522845 174294114 /nfs/dbraw/zinc/29/41/14/174294114.db2.gz UWVHOZODQLXKPD-LBPRGKRZSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@@H+](CCO)C[C@@H](O)C[NH+](C)C1CC1 ZINC000310522845 174294112 /nfs/dbraw/zinc/29/41/12/174294112.db2.gz UWVHOZODQLXKPD-LBPRGKRZSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@H+](CCO)C[C@@H](O)C[NH+](C)C1CC1 ZINC000310522845 174294110 /nfs/dbraw/zinc/29/41/10/174294110.db2.gz UWVHOZODQLXKPD-LBPRGKRZSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCOCC1 ZINC000310528026 411240475 /nfs/dbraw/zinc/24/04/75/411240475.db2.gz NLDWUXVGSBVTFL-GFCCVEGCSA-N 2 2 246.351 -0.352 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCOCC1 ZINC000310528026 411240474 /nfs/dbraw/zinc/24/04/74/411240474.db2.gz NLDWUXVGSBVTFL-GFCCVEGCSA-N 2 2 246.351 -0.352 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCOCC1 ZINC000310528026 411240471 /nfs/dbraw/zinc/24/04/71/411240471.db2.gz NLDWUXVGSBVTFL-GFCCVEGCSA-N 2 2 246.351 -0.352 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCOCC1 ZINC000310528026 411240468 /nfs/dbraw/zinc/24/04/68/411240468.db2.gz NLDWUXVGSBVTFL-GFCCVEGCSA-N 2 2 246.351 -0.352 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCOCC1 ZINC000310528027 411241161 /nfs/dbraw/zinc/24/11/61/411241161.db2.gz NLDWUXVGSBVTFL-LBPRGKRZSA-N 2 2 246.351 -0.352 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCOCC1 ZINC000310528027 411241158 /nfs/dbraw/zinc/24/11/58/411241158.db2.gz NLDWUXVGSBVTFL-LBPRGKRZSA-N 2 2 246.351 -0.352 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCOCC1 ZINC000310528027 411241156 /nfs/dbraw/zinc/24/11/56/411241156.db2.gz NLDWUXVGSBVTFL-LBPRGKRZSA-N 2 2 246.351 -0.352 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCOCC1 ZINC000310528027 411241152 /nfs/dbraw/zinc/24/11/52/411241152.db2.gz NLDWUXVGSBVTFL-LBPRGKRZSA-N 2 2 246.351 -0.352 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1CO ZINC000310530844 370350808 /nfs/dbraw/zinc/35/08/08/370350808.db2.gz NZNQKZSZQUBOJS-NWDGAFQWSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1CO ZINC000310530844 370350804 /nfs/dbraw/zinc/35/08/04/370350804.db2.gz NZNQKZSZQUBOJS-NWDGAFQWSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CO ZINC000310530844 370350802 /nfs/dbraw/zinc/35/08/02/370350802.db2.gz NZNQKZSZQUBOJS-NWDGAFQWSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CO ZINC000310530844 370350798 /nfs/dbraw/zinc/35/07/98/370350798.db2.gz NZNQKZSZQUBOJS-NWDGAFQWSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1CO ZINC000310530845 370350272 /nfs/dbraw/zinc/35/02/72/370350272.db2.gz NZNQKZSZQUBOJS-RYUDHWBXSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1CO ZINC000310530845 370350269 /nfs/dbraw/zinc/35/02/69/370350269.db2.gz NZNQKZSZQUBOJS-RYUDHWBXSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CO ZINC000310530845 370350264 /nfs/dbraw/zinc/35/02/64/370350264.db2.gz NZNQKZSZQUBOJS-RYUDHWBXSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CO ZINC000310530845 370350261 /nfs/dbraw/zinc/35/02/61/370350261.db2.gz NZNQKZSZQUBOJS-RYUDHWBXSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(O)CC1 ZINC000310541772 343528589 /nfs/dbraw/zinc/52/85/89/343528589.db2.gz RBOXFEIFUYLNOQ-GFCCVEGCSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(O)CC1 ZINC000310541774 343528423 /nfs/dbraw/zinc/52/84/23/343528423.db2.gz RBOXFEIFUYLNOQ-LBPRGKRZSA-N 2 2 246.351 -0.618 20 0 BBADLP Cn1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000310889633 326205603 /nfs/dbraw/zinc/20/56/03/326205603.db2.gz KFPFWUZVPIIBQN-CYBMUJFWSA-N 2 2 249.362 -0.100 20 0 BBADLP Cn1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)n1 ZINC000310889634 326205218 /nfs/dbraw/zinc/20/52/18/326205218.db2.gz KFPFWUZVPIIBQN-ZDUSSCGKSA-N 2 2 249.362 -0.100 20 0 BBADLP CCNC(=O)C(C)(C)[NH2+]C[C@H](O)C[N@@H+](C)CC ZINC000313055234 370566915 /nfs/dbraw/zinc/56/69/15/370566915.db2.gz DAVCQGCJWSKBFZ-JTQLQIEISA-N 2 2 245.367 -0.197 20 0 BBADLP CCNC(=O)C(C)(C)[NH2+]C[C@H](O)C[N@H+](C)CC ZINC000313055234 370566914 /nfs/dbraw/zinc/56/69/14/370566914.db2.gz DAVCQGCJWSKBFZ-JTQLQIEISA-N 2 2 245.367 -0.197 20 0 BBADLP CCNC(=O)C(C)(C)[NH2+]C[C@@H](O)C[N@@H+](C)CC ZINC000313055235 370566650 /nfs/dbraw/zinc/56/66/50/370566650.db2.gz DAVCQGCJWSKBFZ-SNVBAGLBSA-N 2 2 245.367 -0.197 20 0 BBADLP CCNC(=O)C(C)(C)[NH2+]C[C@@H](O)C[N@H+](C)CC ZINC000313055235 370566647 /nfs/dbraw/zinc/56/66/47/370566647.db2.gz DAVCQGCJWSKBFZ-SNVBAGLBSA-N 2 2 245.367 -0.197 20 0 BBADLP CCOC[C@H](O)C[NH2+]CCc1cn(C)c[nH+]1 ZINC000313266606 370575776 /nfs/dbraw/zinc/57/57/76/370575776.db2.gz RIHDCMVDHWKCQG-LLVKDONJSA-N 2 2 227.308 -0.050 20 0 BBADLP CCOC[C@@H](O)C[NH2+]CCc1cn(C)c[nH+]1 ZINC000313266608 370575380 /nfs/dbraw/zinc/57/53/80/370575380.db2.gz RIHDCMVDHWKCQG-NSHDSACASA-N 2 2 227.308 -0.050 20 0 BBADLP Cn1c[nH+]cc1CN1CCCO[C@H](C[NH3+])C1 ZINC000313352754 344001902 /nfs/dbraw/zinc/00/19/02/344001902.db2.gz LPTJSIJCTNYDSY-LLVKDONJSA-N 2 2 224.308 -0.030 20 0 BBADLP Cn1c[nH+]cc1CN1CCCO[C@@H](C[NH3+])C1 ZINC000313352756 370580992 /nfs/dbraw/zinc/58/09/92/370580992.db2.gz LPTJSIJCTNYDSY-NSHDSACASA-N 2 2 224.308 -0.030 20 0 BBADLP Cn1c[nH+]c(CCNC2=[NH+]CCN2C)c1 ZINC000313463748 711726298 /nfs/dbraw/zinc/72/62/98/711726298.db2.gz PPKKOPZFNLAXQX-UHFFFAOYSA-N 2 2 207.281 -0.146 20 0 BBADLP C[C@@H]1C[NH+]=C(NCCc2cn(C)c[nH+]2)N1 ZINC000313470555 634462143 /nfs/dbraw/zinc/46/21/43/634462143.db2.gz XQHGHXWYQMCSEB-MRVPVSSYSA-N 2 2 207.281 -0.100 20 0 BBADLP C[C@H]1C[NH+]=C(NCCc2cn(C)c[nH+]2)N1 ZINC000313470560 634461404 /nfs/dbraw/zinc/46/14/04/634461404.db2.gz XQHGHXWYQMCSEB-QMMMGPOBSA-N 2 2 207.281 -0.100 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000313624958 583176079 /nfs/dbraw/zinc/17/60/79/583176079.db2.gz KAMAVJVKJSUTGE-NEPJUHHUSA-N 2 2 246.351 -0.882 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000313624958 583176076 /nfs/dbraw/zinc/17/60/76/583176076.db2.gz KAMAVJVKJSUTGE-NEPJUHHUSA-N 2 2 246.351 -0.882 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](O)(CO)C1 ZINC000313624958 583176072 /nfs/dbraw/zinc/17/60/72/583176072.db2.gz KAMAVJVKJSUTGE-NEPJUHHUSA-N 2 2 246.351 -0.882 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](O)(CO)C1 ZINC000313624958 583176070 /nfs/dbraw/zinc/17/60/70/583176070.db2.gz KAMAVJVKJSUTGE-NEPJUHHUSA-N 2 2 246.351 -0.882 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@](O)(CO)C1 ZINC000313624959 344504956 /nfs/dbraw/zinc/50/49/56/344504956.db2.gz KAMAVJVKJSUTGE-NWDGAFQWSA-N 2 2 246.351 -0.882 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000313624959 344504954 /nfs/dbraw/zinc/50/49/54/344504954.db2.gz KAMAVJVKJSUTGE-NWDGAFQWSA-N 2 2 246.351 -0.882 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@](O)(CO)C1 ZINC000313624959 344504952 /nfs/dbraw/zinc/50/49/52/344504952.db2.gz KAMAVJVKJSUTGE-NWDGAFQWSA-N 2 2 246.351 -0.882 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@](O)(CO)C1 ZINC000313624959 344504951 /nfs/dbraw/zinc/50/49/51/344504951.db2.gz KAMAVJVKJSUTGE-NWDGAFQWSA-N 2 2 246.351 -0.882 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000313624961 491092318 /nfs/dbraw/zinc/09/23/18/491092318.db2.gz KAMAVJVKJSUTGE-RYUDHWBXSA-N 2 2 246.351 -0.882 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000313624961 491092317 /nfs/dbraw/zinc/09/23/17/491092317.db2.gz KAMAVJVKJSUTGE-RYUDHWBXSA-N 2 2 246.351 -0.882 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@](O)(CO)C1 ZINC000313624961 491092316 /nfs/dbraw/zinc/09/23/16/491092316.db2.gz KAMAVJVKJSUTGE-RYUDHWBXSA-N 2 2 246.351 -0.882 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@](O)(CO)C1 ZINC000313624961 491092315 /nfs/dbraw/zinc/09/23/15/491092315.db2.gz KAMAVJVKJSUTGE-RYUDHWBXSA-N 2 2 246.351 -0.882 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@](O)(CO)C1 ZINC000313624962 344505068 /nfs/dbraw/zinc/50/50/68/344505068.db2.gz KAMAVJVKJSUTGE-VXGBXAGGSA-N 2 2 246.351 -0.882 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000313624962 344505067 /nfs/dbraw/zinc/50/50/67/344505067.db2.gz KAMAVJVKJSUTGE-VXGBXAGGSA-N 2 2 246.351 -0.882 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@](O)(CO)C1 ZINC000313624962 344505066 /nfs/dbraw/zinc/50/50/66/344505066.db2.gz KAMAVJVKJSUTGE-VXGBXAGGSA-N 2 2 246.351 -0.882 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@](O)(CO)C1 ZINC000313624962 344505065 /nfs/dbraw/zinc/50/50/65/344505065.db2.gz KAMAVJVKJSUTGE-VXGBXAGGSA-N 2 2 246.351 -0.882 20 0 BBADLP [NH3+]C1CC[NH+](CCNS(=O)(=O)C2CC2)CC1 ZINC000321249426 541491449 /nfs/dbraw/zinc/49/14/49/541491449.db2.gz ZDHCBPFITYVQFG-UHFFFAOYSA-N 2 2 247.364 -0.509 20 0 BBADLP COCC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000321367626 538868894 /nfs/dbraw/zinc/86/88/94/538868894.db2.gz OLOWVJWHDLTUFN-UHFFFAOYSA-N 2 2 215.297 -0.828 20 0 BBADLP COC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000322067977 636793941 /nfs/dbraw/zinc/79/39/41/636793941.db2.gz DGPXGUUFMIOPPM-UHFFFAOYSA-N 2 2 201.270 -0.235 20 0 BBADLP CCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000322164812 541377919 /nfs/dbraw/zinc/37/79/19/541377919.db2.gz KNIHUDBGDNZVBA-UHFFFAOYSA-N 2 2 214.313 -0.271 20 0 BBADLP CN(C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000322235457 636820479 /nfs/dbraw/zinc/82/04/79/636820479.db2.gz MXHJAGSWSUPYOJ-UHFFFAOYSA-N 2 2 214.313 -0.319 20 0 BBADLP CNC(=O)C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CCOC)C1 ZINC000323030634 173281200 /nfs/dbraw/zinc/28/12/00/173281200.db2.gz MDZCBRKSDORWRA-GHMZBOCLSA-N 2 2 243.351 -0.179 20 0 BBADLP CNC(=O)C[C@@H](C)[NH2+][C@@H]1CC[N@H+](CCOC)C1 ZINC000323030634 173281199 /nfs/dbraw/zinc/28/11/99/173281199.db2.gz MDZCBRKSDORWRA-GHMZBOCLSA-N 2 2 243.351 -0.179 20 0 BBADLP CNC(=O)C[C@@H](C)[NH2+][C@H]1CC[N@@H+](CCOC)C1 ZINC000323030635 173280953 /nfs/dbraw/zinc/28/09/53/173280953.db2.gz MDZCBRKSDORWRA-MNOVXSKESA-N 2 2 243.351 -0.179 20 0 BBADLP CNC(=O)C[C@@H](C)[NH2+][C@H]1CC[N@H+](CCOC)C1 ZINC000323030635 173280952 /nfs/dbraw/zinc/28/09/52/173280952.db2.gz MDZCBRKSDORWRA-MNOVXSKESA-N 2 2 243.351 -0.179 20 0 BBADLP CNC(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](CCOC)C1 ZINC000323030636 173283326 /nfs/dbraw/zinc/28/33/26/173283326.db2.gz MDZCBRKSDORWRA-QWRGUYRKSA-N 2 2 243.351 -0.179 20 0 BBADLP CNC(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](CCOC)C1 ZINC000323030636 173283325 /nfs/dbraw/zinc/28/33/25/173283325.db2.gz MDZCBRKSDORWRA-QWRGUYRKSA-N 2 2 243.351 -0.179 20 0 BBADLP CNC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](CCOC)C1 ZINC000323030637 173282637 /nfs/dbraw/zinc/28/26/37/173282637.db2.gz MDZCBRKSDORWRA-WDEREUQCSA-N 2 2 243.351 -0.179 20 0 BBADLP CNC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](CCOC)C1 ZINC000323030637 173282636 /nfs/dbraw/zinc/28/26/36/173282636.db2.gz MDZCBRKSDORWRA-WDEREUQCSA-N 2 2 243.351 -0.179 20 0 BBADLP O[C@@H]1COC[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000323169238 636904332 /nfs/dbraw/zinc/90/43/32/636904332.db2.gz LZSYWBKVYGMDFF-CKIWUXSYSA-N 2 2 224.304 -0.668 20 0 BBADLP O[C@@H]1COC[C@H]1[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000323169239 632014036 /nfs/dbraw/zinc/01/40/36/632014036.db2.gz LZSYWBKVYGMDFF-CZZCGMKLSA-N 2 2 224.304 -0.668 20 0 BBADLP O[C@@H]1COC[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000323169240 636905146 /nfs/dbraw/zinc/90/51/46/636905146.db2.gz LZSYWBKVYGMDFF-LZCWHGQZSA-N 2 2 224.304 -0.668 20 0 BBADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2COC[C@@H]2O)n1C ZINC000323398113 490095008 /nfs/dbraw/zinc/09/50/08/490095008.db2.gz KIGBBDPKPIUSTA-ZJUUUORDSA-N 2 2 240.307 -0.665 20 0 BBADLP O[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000323596475 386376153 /nfs/dbraw/zinc/37/61/53/386376153.db2.gz YETZASPCJLBRGB-NWDGAFQWSA-N 2 2 226.320 -0.038 20 0 BBADLP CCn1c[nH+]cc1C[NH2+][C@@H]1COC[C@@H]1O ZINC000323625606 388270025 /nfs/dbraw/zinc/27/00/25/388270025.db2.gz DMYJASSUHCYFBP-ZJUUUORDSA-N 2 2 211.265 -0.248 20 0 BBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000328469139 388643504 /nfs/dbraw/zinc/64/35/04/388643504.db2.gz MNUATASSBRCCLN-APPZFPTMSA-N 2 2 224.264 -0.597 20 0 BBADLP O=C1NC[C@H]2C[N@@H+](CCn3cc[nH+]c3)CCN12 ZINC000328622747 183026349 /nfs/dbraw/zinc/02/63/49/183026349.db2.gz YKPFCPVYBAICOT-JTQLQIEISA-N 2 2 235.291 -0.203 20 0 BBADLP O=C1NC[C@H]2C[N@H+](CCn3cc[nH+]c3)CCN12 ZINC000328622747 183026347 /nfs/dbraw/zinc/02/63/47/183026347.db2.gz YKPFCPVYBAICOT-JTQLQIEISA-N 2 2 235.291 -0.203 20 0 BBADLP O=C1NC[C@@H]2C[N@@H+](CCn3cc[nH+]c3)CCN12 ZINC000328622748 183026272 /nfs/dbraw/zinc/02/62/72/183026272.db2.gz YKPFCPVYBAICOT-SNVBAGLBSA-N 2 2 235.291 -0.203 20 0 BBADLP O=C1NC[C@@H]2C[N@H+](CCn3cc[nH+]c3)CCN12 ZINC000328622748 183026271 /nfs/dbraw/zinc/02/62/71/183026271.db2.gz YKPFCPVYBAICOT-SNVBAGLBSA-N 2 2 235.291 -0.203 20 0 BBADLP Cn1nnc(C[NH+]2CCC(C[NH+](C)C)CC2)n1 ZINC000328671709 386606245 /nfs/dbraw/zinc/60/62/45/386606245.db2.gz NPOYWDYNLIUFFN-UHFFFAOYSA-N 2 2 238.339 -0.016 20 0 BBADLP C[N@@H+](CCn1cc[nH+]c1)[C@@H]1COC[C@H]1O ZINC000329074756 386602162 /nfs/dbraw/zinc/60/21/62/386602162.db2.gz PISKXCLQOXMSLC-NXEZZACHSA-N 2 2 211.265 -0.425 20 0 BBADLP C[N@H+](CCn1cc[nH+]c1)[C@@H]1COC[C@H]1O ZINC000329074756 386602156 /nfs/dbraw/zinc/60/21/56/386602156.db2.gz PISKXCLQOXMSLC-NXEZZACHSA-N 2 2 211.265 -0.425 20 0 BBADLP C[N@@H+](CCn1cc[nH+]c1)[C@@]1(CO)CCOC1 ZINC000329736416 386797340 /nfs/dbraw/zinc/79/73/40/386797340.db2.gz LLDHBKVNJYWRPA-LLVKDONJSA-N 2 2 225.292 -0.034 20 0 BBADLP C[N@H+](CCn1cc[nH+]c1)[C@@]1(CO)CCOC1 ZINC000329736416 386797333 /nfs/dbraw/zinc/79/73/33/386797333.db2.gz LLDHBKVNJYWRPA-LLVKDONJSA-N 2 2 225.292 -0.034 20 0 BBADLP C[N@@H+](CCn1cc[nH+]c1)[C@]1(CO)CCOC1 ZINC000329736417 386795655 /nfs/dbraw/zinc/79/56/55/386795655.db2.gz LLDHBKVNJYWRPA-NSHDSACASA-N 2 2 225.292 -0.034 20 0 BBADLP C[N@H+](CCn1cc[nH+]c1)[C@]1(CO)CCOC1 ZINC000329736417 386795650 /nfs/dbraw/zinc/79/56/50/386795650.db2.gz LLDHBKVNJYWRPA-NSHDSACASA-N 2 2 225.292 -0.034 20 0 BBADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cn[nH]c1 ZINC000330363525 388443508 /nfs/dbraw/zinc/44/35/08/388443508.db2.gz IYTCOTDUZRXQKB-PSASIEDQSA-N 2 2 212.297 -0.017 20 0 BBADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cn[nH]c1 ZINC000330363526 388443841 /nfs/dbraw/zinc/44/38/41/388443841.db2.gz IYTCOTDUZRXQKB-SCZZXKLOSA-N 2 2 212.297 -0.017 20 0 BBADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cn[nH]c1 ZINC000330363527 385256922 /nfs/dbraw/zinc/25/69/22/385256922.db2.gz IYTCOTDUZRXQKB-WCBMZHEXSA-N 2 2 212.297 -0.017 20 0 BBADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cn[nH]c1 ZINC000330363528 388443223 /nfs/dbraw/zinc/44/32/23/388443223.db2.gz IYTCOTDUZRXQKB-WPRPVWTQSA-N 2 2 212.297 -0.017 20 0 BBADLP OCCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330363599 183055475 /nfs/dbraw/zinc/05/54/75/183055475.db2.gz LLMXMCNFTNXDOZ-UHFFFAOYSA-N 2 2 224.308 -0.090 20 0 BBADLP CO[C@H]1C[C@@H](C(=O)NCc2[nH]cc[nH+]2)[N@@H+](C)C1 ZINC000330528746 386773458 /nfs/dbraw/zinc/77/34/58/386773458.db2.gz FJQVVYJHOOMBBS-IUCAKERBSA-N 2 2 238.291 -0.255 20 0 BBADLP CO[C@H]1C[C@@H](C(=O)NCc2[nH]cc[nH+]2)[N@H+](C)C1 ZINC000330528746 386773453 /nfs/dbraw/zinc/77/34/53/386773453.db2.gz FJQVVYJHOOMBBS-IUCAKERBSA-N 2 2 238.291 -0.255 20 0 BBADLP CO[C@H]1C[C@@H](C(=O)NCc2c[nH]c[nH+]2)[N@@H+](C)C1 ZINC000330530419 386773527 /nfs/dbraw/zinc/77/35/27/386773527.db2.gz GFJXTCVIKNYWNW-UWVGGRQHSA-N 2 2 238.291 -0.255 20 0 BBADLP CO[C@H]1C[C@@H](C(=O)NCc2c[nH]c[nH+]2)[N@H+](C)C1 ZINC000330530419 386773523 /nfs/dbraw/zinc/77/35/23/386773523.db2.gz GFJXTCVIKNYWNW-UWVGGRQHSA-N 2 2 238.291 -0.255 20 0 BBADLP CO[C@H]1C[C@@H](C(=O)NCc2c[nH+]c[nH]2)[N@@H+](C)C1 ZINC000330530419 386773520 /nfs/dbraw/zinc/77/35/20/386773520.db2.gz GFJXTCVIKNYWNW-UWVGGRQHSA-N 2 2 238.291 -0.255 20 0 BBADLP CO[C@H]1C[C@@H](C(=O)NCc2c[nH+]c[nH]2)[N@H+](C)C1 ZINC000330530419 386773513 /nfs/dbraw/zinc/77/35/13/386773513.db2.gz GFJXTCVIKNYWNW-UWVGGRQHSA-N 2 2 238.291 -0.255 20 0 BBADLP CO[C@H]1C[C@@H](CO)[N@H+](CCn2cc[nH+]c2)C1 ZINC000330544557 384436056 /nfs/dbraw/zinc/43/60/56/384436056.db2.gz ONVZKEYAVNUTNN-QWRGUYRKSA-N 2 2 225.292 -0.035 20 0 BBADLP C[N@@H+](CCC(N)=O)CC(=O)N1CC[NH+](C)CC1 ZINC000330608368 173066386 /nfs/dbraw/zinc/06/63/86/173066386.db2.gz LAAIBNFWPUZDTC-UHFFFAOYSA-N 2 2 242.323 -0.382 20 0 BBADLP C[N@H+](CCC(N)=O)CC(=O)N1CC[NH+](C)CC1 ZINC000330608368 173066384 /nfs/dbraw/zinc/06/63/84/173066384.db2.gz LAAIBNFWPUZDTC-UHFFFAOYSA-N 2 2 242.323 -0.382 20 0 BBADLP C[C@@H](O)C[N@@H+](Cc1c[nH+]cn1C)[C@H](C)CO ZINC000331306847 387011814 /nfs/dbraw/zinc/01/18/14/387011814.db2.gz ZULKZKWRPOCSJG-NXEZZACHSA-N 2 2 227.308 -0.016 20 0 BBADLP C[C@@H](O)C[N@H+](Cc1c[nH+]cn1C)[C@H](C)CO ZINC000331306847 387011810 /nfs/dbraw/zinc/01/18/10/387011810.db2.gz ZULKZKWRPOCSJG-NXEZZACHSA-N 2 2 227.308 -0.016 20 0 BBADLP C[C@H](O)C[N@@H+](Cc1c[nH+]cn1C)[C@@H](C)CO ZINC000331306848 387012487 /nfs/dbraw/zinc/01/24/87/387012487.db2.gz ZULKZKWRPOCSJG-UWVGGRQHSA-N 2 2 227.308 -0.016 20 0 BBADLP C[C@H](O)C[N@H+](Cc1c[nH+]cn1C)[C@@H](C)CO ZINC000331306848 387012481 /nfs/dbraw/zinc/01/24/81/387012481.db2.gz ZULKZKWRPOCSJG-UWVGGRQHSA-N 2 2 227.308 -0.016 20 0 BBADLP C[C@@H](O)C[N@@H+](Cc1c[nH+]cn1C)[C@@H](C)CO ZINC000331306849 387012047 /nfs/dbraw/zinc/01/20/47/387012047.db2.gz ZULKZKWRPOCSJG-VHSXEESVSA-N 2 2 227.308 -0.016 20 0 BBADLP C[C@@H](O)C[N@H+](Cc1c[nH+]cn1C)[C@@H](C)CO ZINC000331306849 387012043 /nfs/dbraw/zinc/01/20/43/387012043.db2.gz ZULKZKWRPOCSJG-VHSXEESVSA-N 2 2 227.308 -0.016 20 0 BBADLP C[C@H](CO)[N@H+](Cc1c[nH+]cn1C)C[C@H](C)O ZINC000331306850 387011991 /nfs/dbraw/zinc/01/19/91/387011991.db2.gz ZULKZKWRPOCSJG-ZJUUUORDSA-N 2 2 227.308 -0.016 20 0 BBADLP C[C@H](CO)[N@@H+](Cc1c[nH+]cn1C)C[C@H](C)O ZINC000331306850 387011990 /nfs/dbraw/zinc/01/19/90/387011990.db2.gz ZULKZKWRPOCSJG-ZJUUUORDSA-N 2 2 227.308 -0.016 20 0 BBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000331832655 386914118 /nfs/dbraw/zinc/91/41/18/386914118.db2.gz RBBZOMUUAYWYBU-ZJUUUORDSA-N 2 2 227.308 -0.876 20 0 BBADLP Cn1nnnc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000332287832 383868889 /nfs/dbraw/zinc/86/88/89/383868889.db2.gz GWWPPGVHOXRSIF-UHFFFAOYSA-N 2 2 235.295 -0.071 20 0 BBADLP Cn1nnnc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000332287832 383868881 /nfs/dbraw/zinc/86/88/81/383868881.db2.gz GWWPPGVHOXRSIF-UHFFFAOYSA-N 2 2 235.295 -0.071 20 0 BBADLP Cn1cc([C@@H]2C[N@@H+](CC(C)(C)O)C[C@H]2[NH3+])cn1 ZINC000332413661 386975492 /nfs/dbraw/zinc/97/54/92/386975492.db2.gz PIBLTBWIAVUCRV-WDEREUQCSA-N 2 2 238.335 -0.083 20 0 BBADLP Cn1cc([C@@H]2C[N@H+](CC(C)(C)O)C[C@H]2[NH3+])cn1 ZINC000332413661 386975487 /nfs/dbraw/zinc/97/54/87/386975487.db2.gz PIBLTBWIAVUCRV-WDEREUQCSA-N 2 2 238.335 -0.083 20 0 BBADLP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])nc1=O ZINC000333459035 387037187 /nfs/dbraw/zinc/03/71/87/387037187.db2.gz GCZSZYDIRXGAAU-HTQZYQBOSA-N 2 2 225.296 -0.532 20 0 BBADLP Cc1cc(NC[C@@H]2C[NH2+]CCCO2)nc[nH+]1 ZINC000333496336 411649443 /nfs/dbraw/zinc/64/94/43/411649443.db2.gz BZTJNIBVNLFZEN-JTQLQIEISA-N 2 2 222.292 0.575 20 0 BBADLP Cc1cc(NC[C@H]2C[NH2+]CCCO2)nc[nH+]1 ZINC000333496342 411652652 /nfs/dbraw/zinc/65/26/52/411652652.db2.gz BZTJNIBVNLFZEN-SNVBAGLBSA-N 2 2 222.292 0.575 20 0 BBADLP Cc1nc(NC[C@@H]2C[NH2+]CCCO2)cc[nH+]1 ZINC000333588631 541404266 /nfs/dbraw/zinc/40/42/66/541404266.db2.gz SIQAUINPQNFFOU-JTQLQIEISA-N 2 2 222.292 0.575 20 0 BBADLP Cc1nc(NC[C@H]2C[NH2+]CCCO2)cc[nH+]1 ZINC000333588635 541404313 /nfs/dbraw/zinc/40/43/13/541404313.db2.gz SIQAUINPQNFFOU-SNVBAGLBSA-N 2 2 222.292 0.575 20 0 BBADLP Cc1c[nH+]ccc1NC(=O)NC1C[NH2+]C1 ZINC000334821850 386953023 /nfs/dbraw/zinc/95/30/23/386953023.db2.gz MRCIVEYHUFUSDH-UHFFFAOYSA-N 2 2 206.249 -0.095 20 0 BBADLP Cc1cc(NC(=O)NC2C[NH2+]C2)cc[nH+]1 ZINC000334826863 386861980 /nfs/dbraw/zinc/86/19/80/386861980.db2.gz YAFFGYAHIHAMRB-UHFFFAOYSA-N 2 2 206.249 -0.095 20 0 BBADLP C[NH+]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000334838648 398273525 /nfs/dbraw/zinc/27/35/25/398273525.db2.gz MATOLKALJUFROH-MRVPVSSYSA-N 2 2 233.262 -0.242 20 0 BBADLP C[NH+]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000334838656 398273724 /nfs/dbraw/zinc/27/37/24/398273724.db2.gz MATOLKALJUFROH-QMMMGPOBSA-N 2 2 233.262 -0.242 20 0 BBADLP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000334838664 398273540 /nfs/dbraw/zinc/27/35/40/398273540.db2.gz NXYHVYQGQDQMTE-JGVFFNPUSA-N 2 2 233.262 -0.148 20 0 BBADLP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000334838666 398273551 /nfs/dbraw/zinc/27/35/51/398273551.db2.gz NXYHVYQGQDQMTE-YUMQZZPRSA-N 2 2 233.262 -0.148 20 0 BBADLP CC1(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)C[NH2+]C1 ZINC000335032426 385920591 /nfs/dbraw/zinc/92/05/91/385920591.db2.gz KMPHQHAGPDVRPC-MRVPVSSYSA-N 2 2 247.289 -0.043 20 0 BBADLP CC1(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C[NH2+]C1 ZINC000335032427 386063251 /nfs/dbraw/zinc/06/32/51/386063251.db2.gz KMPHQHAGPDVRPC-QMMMGPOBSA-N 2 2 247.289 -0.043 20 0 BBADLP O=C([C@@H]1CSC[NH2+]1)N1CC[NH+]2CCC1CC2 ZINC000335037801 385927531 /nfs/dbraw/zinc/92/75/31/385927531.db2.gz MCGNQBWVKQMMCY-JTQLQIEISA-N 2 2 241.360 -0.045 20 0 BBADLP O=C([C@H]1CSC[NH2+]1)N1CC[NH+]2CCC1CC2 ZINC000335037802 385929008 /nfs/dbraw/zinc/92/90/08/385929008.db2.gz MCGNQBWVKQMMCY-SNVBAGLBSA-N 2 2 241.360 -0.045 20 0 BBADLP CC[NH+]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000335067684 386009148 /nfs/dbraw/zinc/00/91/48/386009148.db2.gz LYALILUMWXDWHQ-PWSUYJOCSA-N 2 2 223.320 -0.098 20 0 BBADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000335284331 136001865 /nfs/dbraw/zinc/00/18/65/136001865.db2.gz INLGHGJJLHBLNP-BDAKNGLRSA-N 2 2 247.289 -0.043 20 0 BBADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@H]1CC[NH2+]C1 ZINC000335284332 136002126 /nfs/dbraw/zinc/00/21/26/136002126.db2.gz INLGHGJJLHBLNP-DTWKUNHWSA-N 2 2 247.289 -0.043 20 0 BBADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@H]1CC[NH2+]C1 ZINC000335284333 136001988 /nfs/dbraw/zinc/00/19/88/136001988.db2.gz INLGHGJJLHBLNP-IUCAKERBSA-N 2 2 247.289 -0.043 20 0 BBADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000335284334 136002193 /nfs/dbraw/zinc/00/21/93/136002193.db2.gz INLGHGJJLHBLNP-RKDXNWHRSA-N 2 2 247.289 -0.043 20 0 BBADLP C[NH+](C)CC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000335342608 136064593 /nfs/dbraw/zinc/06/45/93/136064593.db2.gz XSSYGAXVZUPBHE-JTQLQIEISA-N 2 2 217.288 -0.292 20 0 BBADLP C[NH+](C)CC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000335342609 136064611 /nfs/dbraw/zinc/06/46/11/136064611.db2.gz XSSYGAXVZUPBHE-SNVBAGLBSA-N 2 2 217.288 -0.292 20 0 BBADLP CNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335396997 136092946 /nfs/dbraw/zinc/09/29/46/136092946.db2.gz CVEYZEUOCCSHIX-LLVKDONJSA-N 2 2 211.309 -0.192 20 0 BBADLP CNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 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223.320 -0.050 20 0 BBADLP O=C1NCC[C@@H]1[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335400063 136093938 /nfs/dbraw/zinc/09/39/38/136093938.db2.gz RLDKHUALURSNFV-CMPLNLGQSA-N 2 2 223.320 -0.050 20 0 BBADLP O=C1NCC[C@@H]1[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335400064 136093656 /nfs/dbraw/zinc/09/36/56/136093656.db2.gz RLDKHUALURSNFV-JQWIXIFHSA-N 2 2 223.320 -0.050 20 0 BBADLP O=C1NCC[C@@H]1[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335400064 136093655 /nfs/dbraw/zinc/09/36/55/136093655.db2.gz RLDKHUALURSNFV-JQWIXIFHSA-N 2 2 223.320 -0.050 20 0 BBADLP O=C1NCC[C@H]1[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335400065 136093691 /nfs/dbraw/zinc/09/36/91/136093691.db2.gz RLDKHUALURSNFV-PWSUYJOCSA-N 2 2 223.320 -0.050 20 0 BBADLP O=C1NCC[C@H]1[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335400065 136093690 /nfs/dbraw/zinc/09/36/90/136093690.db2.gz RLDKHUALURSNFV-PWSUYJOCSA-N 2 2 223.320 -0.050 20 0 BBADLP O=C1NCC[C@H]1[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335400066 136093620 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O=C1C[C@H]([NH2+][C@H]2CC[NH2+]C2)CN1C1CC1 ZINC000335650291 136304739 /nfs/dbraw/zinc/30/47/39/136304739.db2.gz SHTXZAHPOUQUQC-IUCAKERBSA-N 2 2 209.293 -0.299 20 0 BBADLP O=C1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)CN1C1CC1 ZINC000335650293 384994364 /nfs/dbraw/zinc/99/43/64/384994364.db2.gz SHTXZAHPOUQUQC-RKDXNWHRSA-N 2 2 209.293 -0.299 20 0 BBADLP [NH3+][C@@H]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000335678658 136319645 /nfs/dbraw/zinc/31/96/45/136319645.db2.gz JDRADNZWZBVGAB-HTQZYQBOSA-N 2 2 233.262 -0.067 20 0 BBADLP [NH3+][C@H]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000335678659 136319393 /nfs/dbraw/zinc/31/93/93/136319393.db2.gz JDRADNZWZBVGAB-JGVFFNPUSA-N 2 2 233.262 -0.067 20 0 BBADLP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000335678660 136319421 /nfs/dbraw/zinc/31/94/21/136319421.db2.gz JDRADNZWZBVGAB-SFYZADRCSA-N 2 2 233.262 -0.067 20 0 BBADLP [NH3+][C@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000335678661 136319663 /nfs/dbraw/zinc/31/96/63/136319663.db2.gz 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AVGSTDJCYZIRKJ-ZJUUUORDSA-N 2 2 211.309 -0.242 20 0 BBADLP C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000336031428 536373360 /nfs/dbraw/zinc/37/33/60/536373360.db2.gz DXNZRIORWRZTQM-HTQZYQBOSA-N 2 2 233.262 -0.196 20 0 BBADLP C[NH2+][C@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000336031429 134058265 /nfs/dbraw/zinc/05/82/65/134058265.db2.gz DXNZRIORWRZTQM-JGVFFNPUSA-N 2 2 233.262 -0.196 20 0 BBADLP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000336031430 536372496 /nfs/dbraw/zinc/37/24/96/536372496.db2.gz DXNZRIORWRZTQM-SFYZADRCSA-N 2 2 233.262 -0.196 20 0 BBADLP C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000336031431 134058149 /nfs/dbraw/zinc/05/81/49/134058149.db2.gz DXNZRIORWRZTQM-YUMQZZPRSA-N 2 2 233.262 -0.196 20 0 BBADLP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000336031482 134058233 /nfs/dbraw/zinc/05/82/33/134058233.db2.gz NXYHVYQGQDQMTE-HTQZYQBOSA-N 2 2 233.262 -0.148 20 0 BBADLP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000336031483 134058130 /nfs/dbraw/zinc/05/81/30/134058130.db2.gz NXYHVYQGQDQMTE-SFYZADRCSA-N 2 2 233.262 -0.148 20 0 BBADLP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC[NH2+]CC1 ZINC000336031503 134058325 /nfs/dbraw/zinc/05/83/25/134058325.db2.gz QMROCVBRHRZXCZ-MRVPVSSYSA-N 2 2 233.262 -0.195 20 0 BBADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC[NH2+]CC1 ZINC000336031884 134058532 /nfs/dbraw/zinc/05/85/32/134058532.db2.gz QMROCVBRHRZXCZ-QMMMGPOBSA-N 2 2 233.262 -0.195 20 0 BBADLP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000336212028 134134843 /nfs/dbraw/zinc/13/48/43/134134843.db2.gz CYYSYFNCJSPTJI-PSASIEDQSA-N 2 2 247.339 -0.191 20 0 BBADLP C[C@]1(F)C[NH2+]CCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000336212034 134134725 /nfs/dbraw/zinc/13/47/25/134134725.db2.gz CYYSYFNCJSPTJI-SCZZXKLOSA-N 2 2 247.339 -0.191 20 0 BBADLP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000336212035 134134866 /nfs/dbraw/zinc/13/48/66/134134866.db2.gz CYYSYFNCJSPTJI-WCBMZHEXSA-N 2 2 247.339 -0.191 20 0 BBADLP C[C@]1(F)C[NH2+]CCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000336212036 134134551 /nfs/dbraw/zinc/13/45/51/134134551.db2.gz CYYSYFNCJSPTJI-WPRPVWTQSA-N 2 2 247.339 -0.191 20 0 BBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000336244032 173067609 /nfs/dbraw/zinc/06/76/09/173067609.db2.gz SGFFHLNUJRJEFR-UHFFFAOYSA-N 2 2 211.309 -0.145 20 0 BBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000336244032 173067607 /nfs/dbraw/zinc/06/76/07/173067607.db2.gz SGFFHLNUJRJEFR-UHFFFAOYSA-N 2 2 211.309 -0.145 20 0 BBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](F)C2)CC1 ZINC000336259481 173068032 /nfs/dbraw/zinc/06/80/32/173068032.db2.gz FOAZPUSXQNVNRL-JTQLQIEISA-N 2 2 229.299 -0.196 20 0 BBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](F)C2)CC1 ZINC000336259481 173068030 /nfs/dbraw/zinc/06/80/30/173068030.db2.gz FOAZPUSXQNVNRL-JTQLQIEISA-N 2 2 229.299 -0.196 20 0 BBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](F)C2)CC1 ZINC000336259482 173068058 /nfs/dbraw/zinc/06/80/58/173068058.db2.gz FOAZPUSXQNVNRL-SNVBAGLBSA-N 2 2 229.299 -0.196 20 0 BBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](F)C2)CC1 ZINC000336259482 173068056 /nfs/dbraw/zinc/06/80/56/173068056.db2.gz FOAZPUSXQNVNRL-SNVBAGLBSA-N 2 2 229.299 -0.196 20 0 BBADLP O[C@H](Cn1cc[nH+]c1)C[NH+]1CCOCC1 ZINC000336642628 183178231 /nfs/dbraw/zinc/17/82/31/183178231.db2.gz AMGGROAVGJGXGT-JTQLQIEISA-N 2 2 211.265 -0.424 20 0 BBADLP O[C@@H](Cn1cc[nH+]c1)C[NH+]1CCOCC1 ZINC000336642629 183221370 /nfs/dbraw/zinc/22/13/70/183221370.db2.gz AMGGROAVGJGXGT-SNVBAGLBSA-N 2 2 211.265 -0.424 20 0 BBADLP CS(=O)(=O)CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000336651986 385638991 /nfs/dbraw/zinc/63/89/91/385638991.db2.gz IKFCZCZSTLXOAY-GHMZBOCLSA-N 2 2 246.376 -0.038 20 0 BBADLP CS(=O)(=O)CCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000336651986 385638985 /nfs/dbraw/zinc/63/89/85/385638985.db2.gz IKFCZCZSTLXOAY-GHMZBOCLSA-N 2 2 246.376 -0.038 20 0 BBADLP CS(=O)(=O)CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000336651987 385640333 /nfs/dbraw/zinc/64/03/33/385640333.db2.gz IKFCZCZSTLXOAY-MNOVXSKESA-N 2 2 246.376 -0.038 20 0 BBADLP CS(=O)(=O)CCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000336651987 385640330 /nfs/dbraw/zinc/64/03/30/385640330.db2.gz IKFCZCZSTLXOAY-MNOVXSKESA-N 2 2 246.376 -0.038 20 0 BBADLP CS(=O)(=O)CCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000336651988 385641062 /nfs/dbraw/zinc/64/10/62/385641062.db2.gz IKFCZCZSTLXOAY-QWRGUYRKSA-N 2 2 246.376 -0.038 20 0 BBADLP CS(=O)(=O)CCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000336651988 385641058 /nfs/dbraw/zinc/64/10/58/385641058.db2.gz IKFCZCZSTLXOAY-QWRGUYRKSA-N 2 2 246.376 -0.038 20 0 BBADLP CS(=O)(=O)CCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000336651989 385639625 /nfs/dbraw/zinc/63/96/25/385639625.db2.gz IKFCZCZSTLXOAY-WDEREUQCSA-N 2 2 246.376 -0.038 20 0 BBADLP CS(=O)(=O)CCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000336651989 385639619 /nfs/dbraw/zinc/63/96/19/385639619.db2.gz IKFCZCZSTLXOAY-WDEREUQCSA-N 2 2 246.376 -0.038 20 0 BBADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H](O)C1)C1CC1 ZINC000336652487 384626567 /nfs/dbraw/zinc/62/65/67/384626567.db2.gz ILKRNSBTLPKZMR-NEPJUHHUSA-N 2 2 228.336 -0.102 20 0 BBADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H](O)C1)C1CC1 ZINC000336652487 384626561 /nfs/dbraw/zinc/62/65/61/384626561.db2.gz ILKRNSBTLPKZMR-NEPJUHHUSA-N 2 2 228.336 -0.102 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H](O)C1)C1CC1 ZINC000336652487 384626558 /nfs/dbraw/zinc/62/65/58/384626558.db2.gz ILKRNSBTLPKZMR-NEPJUHHUSA-N 2 2 228.336 -0.102 20 0 BBADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H](O)C1)C1CC1 ZINC000336652487 384626553 /nfs/dbraw/zinc/62/65/53/384626553.db2.gz ILKRNSBTLPKZMR-NEPJUHHUSA-N 2 2 228.336 -0.102 20 0 BBADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H](O)C1)C1CC1 ZINC000336652488 385643092 /nfs/dbraw/zinc/64/30/92/385643092.db2.gz ILKRNSBTLPKZMR-VXGBXAGGSA-N 2 2 228.336 -0.102 20 0 BBADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H](O)C1)C1CC1 ZINC000336652488 385643086 /nfs/dbraw/zinc/64/30/86/385643086.db2.gz ILKRNSBTLPKZMR-VXGBXAGGSA-N 2 2 228.336 -0.102 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H](O)C1)C1CC1 ZINC000336652488 385643082 /nfs/dbraw/zinc/64/30/82/385643082.db2.gz ILKRNSBTLPKZMR-VXGBXAGGSA-N 2 2 228.336 -0.102 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H](O)C1)C1CC1 ZINC000336652488 385643079 /nfs/dbraw/zinc/64/30/79/385643079.db2.gz ILKRNSBTLPKZMR-VXGBXAGGSA-N 2 2 228.336 -0.102 20 0 BBADLP CC(C)OCCOC[C@H](O)C[N@@H+](C)CC[NH3+] ZINC000336654480 167248666 /nfs/dbraw/zinc/24/86/66/167248666.db2.gz GSSQFBZLZSTNDD-LLVKDONJSA-N 2 2 234.340 -0.321 20 0 BBADLP CC(C)OCCOC[C@H](O)C[N@H+](C)CC[NH3+] ZINC000336654480 167248663 /nfs/dbraw/zinc/24/86/63/167248663.db2.gz GSSQFBZLZSTNDD-LLVKDONJSA-N 2 2 234.340 -0.321 20 0 BBADLP CC(C)OCCOC[C@@H](O)C[N@@H+](C)CC[NH3+] ZINC000336654486 167249677 /nfs/dbraw/zinc/24/96/77/167249677.db2.gz GSSQFBZLZSTNDD-NSHDSACASA-N 2 2 234.340 -0.321 20 0 BBADLP CC(C)OCCOC[C@@H](O)C[N@H+](C)CC[NH3+] ZINC000336654486 167249674 /nfs/dbraw/zinc/24/96/74/167249674.db2.gz GSSQFBZLZSTNDD-NSHDSACASA-N 2 2 234.340 -0.321 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCOCCO ZINC000336655373 176276969 /nfs/dbraw/zinc/27/69/69/176276969.db2.gz NPRJYOJNPQDEQG-NXEZZACHSA-N 2 2 202.298 -0.465 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCOCCO ZINC000336655373 176276968 /nfs/dbraw/zinc/27/69/68/176276968.db2.gz NPRJYOJNPQDEQG-NXEZZACHSA-N 2 2 202.298 -0.465 20 0 BBADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCOCCO ZINC000336655378 177236441 /nfs/dbraw/zinc/23/64/41/177236441.db2.gz NPRJYOJNPQDEQG-UWVGGRQHSA-N 2 2 202.298 -0.465 20 0 BBADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCOCCO ZINC000336655378 177236438 /nfs/dbraw/zinc/23/64/38/177236438.db2.gz NPRJYOJNPQDEQG-UWVGGRQHSA-N 2 2 202.298 -0.465 20 0 BBADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCOCCO ZINC000336655379 177238002 /nfs/dbraw/zinc/23/80/02/177238002.db2.gz NPRJYOJNPQDEQG-VHSXEESVSA-N 2 2 202.298 -0.465 20 0 BBADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCOCCO ZINC000336655379 177238001 /nfs/dbraw/zinc/23/80/01/177238001.db2.gz NPRJYOJNPQDEQG-VHSXEESVSA-N 2 2 202.298 -0.465 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCOCCO ZINC000336655380 176272285 /nfs/dbraw/zinc/27/22/85/176272285.db2.gz NPRJYOJNPQDEQG-ZJUUUORDSA-N 2 2 202.298 -0.465 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCOCCO ZINC000336655380 176272284 /nfs/dbraw/zinc/27/22/84/176272284.db2.gz NPRJYOJNPQDEQG-ZJUUUORDSA-N 2 2 202.298 -0.465 20 0 BBADLP C[NH2+]CCC[N@@H+]1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000336660796 173347155 /nfs/dbraw/zinc/34/71/55/173347155.db2.gz CQJJSEITPGQUEY-DTWKUNHWSA-N 2 2 215.297 -0.830 20 0 BBADLP C[NH2+]CCC[N@H+]1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000336660796 173347153 /nfs/dbraw/zinc/34/71/53/173347153.db2.gz CQJJSEITPGQUEY-DTWKUNHWSA-N 2 2 215.297 -0.830 20 0 BBADLP C[NH2+]CCC[N@H+]1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000336660797 173347223 /nfs/dbraw/zinc/34/72/23/173347223.db2.gz CQJJSEITPGQUEY-IUCAKERBSA-N 2 2 215.297 -0.830 20 0 BBADLP C[NH2+]CCC[N@@H+]1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000336660797 173347221 /nfs/dbraw/zinc/34/72/21/173347221.db2.gz CQJJSEITPGQUEY-IUCAKERBSA-N 2 2 215.297 -0.830 20 0 BBADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H](CO)C1)C1CC1 ZINC000336662681 388261102 /nfs/dbraw/zinc/26/11/02/388261102.db2.gz OSNRHJRICUPWHB-CMPLNLGQSA-N 2 2 228.336 -0.244 20 0 BBADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H](CO)C1)C1CC1 ZINC000336662681 388261100 /nfs/dbraw/zinc/26/11/00/388261100.db2.gz OSNRHJRICUPWHB-CMPLNLGQSA-N 2 2 228.336 -0.244 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H](CO)C1)C1CC1 ZINC000336662681 388261099 /nfs/dbraw/zinc/26/10/99/388261099.db2.gz OSNRHJRICUPWHB-CMPLNLGQSA-N 2 2 228.336 -0.244 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H](CO)C1)C1CC1 ZINC000336662681 388261096 /nfs/dbraw/zinc/26/10/96/388261096.db2.gz OSNRHJRICUPWHB-CMPLNLGQSA-N 2 2 228.336 -0.244 20 0 BBADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](CO)C1)C1CC1 ZINC000336662686 388261278 /nfs/dbraw/zinc/26/12/78/388261278.db2.gz OSNRHJRICUPWHB-JQWIXIFHSA-N 2 2 228.336 -0.244 20 0 BBADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](CO)C1)C1CC1 ZINC000336662686 388261277 /nfs/dbraw/zinc/26/12/77/388261277.db2.gz OSNRHJRICUPWHB-JQWIXIFHSA-N 2 2 228.336 -0.244 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](CO)C1)C1CC1 ZINC000336662686 388261275 /nfs/dbraw/zinc/26/12/75/388261275.db2.gz OSNRHJRICUPWHB-JQWIXIFHSA-N 2 2 228.336 -0.244 20 0 BBADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](CO)C1)C1CC1 ZINC000336662686 388261272 /nfs/dbraw/zinc/26/12/72/388261272.db2.gz OSNRHJRICUPWHB-JQWIXIFHSA-N 2 2 228.336 -0.244 20 0 BBADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](CO)C1)C1CC1 ZINC000336662688 388260928 /nfs/dbraw/zinc/26/09/28/388260928.db2.gz OSNRHJRICUPWHB-PWSUYJOCSA-N 2 2 228.336 -0.244 20 0 BBADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](CO)C1)C1CC1 ZINC000336662688 388260927 /nfs/dbraw/zinc/26/09/27/388260927.db2.gz OSNRHJRICUPWHB-PWSUYJOCSA-N 2 2 228.336 -0.244 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](CO)C1)C1CC1 ZINC000336662688 388260926 /nfs/dbraw/zinc/26/09/26/388260926.db2.gz OSNRHJRICUPWHB-PWSUYJOCSA-N 2 2 228.336 -0.244 20 0 BBADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](CO)C1)C1CC1 ZINC000336662688 388260924 /nfs/dbraw/zinc/26/09/24/388260924.db2.gz OSNRHJRICUPWHB-PWSUYJOCSA-N 2 2 228.336 -0.244 20 0 BBADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H](CO)C1)C1CC1 ZINC000336662696 388261065 /nfs/dbraw/zinc/26/10/65/388261065.db2.gz OSNRHJRICUPWHB-ZYHUDNBSSA-N 2 2 228.336 -0.244 20 0 BBADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H](CO)C1)C1CC1 ZINC000336662696 388261063 /nfs/dbraw/zinc/26/10/63/388261063.db2.gz OSNRHJRICUPWHB-ZYHUDNBSSA-N 2 2 228.336 -0.244 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H](CO)C1)C1CC1 ZINC000336662696 388261060 /nfs/dbraw/zinc/26/10/60/388261060.db2.gz OSNRHJRICUPWHB-ZYHUDNBSSA-N 2 2 228.336 -0.244 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H](CO)C1)C1CC1 ZINC000336662696 388261059 /nfs/dbraw/zinc/26/10/59/388261059.db2.gz OSNRHJRICUPWHB-ZYHUDNBSSA-N 2 2 228.336 -0.244 20 0 BBADLP C[C@@H]1C[C@H](O)C[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336667826 386784861 /nfs/dbraw/zinc/78/48/61/386784861.db2.gz QLXUPVLECXHOJW-ADEWGFFLSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@@H]1C[C@H](O)C[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000336667826 386784857 /nfs/dbraw/zinc/78/48/57/386784857.db2.gz QLXUPVLECXHOJW-ADEWGFFLSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@@H]1C[C@H](O)C[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000336667826 386784853 /nfs/dbraw/zinc/78/48/53/386784853.db2.gz QLXUPVLECXHOJW-ADEWGFFLSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@@H]1C[C@H](O)C[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000336667826 386784849 /nfs/dbraw/zinc/78/48/49/386784849.db2.gz QLXUPVLECXHOJW-ADEWGFFLSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@@H]1C[C@@H](O)C[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336667828 176382193 /nfs/dbraw/zinc/38/21/93/176382193.db2.gz QLXUPVLECXHOJW-JLLWLGSASA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@@H]1C[C@@H](O)C[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336667828 176382191 /nfs/dbraw/zinc/38/21/91/176382191.db2.gz QLXUPVLECXHOJW-JLLWLGSASA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@@H]1C[C@@H](O)C[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000336667828 176382190 /nfs/dbraw/zinc/38/21/90/176382190.db2.gz QLXUPVLECXHOJW-JLLWLGSASA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000336667828 176382188 /nfs/dbraw/zinc/38/21/88/176382188.db2.gz QLXUPVLECXHOJW-JLLWLGSASA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@@H]1C[C@H](O)C[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336667830 386786080 /nfs/dbraw/zinc/78/60/80/386786080.db2.gz QLXUPVLECXHOJW-USWWRNFRSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@@H]1C[C@H](O)C[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336667830 386786079 /nfs/dbraw/zinc/78/60/79/386786079.db2.gz QLXUPVLECXHOJW-USWWRNFRSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@@H]1C[C@H](O)C[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000336667830 386786074 /nfs/dbraw/zinc/78/60/74/386786074.db2.gz QLXUPVLECXHOJW-USWWRNFRSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000336667830 386786070 /nfs/dbraw/zinc/78/60/70/386786070.db2.gz QLXUPVLECXHOJW-USWWRNFRSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@@H]1C[C@@H](O)C[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336667831 176382789 /nfs/dbraw/zinc/38/27/89/176382789.db2.gz QLXUPVLECXHOJW-YUSALJHKSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@@H]1C[C@@H](O)C[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000336667831 176382786 /nfs/dbraw/zinc/38/27/86/176382786.db2.gz QLXUPVLECXHOJW-YUSALJHKSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@@H]1C[C@@H](O)C[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000336667831 176382785 /nfs/dbraw/zinc/38/27/85/176382785.db2.gz QLXUPVLECXHOJW-YUSALJHKSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000336667831 176382783 /nfs/dbraw/zinc/38/27/83/176382783.db2.gz QLXUPVLECXHOJW-YUSALJHKSA-N 2 2 228.336 -0.103 20 0 BBADLP C[NH+](CCOCCO)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336668461 386792658 /nfs/dbraw/zinc/79/26/58/386792658.db2.gz AIUWASGGOOIJAF-GFCCVEGCSA-N 2 2 246.351 -0.618 20 0 BBADLP C[NH+](CCOCCO)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336668461 386792650 /nfs/dbraw/zinc/79/26/50/386792650.db2.gz AIUWASGGOOIJAF-GFCCVEGCSA-N 2 2 246.351 -0.618 20 0 BBADLP C[NH+](C[C@H](O)C[N@@H+](C)CCOCCO)C1CC1 ZINC000336668461 386792648 /nfs/dbraw/zinc/79/26/48/386792648.db2.gz AIUWASGGOOIJAF-GFCCVEGCSA-N 2 2 246.351 -0.618 20 0 BBADLP C[NH+](C[C@H](O)C[N@H+](C)CCOCCO)C1CC1 ZINC000336668461 386792642 /nfs/dbraw/zinc/79/26/42/386792642.db2.gz AIUWASGGOOIJAF-GFCCVEGCSA-N 2 2 246.351 -0.618 20 0 BBADLP C[NH+](CCOCCO)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336668464 386792162 /nfs/dbraw/zinc/79/21/62/386792162.db2.gz AIUWASGGOOIJAF-LBPRGKRZSA-N 2 2 246.351 -0.618 20 0 BBADLP C[NH+](CCOCCO)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336668464 386792159 /nfs/dbraw/zinc/79/21/59/386792159.db2.gz AIUWASGGOOIJAF-LBPRGKRZSA-N 2 2 246.351 -0.618 20 0 BBADLP C[NH+](C[C@@H](O)C[N@@H+](C)CCOCCO)C1CC1 ZINC000336668464 386792155 /nfs/dbraw/zinc/79/21/55/386792155.db2.gz AIUWASGGOOIJAF-LBPRGKRZSA-N 2 2 246.351 -0.618 20 0 BBADLP C[NH+](C[C@@H](O)C[N@H+](C)CCOCCO)C1CC1 ZINC000336668464 386792150 /nfs/dbraw/zinc/79/21/50/386792150.db2.gz AIUWASGGOOIJAF-LBPRGKRZSA-N 2 2 246.351 -0.618 20 0 BBADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](O)C1)C1CC1 ZINC000336675147 386853512 /nfs/dbraw/zinc/85/35/12/386853512.db2.gz HILVCZIYLBBSEJ-QWRGUYRKSA-N 2 2 214.309 -0.492 20 0 BBADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](O)C1)C1CC1 ZINC000336675147 386853508 /nfs/dbraw/zinc/85/35/08/386853508.db2.gz HILVCZIYLBBSEJ-QWRGUYRKSA-N 2 2 214.309 -0.492 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](O)C1)C1CC1 ZINC000336675147 386853504 /nfs/dbraw/zinc/85/35/04/386853504.db2.gz HILVCZIYLBBSEJ-QWRGUYRKSA-N 2 2 214.309 -0.492 20 0 BBADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](O)C1)C1CC1 ZINC000336675147 386853501 /nfs/dbraw/zinc/85/35/01/386853501.db2.gz HILVCZIYLBBSEJ-QWRGUYRKSA-N 2 2 214.309 -0.492 20 0 BBADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H](O)C1)C1CC1 ZINC000336675153 386853570 /nfs/dbraw/zinc/85/35/70/386853570.db2.gz HILVCZIYLBBSEJ-WDEREUQCSA-N 2 2 214.309 -0.492 20 0 BBADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H](O)C1)C1CC1 ZINC000336675153 386853567 /nfs/dbraw/zinc/85/35/67/386853567.db2.gz HILVCZIYLBBSEJ-WDEREUQCSA-N 2 2 214.309 -0.492 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H](O)C1)C1CC1 ZINC000336675153 386853553 /nfs/dbraw/zinc/85/35/53/386853553.db2.gz HILVCZIYLBBSEJ-WDEREUQCSA-N 2 2 214.309 -0.492 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H](O)C1)C1CC1 ZINC000336675153 386853549 /nfs/dbraw/zinc/85/35/49/386853549.db2.gz HILVCZIYLBBSEJ-WDEREUQCSA-N 2 2 214.309 -0.492 20 0 BBADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](C)CC2)CCO1 ZINC000336678514 176290737 /nfs/dbraw/zinc/29/07/37/176290737.db2.gz OQFGSGJIYHDXBK-GFCCVEGCSA-N 2 2 227.352 -0.046 20 0 BBADLP C[C@@H]1C[N@H+](CCN2CC[NH+](C)CC2)CCO1 ZINC000336678514 176290736 /nfs/dbraw/zinc/29/07/36/176290736.db2.gz OQFGSGJIYHDXBK-GFCCVEGCSA-N 2 2 227.352 -0.046 20 0 BBADLP C[C@H]1C[N@@H+](CCN2CC[NH+](C)CC2)CCO1 ZINC000336678532 177250567 /nfs/dbraw/zinc/25/05/67/177250567.db2.gz OQFGSGJIYHDXBK-LBPRGKRZSA-N 2 2 227.352 -0.046 20 0 BBADLP C[C@H]1C[N@H+](CCN2CC[NH+](C)CC2)CCO1 ZINC000336678532 177250566 /nfs/dbraw/zinc/25/05/66/177250566.db2.gz OQFGSGJIYHDXBK-LBPRGKRZSA-N 2 2 227.352 -0.046 20 0 BBADLP CC(C)[NH2+]CCN1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000336682060 167107526 /nfs/dbraw/zinc/10/75/26/167107526.db2.gz RWXUQEVYLHRCIM-NWDGAFQWSA-N 2 2 227.352 -0.001 20 0 BBADLP CC(C)[NH2+]CCN1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000336682060 167107524 /nfs/dbraw/zinc/10/75/24/167107524.db2.gz RWXUQEVYLHRCIM-NWDGAFQWSA-N 2 2 227.352 -0.001 20 0 BBADLP C[NH+]1CCN(C(=O)[C@H]([NH3+])CC(F)F)CC1 ZINC000336686886 173071007 /nfs/dbraw/zinc/07/10/07/173071007.db2.gz LCYVWTONZDWEON-SSDOTTSWSA-N 2 2 221.251 -0.257 20 0 BBADLP C[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(F)F)CC1 ZINC000336686940 173069787 /nfs/dbraw/zinc/06/97/87/173069787.db2.gz LCYVWTONZDWEON-ZETCQYMHSA-N 2 2 221.251 -0.257 20 0 BBADLP C[NH2+]CCC[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000336688165 173347384 /nfs/dbraw/zinc/34/73/84/173347384.db2.gz JORAKYHVXNFJJH-SECBINFHSA-N 2 2 235.353 -0.781 20 0 BBADLP C[NH2+]CCC[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000336688165 173347383 /nfs/dbraw/zinc/34/73/83/173347383.db2.gz JORAKYHVXNFJJH-SECBINFHSA-N 2 2 235.353 -0.781 20 0 BBADLP C[NH2+]CCC[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000336688166 173347031 /nfs/dbraw/zinc/34/70/31/173347031.db2.gz JORAKYHVXNFJJH-VIFPVBQESA-N 2 2 235.353 -0.781 20 0 BBADLP C[NH2+]CCC[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000336688166 173347028 /nfs/dbraw/zinc/34/70/28/173347028.db2.gz JORAKYHVXNFJJH-VIFPVBQESA-N 2 2 235.353 -0.781 20 0 BBADLP CNS(=O)(=O)CCC[N@H+]1CCC[NH2+]CC1 ZINC000336690060 385212701 /nfs/dbraw/zinc/21/27/01/385212701.db2.gz KJLWVGXODVMJFR-UHFFFAOYSA-N 2 2 235.353 -0.779 20 0 BBADLP CNS(=O)(=O)CCC[N@@H+]1CCC[NH2+]CC1 ZINC000336690060 385212697 /nfs/dbraw/zinc/21/26/97/385212697.db2.gz KJLWVGXODVMJFR-UHFFFAOYSA-N 2 2 235.353 -0.779 20 0 BBADLP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CCNC3=O)C2)C1 ZINC000336690812 173141057 /nfs/dbraw/zinc/14/10/57/173141057.db2.gz WMSYQNBPQNMANY-CMPLNLGQSA-N 2 2 223.320 -0.098 20 0 BBADLP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CCNC3=O)C2)C1 ZINC000336690812 173141055 /nfs/dbraw/zinc/14/10/55/173141055.db2.gz WMSYQNBPQNMANY-CMPLNLGQSA-N 2 2 223.320 -0.098 20 0 BBADLP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCNC3=O)C2)C1 ZINC000336690812 173141054 /nfs/dbraw/zinc/14/10/54/173141054.db2.gz WMSYQNBPQNMANY-CMPLNLGQSA-N 2 2 223.320 -0.098 20 0 BBADLP C[N@@H+]1CC[C@@]2(CC[NH+]([C@H]3CCNC3=O)C2)C1 ZINC000336690812 173141052 /nfs/dbraw/zinc/14/10/52/173141052.db2.gz WMSYQNBPQNMANY-CMPLNLGQSA-N 2 2 223.320 -0.098 20 0 BBADLP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCNC3=O)C2)C1 ZINC000336690815 173167553 /nfs/dbraw/zinc/16/75/53/173167553.db2.gz WMSYQNBPQNMANY-JQWIXIFHSA-N 2 2 223.320 -0.098 20 0 BBADLP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCNC3=O)C2)C1 ZINC000336690815 173167550 /nfs/dbraw/zinc/16/75/50/173167550.db2.gz WMSYQNBPQNMANY-JQWIXIFHSA-N 2 2 223.320 -0.098 20 0 BBADLP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCNC3=O)C2)C1 ZINC000336690815 173167549 /nfs/dbraw/zinc/16/75/49/173167549.db2.gz WMSYQNBPQNMANY-JQWIXIFHSA-N 2 2 223.320 -0.098 20 0 BBADLP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3CCNC3=O)C2)C1 ZINC000336690815 173167547 /nfs/dbraw/zinc/16/75/47/173167547.db2.gz WMSYQNBPQNMANY-JQWIXIFHSA-N 2 2 223.320 -0.098 20 0 BBADLP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCNC3=O)C2)C1 ZINC000336690817 173168334 /nfs/dbraw/zinc/16/83/34/173168334.db2.gz WMSYQNBPQNMANY-PWSUYJOCSA-N 2 2 223.320 -0.098 20 0 BBADLP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCNC3=O)C2)C1 ZINC000336690817 173168333 /nfs/dbraw/zinc/16/83/33/173168333.db2.gz WMSYQNBPQNMANY-PWSUYJOCSA-N 2 2 223.320 -0.098 20 0 BBADLP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCNC3=O)C2)C1 ZINC000336690817 173168332 /nfs/dbraw/zinc/16/83/32/173168332.db2.gz WMSYQNBPQNMANY-PWSUYJOCSA-N 2 2 223.320 -0.098 20 0 BBADLP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3CCNC3=O)C2)C1 ZINC000336690817 173168331 /nfs/dbraw/zinc/16/83/31/173168331.db2.gz WMSYQNBPQNMANY-PWSUYJOCSA-N 2 2 223.320 -0.098 20 0 BBADLP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCNC3=O)C2)C1 ZINC000336690818 173141199 /nfs/dbraw/zinc/14/11/99/173141199.db2.gz WMSYQNBPQNMANY-ZYHUDNBSSA-N 2 2 223.320 -0.098 20 0 BBADLP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCNC3=O)C2)C1 ZINC000336690818 173141197 /nfs/dbraw/zinc/14/11/97/173141197.db2.gz WMSYQNBPQNMANY-ZYHUDNBSSA-N 2 2 223.320 -0.098 20 0 BBADLP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCNC3=O)C2)C1 ZINC000336690818 173141196 /nfs/dbraw/zinc/14/11/96/173141196.db2.gz WMSYQNBPQNMANY-ZYHUDNBSSA-N 2 2 223.320 -0.098 20 0 BBADLP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCNC3=O)C2)C1 ZINC000336690818 173141194 /nfs/dbraw/zinc/14/11/94/173141194.db2.gz WMSYQNBPQNMANY-ZYHUDNBSSA-N 2 2 223.320 -0.098 20 0 BBADLP C[NH2+]CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000336700219 173324115 /nfs/dbraw/zinc/32/41/15/173324115.db2.gz NIRFOWYOZORNRU-UHFFFAOYSA-N 2 2 210.281 -0.049 20 0 BBADLP C[N@H+]1CCCN(CC[NH+]2CCOCC2)CC1 ZINC000336700856 173015053 /nfs/dbraw/zinc/01/50/53/173015053.db2.gz LLCVHXJUCSRMEV-UHFFFAOYSA-N 2 2 227.352 -0.044 20 0 BBADLP C[N@@H+]1CCCN(CC[NH+]2CCOCC2)CC1 ZINC000336700856 173015052 /nfs/dbraw/zinc/01/50/52/173015052.db2.gz LLCVHXJUCSRMEV-UHFFFAOYSA-N 2 2 227.352 -0.044 20 0 BBADLP C[C@@H]1C[N@@H+](C)CCN1CC[NH+]1CCOCC1 ZINC000336709335 176267763 /nfs/dbraw/zinc/26/77/63/176267763.db2.gz WUPULHJQHKGPNT-GFCCVEGCSA-N 2 2 227.352 -0.046 20 0 BBADLP C[C@@H]1C[N@H+](C)CCN1CC[NH+]1CCOCC1 ZINC000336709335 176267761 /nfs/dbraw/zinc/26/77/61/176267761.db2.gz WUPULHJQHKGPNT-GFCCVEGCSA-N 2 2 227.352 -0.046 20 0 BBADLP C[C@H]1C[N@@H+](C)CCN1CC[NH+]1CCOCC1 ZINC000336709337 386421706 /nfs/dbraw/zinc/42/17/06/386421706.db2.gz WUPULHJQHKGPNT-LBPRGKRZSA-N 2 2 227.352 -0.046 20 0 BBADLP C[C@H]1C[N@H+](C)CCN1CC[NH+]1CCOCC1 ZINC000336709337 386421703 /nfs/dbraw/zinc/42/17/03/386421703.db2.gz WUPULHJQHKGPNT-LBPRGKRZSA-N 2 2 227.352 -0.046 20 0 BBADLP C[C@@H]1C[N@@H+](CCO)CCN1Cc1[nH+]ccn1C ZINC000336717260 176292621 /nfs/dbraw/zinc/29/26/21/176292621.db2.gz WFIIJPQINSSIPP-LLVKDONJSA-N 2 2 238.335 -0.082 20 0 BBADLP C[C@@H]1C[N@H+](CCO)CCN1Cc1[nH+]ccn1C ZINC000336717260 176292620 /nfs/dbraw/zinc/29/26/20/176292620.db2.gz WFIIJPQINSSIPP-LLVKDONJSA-N 2 2 238.335 -0.082 20 0 BBADLP C[C@H]1C[N@@H+](CCO)CCN1Cc1[nH+]ccn1C ZINC000336717281 177252850 /nfs/dbraw/zinc/25/28/50/177252850.db2.gz WFIIJPQINSSIPP-NSHDSACASA-N 2 2 238.335 -0.082 20 0 BBADLP C[C@H]1C[N@H+](CCO)CCN1Cc1[nH+]ccn1C ZINC000336717281 177252849 /nfs/dbraw/zinc/25/28/49/177252849.db2.gz WFIIJPQINSSIPP-NSHDSACASA-N 2 2 238.335 -0.082 20 0 BBADLP C[C@@H](C(N)=O)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336718400 385844161 /nfs/dbraw/zinc/84/41/61/385844161.db2.gz YJNVCQSAJAZPMQ-GXSJLCMTSA-N 2 2 211.309 -0.112 20 0 BBADLP C[C@@H](C(N)=O)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336718400 385844158 /nfs/dbraw/zinc/84/41/58/385844158.db2.gz YJNVCQSAJAZPMQ-GXSJLCMTSA-N 2 2 211.309 -0.112 20 0 BBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336718400 385844153 /nfs/dbraw/zinc/84/41/53/385844153.db2.gz YJNVCQSAJAZPMQ-GXSJLCMTSA-N 2 2 211.309 -0.112 20 0 BBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336718400 385844150 /nfs/dbraw/zinc/84/41/50/385844150.db2.gz YJNVCQSAJAZPMQ-GXSJLCMTSA-N 2 2 211.309 -0.112 20 0 BBADLP C[C@H](C(N)=O)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336718407 385843294 /nfs/dbraw/zinc/84/32/94/385843294.db2.gz YJNVCQSAJAZPMQ-KOLCDFICSA-N 2 2 211.309 -0.112 20 0 BBADLP C[C@H](C(N)=O)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336718407 385843289 /nfs/dbraw/zinc/84/32/89/385843289.db2.gz YJNVCQSAJAZPMQ-KOLCDFICSA-N 2 2 211.309 -0.112 20 0 BBADLP C[C@H](C(N)=O)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336718407 385843284 /nfs/dbraw/zinc/84/32/84/385843284.db2.gz YJNVCQSAJAZPMQ-KOLCDFICSA-N 2 2 211.309 -0.112 20 0 BBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336718407 385843283 /nfs/dbraw/zinc/84/32/83/385843283.db2.gz YJNVCQSAJAZPMQ-KOLCDFICSA-N 2 2 211.309 -0.112 20 0 BBADLP C[C@H](C(N)=O)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336718408 385843112 /nfs/dbraw/zinc/84/31/12/385843112.db2.gz YJNVCQSAJAZPMQ-MWLCHTKSSA-N 2 2 211.309 -0.112 20 0 BBADLP C[C@H](C(N)=O)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336718408 385843110 /nfs/dbraw/zinc/84/31/10/385843110.db2.gz YJNVCQSAJAZPMQ-MWLCHTKSSA-N 2 2 211.309 -0.112 20 0 BBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336718408 385843106 /nfs/dbraw/zinc/84/31/06/385843106.db2.gz YJNVCQSAJAZPMQ-MWLCHTKSSA-N 2 2 211.309 -0.112 20 0 BBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336718408 385843102 /nfs/dbraw/zinc/84/31/02/385843102.db2.gz YJNVCQSAJAZPMQ-MWLCHTKSSA-N 2 2 211.309 -0.112 20 0 BBADLP C[C@@H](C(N)=O)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336718409 385843707 /nfs/dbraw/zinc/84/37/07/385843707.db2.gz YJNVCQSAJAZPMQ-ONGXEEELSA-N 2 2 211.309 -0.112 20 0 BBADLP C[C@@H](C(N)=O)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336718409 385843704 /nfs/dbraw/zinc/84/37/04/385843704.db2.gz YJNVCQSAJAZPMQ-ONGXEEELSA-N 2 2 211.309 -0.112 20 0 BBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336718409 385843701 /nfs/dbraw/zinc/84/37/01/385843701.db2.gz YJNVCQSAJAZPMQ-ONGXEEELSA-N 2 2 211.309 -0.112 20 0 BBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336718409 385843699 /nfs/dbraw/zinc/84/36/99/385843699.db2.gz YJNVCQSAJAZPMQ-ONGXEEELSA-N 2 2 211.309 -0.112 20 0 BBADLP Cc1[nH+]ccn1CC[N@H+](C)Cc1nnnn1C ZINC000336722342 180252796 /nfs/dbraw/zinc/25/27/96/180252796.db2.gz ZYJZNOJGQOBKLI-UHFFFAOYSA-N 2 2 235.295 -0.153 20 0 BBADLP Cc1[nH+]ccn1CC[N@@H+](C)Cc1nnnn1C ZINC000336722342 180252794 /nfs/dbraw/zinc/25/27/94/180252794.db2.gz ZYJZNOJGQOBKLI-UHFFFAOYSA-N 2 2 235.295 -0.153 20 0 BBADLP Cn1nccc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336726618 173137429 /nfs/dbraw/zinc/13/74/29/173137429.db2.gz CHZIYTFJTPEPBX-LLVKDONJSA-N 2 2 224.308 -0.424 20 0 BBADLP Cn1nccc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336726618 173137426 /nfs/dbraw/zinc/13/74/26/173137426.db2.gz CHZIYTFJTPEPBX-LLVKDONJSA-N 2 2 224.308 -0.424 20 0 BBADLP Cn1nccc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336726620 173165124 /nfs/dbraw/zinc/16/51/24/173165124.db2.gz CHZIYTFJTPEPBX-NSHDSACASA-N 2 2 224.308 -0.424 20 0 BBADLP Cn1nccc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336726620 173165123 /nfs/dbraw/zinc/16/51/23/173165123.db2.gz CHZIYTFJTPEPBX-NSHDSACASA-N 2 2 224.308 -0.424 20 0 BBADLP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336727635 176275108 /nfs/dbraw/zinc/27/51/08/176275108.db2.gz CCJIAYZIBIIGQH-GRYCIOLGSA-N 2 2 227.352 -0.407 20 0 BBADLP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336727635 176275107 /nfs/dbraw/zinc/27/51/07/176275107.db2.gz CCJIAYZIBIIGQH-GRYCIOLGSA-N 2 2 227.352 -0.407 20 0 BBADLP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336727642 176277764 /nfs/dbraw/zinc/27/77/64/176277764.db2.gz CCJIAYZIBIIGQH-IJLUTSLNSA-N 2 2 227.352 -0.407 20 0 BBADLP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336727642 176277763 /nfs/dbraw/zinc/27/77/63/176277763.db2.gz CCJIAYZIBIIGQH-IJLUTSLNSA-N 2 2 227.352 -0.407 20 0 BBADLP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336727643 176276831 /nfs/dbraw/zinc/27/68/31/176276831.db2.gz CCJIAYZIBIIGQH-UTUOFQBUSA-N 2 2 227.352 -0.407 20 0 BBADLP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336727643 176276830 /nfs/dbraw/zinc/27/68/30/176276830.db2.gz CCJIAYZIBIIGQH-UTUOFQBUSA-N 2 2 227.352 -0.407 20 0 BBADLP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336727645 176273265 /nfs/dbraw/zinc/27/32/65/176273265.db2.gz CCJIAYZIBIIGQH-WOPDTQHZSA-N 2 2 227.352 -0.407 20 0 BBADLP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336727645 176273263 /nfs/dbraw/zinc/27/32/63/176273263.db2.gz CCJIAYZIBIIGQH-WOPDTQHZSA-N 2 2 227.352 -0.407 20 0 BBADLP CC[C@@](C)([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(N)=O ZINC000336729415 171175313 /nfs/dbraw/zinc/17/53/13/171175313.db2.gz XJXZOJMWBCTZPE-CMPLNLGQSA-N 2 2 243.351 -0.315 20 0 BBADLP CC[C@@](C)([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(N)=O ZINC000336729415 171175311 /nfs/dbraw/zinc/17/53/11/171175311.db2.gz XJXZOJMWBCTZPE-CMPLNLGQSA-N 2 2 243.351 -0.315 20 0 BBADLP CC[C@](C)([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(N)=O ZINC000336729416 386116530 /nfs/dbraw/zinc/11/65/30/386116530.db2.gz XJXZOJMWBCTZPE-JQWIXIFHSA-N 2 2 243.351 -0.315 20 0 BBADLP CC[C@](C)([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(N)=O ZINC000336729416 386116527 /nfs/dbraw/zinc/11/65/27/386116527.db2.gz XJXZOJMWBCTZPE-JQWIXIFHSA-N 2 2 243.351 -0.315 20 0 BBADLP CC[C@](C)([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(N)=O ZINC000336729417 386116295 /nfs/dbraw/zinc/11/62/95/386116295.db2.gz XJXZOJMWBCTZPE-PWSUYJOCSA-N 2 2 243.351 -0.315 20 0 BBADLP CC[C@](C)([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(N)=O ZINC000336729417 386116294 /nfs/dbraw/zinc/11/62/94/386116294.db2.gz XJXZOJMWBCTZPE-PWSUYJOCSA-N 2 2 243.351 -0.315 20 0 BBADLP CC[C@@](C)([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(N)=O ZINC000336729418 171176716 /nfs/dbraw/zinc/17/67/16/171176716.db2.gz XJXZOJMWBCTZPE-ZYHUDNBSSA-N 2 2 243.351 -0.315 20 0 BBADLP CC[C@@](C)([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(N)=O ZINC000336729418 171176713 /nfs/dbraw/zinc/17/67/13/171176713.db2.gz XJXZOJMWBCTZPE-ZYHUDNBSSA-N 2 2 243.351 -0.315 20 0 BBADLP C[N@@H+](CCNS(C)(=O)=O)CC(C)(C)C[NH3+] ZINC000336731368 386317627 /nfs/dbraw/zinc/31/76/27/386317627.db2.gz FGVMSTJNGVUXJK-UHFFFAOYSA-N 2 2 237.369 -0.548 20 0 BBADLP C[N@H+](CCNS(C)(=O)=O)CC(C)(C)C[NH3+] ZINC000336731368 386317623 /nfs/dbraw/zinc/31/76/23/386317623.db2.gz FGVMSTJNGVUXJK-UHFFFAOYSA-N 2 2 237.369 -0.548 20 0 BBADLP CCCCCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000336732759 386407689 /nfs/dbraw/zinc/40/76/89/386407689.db2.gz ZUKWNNWVDAFNKA-GHMZBOCLSA-N 2 2 245.367 -0.067 20 0 BBADLP CCCCCNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C[NH3+] ZINC000336732759 386407678 /nfs/dbraw/zinc/40/76/78/386407678.db2.gz ZUKWNNWVDAFNKA-GHMZBOCLSA-N 2 2 245.367 -0.067 20 0 BBADLP CCCCCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000336732777 385567202 /nfs/dbraw/zinc/56/72/02/385567202.db2.gz ZUKWNNWVDAFNKA-MNOVXSKESA-N 2 2 245.367 -0.067 20 0 BBADLP CCCCCNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000336732777 385567200 /nfs/dbraw/zinc/56/72/00/385567200.db2.gz ZUKWNNWVDAFNKA-MNOVXSKESA-N 2 2 245.367 -0.067 20 0 BBADLP CCCCCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000336732779 386408119 /nfs/dbraw/zinc/40/81/19/386408119.db2.gz ZUKWNNWVDAFNKA-QWRGUYRKSA-N 2 2 245.367 -0.067 20 0 BBADLP CCCCCNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000336732779 386408111 /nfs/dbraw/zinc/40/81/11/386408111.db2.gz ZUKWNNWVDAFNKA-QWRGUYRKSA-N 2 2 245.367 -0.067 20 0 BBADLP CCCCCNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000336732780 385567231 /nfs/dbraw/zinc/56/72/31/385567231.db2.gz ZUKWNNWVDAFNKA-WDEREUQCSA-N 2 2 245.367 -0.067 20 0 BBADLP CCCCCNC(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+] ZINC000336732780 385567229 /nfs/dbraw/zinc/56/72/29/385567229.db2.gz ZUKWNNWVDAFNKA-WDEREUQCSA-N 2 2 245.367 -0.067 20 0 BBADLP CN(C)C(=O)NCC[N@@H+](C)CC(C)(C)[NH3+] ZINC000336735194 385692813 /nfs/dbraw/zinc/69/28/13/385692813.db2.gz HTURGSHZFCKYLD-UHFFFAOYSA-N 2 2 216.329 -0.073 20 0 BBADLP CN(C)C(=O)NCC[N@H+](C)CC(C)(C)[NH3+] ZINC000336735194 385692806 /nfs/dbraw/zinc/69/28/06/385692806.db2.gz HTURGSHZFCKYLD-UHFFFAOYSA-N 2 2 216.329 -0.073 20 0 BBADLP Cc1nc(N2CC[NH2+][C@@H](C(N)=O)C2)cc[nH+]1 ZINC000336740077 132296750 /nfs/dbraw/zinc/29/67/50/132296750.db2.gz PRKGXUMEDJLMPO-MRVPVSSYSA-N 2 2 221.264 -0.951 20 0 BBADLP Cc1nc(N2CC[NH2+][C@H](C(N)=O)C2)cc[nH+]1 ZINC000336740078 132296665 /nfs/dbraw/zinc/29/66/65/132296665.db2.gz PRKGXUMEDJLMPO-QMMMGPOBSA-N 2 2 221.264 -0.951 20 0 BBADLP [NH3+]CC[N@@H+](CCO)CCOCC(F)(F)F ZINC000336746311 181391057 /nfs/dbraw/zinc/39/10/57/181391057.db2.gz BUWVAGLXIAPAOO-UHFFFAOYSA-N 2 2 230.230 -0.182 20 0 BBADLP [NH3+]CC[N@H+](CCO)CCOCC(F)(F)F ZINC000336746311 181391055 /nfs/dbraw/zinc/39/10/55/181391055.db2.gz BUWVAGLXIAPAOO-UHFFFAOYSA-N 2 2 230.230 -0.182 20 0 BBADLP C[N@@H+](CC(C)(C)[NH3+])CC(C)(CO)CO ZINC000336746345 411504987 /nfs/dbraw/zinc/50/49/87/411504987.db2.gz BVHKCVAEGHGLMX-UHFFFAOYSA-N 2 2 204.314 -0.354 20 0 BBADLP C[N@H+](CC(C)(C)[NH3+])CC(C)(CO)CO ZINC000336746345 411504983 /nfs/dbraw/zinc/50/49/83/411504983.db2.gz BVHKCVAEGHGLMX-UHFFFAOYSA-N 2 2 204.314 -0.354 20 0 BBADLP CNC(=O)NC(=O)CC[N@@H+](C)[C@H](C)C[NH3+] ZINC000336751353 173286622 /nfs/dbraw/zinc/28/66/22/173286622.db2.gz VDBKXQYQPSPWCE-SSDOTTSWSA-N 2 2 216.285 -0.889 20 0 BBADLP CNC(=O)NC(=O)CC[N@H+](C)[C@H](C)C[NH3+] ZINC000336751353 173286621 /nfs/dbraw/zinc/28/66/21/173286621.db2.gz VDBKXQYQPSPWCE-SSDOTTSWSA-N 2 2 216.285 -0.889 20 0 BBADLP CNC(=O)NC(=O)CC[N@@H+](C)[C@@H](C)C[NH3+] ZINC000336751355 173286593 /nfs/dbraw/zinc/28/65/93/173286593.db2.gz VDBKXQYQPSPWCE-ZETCQYMHSA-N 2 2 216.285 -0.889 20 0 BBADLP CNC(=O)NC(=O)CC[N@H+](C)[C@@H](C)C[NH3+] ZINC000336751355 173286592 /nfs/dbraw/zinc/28/65/92/173286592.db2.gz VDBKXQYQPSPWCE-ZETCQYMHSA-N 2 2 216.285 -0.889 20 0 BBADLP [NH3+]CCCOC1CC[NH+](CC[NH3+])CC1 ZINC000336752519 181383058 /nfs/dbraw/zinc/38/30/58/181383058.db2.gz GYWUXAOMCOPQNK-UHFFFAOYSA-N 3 2 201.314 -0.225 20 0 BBADLP CNS(=O)(=O)CCC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000336756270 386561963 /nfs/dbraw/zinc/56/19/63/386561963.db2.gz YLEAOPWUVSLSTC-SECBINFHSA-N 2 2 235.353 -0.651 20 0 BBADLP CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000336756270 386561959 /nfs/dbraw/zinc/56/19/59/386561959.db2.gz YLEAOPWUVSLSTC-SECBINFHSA-N 2 2 235.353 -0.651 20 0 BBADLP CNS(=O)(=O)CCC[N@H+]1CCC[C@H]1C[NH3+] ZINC000336756271 384847263 /nfs/dbraw/zinc/84/72/63/384847263.db2.gz YLEAOPWUVSLSTC-VIFPVBQESA-N 2 2 235.353 -0.651 20 0 BBADLP CNS(=O)(=O)CCC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000336756271 384847257 /nfs/dbraw/zinc/84/72/57/384847257.db2.gz YLEAOPWUVSLSTC-VIFPVBQESA-N 2 2 235.353 -0.651 20 0 BBADLP [NH3+]CC[N@@H+](CCO)CCOCC(F)F ZINC000336759768 181390904 /nfs/dbraw/zinc/39/09/04/181390904.db2.gz LQGSEVMGMKTGGC-UHFFFAOYSA-N 2 2 212.240 -0.479 20 0 BBADLP [NH3+]CC[N@H+](CCO)CCOCC(F)F ZINC000336759768 181390900 /nfs/dbraw/zinc/39/09/00/181390900.db2.gz LQGSEVMGMKTGGC-UHFFFAOYSA-N 2 2 212.240 -0.479 20 0 BBADLP CC[N@@H+](CCO)CC[NH2+]CC1(C)COC1 ZINC000336760685 386716597 /nfs/dbraw/zinc/71/65/97/386716597.db2.gz LZGIXFYYSCRPJO-UHFFFAOYSA-N 2 2 216.325 -0.073 20 0 BBADLP CC[N@H+](CCO)CC[NH2+]CC1(C)COC1 ZINC000336760685 386716593 /nfs/dbraw/zinc/71/65/93/386716593.db2.gz LZGIXFYYSCRPJO-UHFFFAOYSA-N 2 2 216.325 -0.073 20 0 BBADLP Cc1cc(NC[C@]2(O)CC[N@H+](C)C2)nc[nH+]1 ZINC000336760811 411653386 /nfs/dbraw/zinc/65/33/86/411653386.db2.gz JXMVVSQNUXYKGQ-LLVKDONJSA-N 2 2 222.292 0.264 20 0 BBADLP Cc1cc(NC[C@]2(O)CC[N@@H+](C)C2)nc[nH+]1 ZINC000336760811 411653382 /nfs/dbraw/zinc/65/33/82/411653382.db2.gz JXMVVSQNUXYKGQ-LLVKDONJSA-N 2 2 222.292 0.264 20 0 BBADLP Cc1cc(NC[C@@]2(O)CC[N@H+](C)C2)nc[nH+]1 ZINC000336760814 411650782 /nfs/dbraw/zinc/65/07/82/411650782.db2.gz JXMVVSQNUXYKGQ-NSHDSACASA-N 2 2 222.292 0.264 20 0 BBADLP Cc1cc(NC[C@@]2(O)CC[N@@H+](C)C2)nc[nH+]1 ZINC000336760814 411650777 /nfs/dbraw/zinc/65/07/77/411650777.db2.gz JXMVVSQNUXYKGQ-NSHDSACASA-N 2 2 222.292 0.264 20 0 BBADLP Cn1cncc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336762085 173139026 /nfs/dbraw/zinc/13/90/26/173139026.db2.gz LACAFWFESBVCNS-LLVKDONJSA-N 2 2 224.308 -0.424 20 0 BBADLP Cn1cncc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336762085 173139025 /nfs/dbraw/zinc/13/90/25/173139025.db2.gz LACAFWFESBVCNS-LLVKDONJSA-N 2 2 224.308 -0.424 20 0 BBADLP Cn1cncc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336762086 173165961 /nfs/dbraw/zinc/16/59/61/173165961.db2.gz LACAFWFESBVCNS-NSHDSACASA-N 2 2 224.308 -0.424 20 0 BBADLP Cn1cncc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336762086 173165958 /nfs/dbraw/zinc/16/59/58/173165958.db2.gz LACAFWFESBVCNS-NSHDSACASA-N 2 2 224.308 -0.424 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCOCCO ZINC000336763712 176276928 /nfs/dbraw/zinc/27/69/28/176276928.db2.gz PLNSUNWSBMVNMF-GHMZBOCLSA-N 2 2 216.325 -0.075 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCOCCO ZINC000336763712 176276926 /nfs/dbraw/zinc/27/69/26/176276926.db2.gz PLNSUNWSBMVNMF-GHMZBOCLSA-N 2 2 216.325 -0.075 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCOCCO ZINC000336763715 176272096 /nfs/dbraw/zinc/27/20/96/176272096.db2.gz PLNSUNWSBMVNMF-MNOVXSKESA-N 2 2 216.325 -0.075 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCOCCO ZINC000336763715 176272094 /nfs/dbraw/zinc/27/20/94/176272094.db2.gz PLNSUNWSBMVNMF-MNOVXSKESA-N 2 2 216.325 -0.075 20 0 BBADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCOCCO ZINC000336763716 177236512 /nfs/dbraw/zinc/23/65/12/177236512.db2.gz PLNSUNWSBMVNMF-QWRGUYRKSA-N 2 2 216.325 -0.075 20 0 BBADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCOCCO ZINC000336763716 177236511 /nfs/dbraw/zinc/23/65/11/177236511.db2.gz PLNSUNWSBMVNMF-QWRGUYRKSA-N 2 2 216.325 -0.075 20 0 BBADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCOCCO ZINC000336763718 177237240 /nfs/dbraw/zinc/23/72/40/177237240.db2.gz PLNSUNWSBMVNMF-WDEREUQCSA-N 2 2 216.325 -0.075 20 0 BBADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCOCCO ZINC000336763718 177237239 /nfs/dbraw/zinc/23/72/39/177237239.db2.gz PLNSUNWSBMVNMF-WDEREUQCSA-N 2 2 216.325 -0.075 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCC(=O)NC1 ZINC000336765988 176274170 /nfs/dbraw/zinc/27/41/70/176274170.db2.gz RRNGYWRYESMFCC-BBBLOLIVSA-N 2 2 211.309 -0.195 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCC(=O)NC1 ZINC000336765988 176274168 /nfs/dbraw/zinc/27/41/68/176274168.db2.gz RRNGYWRYESMFCC-BBBLOLIVSA-N 2 2 211.309 -0.195 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCC(=O)NC1 ZINC000336765989 176279229 /nfs/dbraw/zinc/27/92/29/176279229.db2.gz RRNGYWRYESMFCC-KXUCPTDWSA-N 2 2 211.309 -0.195 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCC(=O)NC1 ZINC000336765989 176279228 /nfs/dbraw/zinc/27/92/28/176279228.db2.gz RRNGYWRYESMFCC-KXUCPTDWSA-N 2 2 211.309 -0.195 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1 ZINC000336765990 176277314 /nfs/dbraw/zinc/27/73/14/176277314.db2.gz RRNGYWRYESMFCC-OPRDCNLKSA-N 2 2 211.309 -0.195 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1 ZINC000336765990 176277312 /nfs/dbraw/zinc/27/73/12/176277312.db2.gz RRNGYWRYESMFCC-OPRDCNLKSA-N 2 2 211.309 -0.195 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCC(=O)NC1 ZINC000336765991 176274427 /nfs/dbraw/zinc/27/44/27/176274427.db2.gz RRNGYWRYESMFCC-UTLUCORTSA-N 2 2 211.309 -0.195 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCC(=O)NC1 ZINC000336765991 176274426 /nfs/dbraw/zinc/27/44/26/176274426.db2.gz RRNGYWRYESMFCC-UTLUCORTSA-N 2 2 211.309 -0.195 20 0 BBADLP Cc1nc(NCC[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000336767130 411166677 /nfs/dbraw/zinc/16/66/77/411166677.db2.gz PKOIZVCKWWPIGQ-UHFFFAOYSA-N 2 2 224.312 0.220 20 0 BBADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@H](O)COC)[C@@H](C)C1 ZINC000336770699 170035126 /nfs/dbraw/zinc/03/51/26/170035126.db2.gz VVJFOIJGYGALIO-AXFHLTTASA-N 2 2 216.325 -0.077 20 0 BBADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H](O)COC)[C@@H](C)C1 ZINC000336770699 170035125 /nfs/dbraw/zinc/03/51/25/170035125.db2.gz VVJFOIJGYGALIO-AXFHLTTASA-N 2 2 216.325 -0.077 20 0 BBADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC000336770704 170037747 /nfs/dbraw/zinc/03/77/47/170037747.db2.gz VVJFOIJGYGALIO-HBNTYKKESA-N 2 2 216.325 -0.077 20 0 BBADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC000336770704 170037745 /nfs/dbraw/zinc/03/77/45/170037745.db2.gz VVJFOIJGYGALIO-HBNTYKKESA-N 2 2 216.325 -0.077 20 0 BBADLP Cc1n[nH]cc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336771245 386034072 /nfs/dbraw/zinc/03/40/72/386034072.db2.gz UHNMKBNAOKWCIZ-LLVKDONJSA-N 2 2 224.308 -0.126 20 0 BBADLP Cc1n[nH]cc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336771245 386034068 /nfs/dbraw/zinc/03/40/68/386034068.db2.gz UHNMKBNAOKWCIZ-LLVKDONJSA-N 2 2 224.308 -0.126 20 0 BBADLP Cc1n[nH]cc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336771247 386034325 /nfs/dbraw/zinc/03/43/25/386034325.db2.gz UHNMKBNAOKWCIZ-NSHDSACASA-N 2 2 224.308 -0.126 20 0 BBADLP Cc1n[nH]cc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336771247 386034319 /nfs/dbraw/zinc/03/43/19/386034319.db2.gz UHNMKBNAOKWCIZ-NSHDSACASA-N 2 2 224.308 -0.126 20 0 BBADLP CC[NH+]1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000336771863 353314928 /nfs/dbraw/zinc/31/49/28/353314928.db2.gz XCLZTLSSJKGMIR-JTQLQIEISA-N 2 2 211.309 -0.051 20 0 BBADLP CC[NH+]1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000336771865 353315286 /nfs/dbraw/zinc/31/52/86/353315286.db2.gz XCLZTLSSJKGMIR-SNVBAGLBSA-N 2 2 211.309 -0.051 20 0 BBADLP Cc1nc(NC[C@]2(O)CC[N@H+](C)C2)cc[nH+]1 ZINC000336772402 490102532 /nfs/dbraw/zinc/10/25/32/490102532.db2.gz VIXNXVUWSSITMC-LLVKDONJSA-N 2 2 222.292 0.264 20 0 BBADLP Cc1nc(NC[C@]2(O)CC[N@@H+](C)C2)cc[nH+]1 ZINC000336772402 490102527 /nfs/dbraw/zinc/10/25/27/490102527.db2.gz VIXNXVUWSSITMC-LLVKDONJSA-N 2 2 222.292 0.264 20 0 BBADLP Cc1nc(NC[C@@]2(O)CC[N@H+](C)C2)cc[nH+]1 ZINC000336772405 411173370 /nfs/dbraw/zinc/17/33/70/411173370.db2.gz VIXNXVUWSSITMC-NSHDSACASA-N 2 2 222.292 0.264 20 0 BBADLP Cc1nc(NC[C@@]2(O)CC[N@@H+](C)C2)cc[nH+]1 ZINC000336772405 411173365 /nfs/dbraw/zinc/17/33/65/411173365.db2.gz VIXNXVUWSSITMC-NSHDSACASA-N 2 2 222.292 0.264 20 0 BBADLP COCCC[N@@H+](C)CC[NH2+][C@@H](C)CC(N)=O ZINC000336774727 174215134 /nfs/dbraw/zinc/21/51/34/174215134.db2.gz XGJIWEKWPUPNSR-JTQLQIEISA-N 2 2 231.340 -0.192 20 0 BBADLP COCCC[N@H+](C)CC[NH2+][C@@H](C)CC(N)=O ZINC000336774727 174215131 /nfs/dbraw/zinc/21/51/31/174215131.db2.gz XGJIWEKWPUPNSR-JTQLQIEISA-N 2 2 231.340 -0.192 20 0 BBADLP COCCC[N@@H+](C)CC[NH2+][C@H](C)CC(N)=O ZINC000336774729 174216759 /nfs/dbraw/zinc/21/67/59/174216759.db2.gz XGJIWEKWPUPNSR-SNVBAGLBSA-N 2 2 231.340 -0.192 20 0 BBADLP COCCC[N@H+](C)CC[NH2+][C@H](C)CC(N)=O ZINC000336774729 174216757 /nfs/dbraw/zinc/21/67/57/174216757.db2.gz XGJIWEKWPUPNSR-SNVBAGLBSA-N 2 2 231.340 -0.192 20 0 BBADLP COCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC(N)=O)C1 ZINC000336775807 174313532 /nfs/dbraw/zinc/31/35/32/174313532.db2.gz CTFBZHVECPOIGY-NXEZZACHSA-N 2 2 229.324 -0.439 20 0 BBADLP COCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC(N)=O)C1 ZINC000336775807 174313531 /nfs/dbraw/zinc/31/35/31/174313531.db2.gz CTFBZHVECPOIGY-NXEZZACHSA-N 2 2 229.324 -0.439 20 0 BBADLP COCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(N)=O)C1 ZINC000336775808 174314577 /nfs/dbraw/zinc/31/45/77/174314577.db2.gz CTFBZHVECPOIGY-UWVGGRQHSA-N 2 2 229.324 -0.439 20 0 BBADLP COCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(N)=O)C1 ZINC000336775808 174314575 /nfs/dbraw/zinc/31/45/75/174314575.db2.gz CTFBZHVECPOIGY-UWVGGRQHSA-N 2 2 229.324 -0.439 20 0 BBADLP COCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC(N)=O)C1 ZINC000336775809 174313578 /nfs/dbraw/zinc/31/35/78/174313578.db2.gz CTFBZHVECPOIGY-VHSXEESVSA-N 2 2 229.324 -0.439 20 0 BBADLP COCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC(N)=O)C1 ZINC000336775809 174313577 /nfs/dbraw/zinc/31/35/77/174313577.db2.gz CTFBZHVECPOIGY-VHSXEESVSA-N 2 2 229.324 -0.439 20 0 BBADLP COCC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(N)=O)C1 ZINC000336775810 174316293 /nfs/dbraw/zinc/31/62/93/174316293.db2.gz CTFBZHVECPOIGY-ZJUUUORDSA-N 2 2 229.324 -0.439 20 0 BBADLP COCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(N)=O)C1 ZINC000336775810 174316291 /nfs/dbraw/zinc/31/62/91/174316291.db2.gz CTFBZHVECPOIGY-ZJUUUORDSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@@H]([NH2+]Cc1c[nH+]cn1C)C(=O)NCCF ZINC000336777054 386408630 /nfs/dbraw/zinc/40/86/30/386408630.db2.gz HLARBHASBVUPBQ-MRVPVSSYSA-N 2 2 228.271 -0.016 20 0 BBADLP C[C@H]([NH2+]Cc1c[nH+]cn1C)C(=O)NCCF ZINC000336777055 386409581 /nfs/dbraw/zinc/40/95/81/386409581.db2.gz HLARBHASBVUPBQ-QMMMGPOBSA-N 2 2 228.271 -0.016 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCNS(C)(=O)=O ZINC000336779699 176277538 /nfs/dbraw/zinc/27/75/38/176277538.db2.gz PHEOEHUMKVKICE-NXEZZACHSA-N 2 2 249.380 -0.535 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCNS(C)(=O)=O ZINC000336779699 176277536 /nfs/dbraw/zinc/27/75/36/176277536.db2.gz PHEOEHUMKVKICE-NXEZZACHSA-N 2 2 249.380 -0.535 20 0 BBADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCNS(C)(=O)=O ZINC000336779700 177235499 /nfs/dbraw/zinc/23/54/99/177235499.db2.gz PHEOEHUMKVKICE-UWVGGRQHSA-N 2 2 249.380 -0.535 20 0 BBADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCNS(C)(=O)=O ZINC000336779700 177235497 /nfs/dbraw/zinc/23/54/97/177235497.db2.gz PHEOEHUMKVKICE-UWVGGRQHSA-N 2 2 249.380 -0.535 20 0 BBADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCNS(C)(=O)=O ZINC000336779701 177237056 /nfs/dbraw/zinc/23/70/56/177237056.db2.gz PHEOEHUMKVKICE-VHSXEESVSA-N 2 2 249.380 -0.535 20 0 BBADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCNS(C)(=O)=O ZINC000336779701 177237055 /nfs/dbraw/zinc/23/70/55/177237055.db2.gz PHEOEHUMKVKICE-VHSXEESVSA-N 2 2 249.380 -0.535 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCNS(C)(=O)=O ZINC000336779702 176272040 /nfs/dbraw/zinc/27/20/40/176272040.db2.gz PHEOEHUMKVKICE-ZJUUUORDSA-N 2 2 249.380 -0.535 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCNS(C)(=O)=O ZINC000336779702 176272039 /nfs/dbraw/zinc/27/20/39/176272039.db2.gz PHEOEHUMKVKICE-ZJUUUORDSA-N 2 2 249.380 -0.535 20 0 BBADLP C[N@@H+](CCC[NH+]1CCCC1)CC(=O)NC(N)=O ZINC000337279541 386699300 /nfs/dbraw/zinc/69/93/00/386699300.db2.gz UICPKYUEPZUBCQ-UHFFFAOYSA-N 2 2 242.323 -0.401 20 0 BBADLP C[N@H+](CCC[NH+]1CCCC1)CC(=O)NC(N)=O ZINC000337279541 386699294 /nfs/dbraw/zinc/69/92/94/386699294.db2.gz UICPKYUEPZUBCQ-UHFFFAOYSA-N 2 2 242.323 -0.401 20 0 BBADLP C[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CCC2)C1 ZINC000337590106 173107393 /nfs/dbraw/zinc/10/73/93/173107393.db2.gz MLXPQXWETADHIT-JTQLQIEISA-N 2 2 227.308 -0.861 20 0 BBADLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CCC2)C1 ZINC000337590106 173107390 /nfs/dbraw/zinc/10/73/90/173107390.db2.gz MLXPQXWETADHIT-JTQLQIEISA-N 2 2 227.308 -0.861 20 0 BBADLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCC2)C1 ZINC000337590107 173100118 /nfs/dbraw/zinc/10/01/18/173100118.db2.gz MLXPQXWETADHIT-SNVBAGLBSA-N 2 2 227.308 -0.861 20 0 BBADLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCC2)C1 ZINC000337590107 173100115 /nfs/dbraw/zinc/10/01/15/173100115.db2.gz MLXPQXWETADHIT-SNVBAGLBSA-N 2 2 227.308 -0.861 20 0 BBADLP CC[NH+](CC)CCC[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000338337831 385971813 /nfs/dbraw/zinc/97/18/13/385971813.db2.gz DBZXZHQEHRPSPM-GHMZBOCLSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[NH+](CC)CCC[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000338337832 385970345 /nfs/dbraw/zinc/97/03/45/385970345.db2.gz DBZXZHQEHRPSPM-PHIMTYICSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[NH+](CC)CCC[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000338337832 385970340 /nfs/dbraw/zinc/97/03/40/385970340.db2.gz DBZXZHQEHRPSPM-PHIMTYICSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[NH+](CC)CCC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000338337833 385970662 /nfs/dbraw/zinc/97/06/62/385970662.db2.gz DBZXZHQEHRPSPM-QWRGUYRKSA-N 2 2 216.325 -0.244 20 0 BBADLP c1cn(CC[N@H+]2C[C@@H]3COC[C@H](C2)O3)c[nH+]1 ZINC000338385458 385983817 /nfs/dbraw/zinc/98/38/17/385983817.db2.gz UZUUSCAVBAEYRU-PHIMTYICSA-N 2 2 223.276 -0.017 20 0 BBADLP c1cn(CC[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c[nH+]1 ZINC000338385458 385983812 /nfs/dbraw/zinc/98/38/12/385983812.db2.gz UZUUSCAVBAEYRU-PHIMTYICSA-N 2 2 223.276 -0.017 20 0 BBADLP CC[C@H](O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000338905919 386176100 /nfs/dbraw/zinc/17/61/00/386176100.db2.gz STKPLDVDWJNNRM-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP COC[C@@H](C(N)=O)[N@@H+](C)CCn1cc[nH+]c1C ZINC000339362448 386386987 /nfs/dbraw/zinc/38/69/87/386386987.db2.gz NQHJTBHHDFOGET-JTQLQIEISA-N 2 2 240.307 -0.376 20 0 BBADLP COC[C@@H](C(N)=O)[N@H+](C)CCn1cc[nH+]c1C ZINC000339362448 386386973 /nfs/dbraw/zinc/38/69/73/386386973.db2.gz NQHJTBHHDFOGET-JTQLQIEISA-N 2 2 240.307 -0.376 20 0 BBADLP COC[C@H](C(N)=O)[N@@H+](C)CCn1cc[nH+]c1C ZINC000339362449 386385899 /nfs/dbraw/zinc/38/58/99/386385899.db2.gz NQHJTBHHDFOGET-SNVBAGLBSA-N 2 2 240.307 -0.376 20 0 BBADLP COC[C@H](C(N)=O)[N@H+](C)CCn1cc[nH+]c1C ZINC000339362449 386385893 /nfs/dbraw/zinc/38/58/93/386385893.db2.gz NQHJTBHHDFOGET-SNVBAGLBSA-N 2 2 240.307 -0.376 20 0 BBADLP COC[C@@H](C(N)=O)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000339363559 386387138 /nfs/dbraw/zinc/38/71/38/386387138.db2.gz RNMSUBNZNODAST-JTQLQIEISA-N 2 2 240.307 -0.295 20 0 BBADLP COC[C@@H](C(N)=O)[N@H+](C)CCCn1cc[nH+]c1 ZINC000339363559 386387135 /nfs/dbraw/zinc/38/71/35/386387135.db2.gz RNMSUBNZNODAST-JTQLQIEISA-N 2 2 240.307 -0.295 20 0 BBADLP COC[C@H](C(N)=O)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000339363564 386385641 /nfs/dbraw/zinc/38/56/41/386385641.db2.gz RNMSUBNZNODAST-SNVBAGLBSA-N 2 2 240.307 -0.295 20 0 BBADLP COC[C@H](C(N)=O)[N@H+](C)CCCn1cc[nH+]c1 ZINC000339363564 386385637 /nfs/dbraw/zinc/38/56/37/386385637.db2.gz RNMSUBNZNODAST-SNVBAGLBSA-N 2 2 240.307 -0.295 20 0 BBADLP COC[C@H](C(N)=O)[N@@H+](C)CCn1cc[nH+]c1 ZINC000339364072 386385989 /nfs/dbraw/zinc/38/59/89/386385989.db2.gz WTSQLHCWGBIDKM-SECBINFHSA-N 2 2 226.280 -0.685 20 0 BBADLP COC[C@H](C(N)=O)[N@H+](C)CCn1cc[nH+]c1 ZINC000339364072 386385987 /nfs/dbraw/zinc/38/59/87/386385987.db2.gz WTSQLHCWGBIDKM-SECBINFHSA-N 2 2 226.280 -0.685 20 0 BBADLP COC[C@@H](C(N)=O)[N@@H+](C)CCn1cc[nH+]c1 ZINC000339364074 386385789 /nfs/dbraw/zinc/38/57/89/386385789.db2.gz WTSQLHCWGBIDKM-VIFPVBQESA-N 2 2 226.280 -0.685 20 0 BBADLP COC[C@@H](C(N)=O)[N@H+](C)CCn1cc[nH+]c1 ZINC000339364074 386385784 /nfs/dbraw/zinc/38/57/84/386385784.db2.gz WTSQLHCWGBIDKM-VIFPVBQESA-N 2 2 226.280 -0.685 20 0 BBADLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H](C)CO ZINC000339626116 386496538 /nfs/dbraw/zinc/49/65/38/386496538.db2.gz BMWAUHKKXNRQEZ-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H](C)CO ZINC000339626116 386496532 /nfs/dbraw/zinc/49/65/32/386496532.db2.gz BMWAUHKKXNRQEZ-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H](C)CO ZINC000339626117 386495415 /nfs/dbraw/zinc/49/54/15/386495415.db2.gz BMWAUHKKXNRQEZ-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H](C)CO ZINC000339626117 386495411 /nfs/dbraw/zinc/49/54/11/386495411.db2.gz BMWAUHKKXNRQEZ-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP C[C@H](C(=O)NCCC[NH+](C)C)[NH+]1CCOCC1 ZINC000339780370 386622917 /nfs/dbraw/zinc/62/29/17/386622917.db2.gz YVAAJCFVWUYGPC-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP C[C@@H](C(=O)NCCC[NH+](C)C)[NH+]1CCOCC1 ZINC000339780371 386622983 /nfs/dbraw/zinc/62/29/83/386622983.db2.gz YVAAJCFVWUYGPC-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP CC[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339813286 386657826 /nfs/dbraw/zinc/65/78/26/386657826.db2.gz FKCHRIREIOPVTG-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP CC[N@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339813286 386657820 /nfs/dbraw/zinc/65/78/20/386657820.db2.gz FKCHRIREIOPVTG-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP CC[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339813287 386656740 /nfs/dbraw/zinc/65/67/40/386656740.db2.gz FKCHRIREIOPVTG-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP CC[N@H+](C)CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339813287 386656733 /nfs/dbraw/zinc/65/67/33/386656733.db2.gz FKCHRIREIOPVTG-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP CN(Cc1[nH+]ccn1C)C(=O)C[NH+](C)C ZINC000340007168 187330798 /nfs/dbraw/zinc/33/07/98/187330798.db2.gz WAZQGFZTAIAKOI-UHFFFAOYSA-N 2 2 210.281 -0.060 20 0 BBADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1COC[C@@H]1O ZINC000340286697 386212090 /nfs/dbraw/zinc/21/20/90/386212090.db2.gz UAFCBPNAIQDJJA-MNOVXSKESA-N 2 2 225.292 -0.035 20 0 BBADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1COC[C@@H]1O ZINC000340286697 386212087 /nfs/dbraw/zinc/21/20/87/386212087.db2.gz UAFCBPNAIQDJJA-MNOVXSKESA-N 2 2 225.292 -0.035 20 0 BBADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1COC[C@@H]1O ZINC000340286705 386212811 /nfs/dbraw/zinc/21/28/11/386212811.db2.gz UAFCBPNAIQDJJA-QWRGUYRKSA-N 2 2 225.292 -0.035 20 0 BBADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1COC[C@@H]1O ZINC000340286705 386212807 /nfs/dbraw/zinc/21/28/07/386212807.db2.gz UAFCBPNAIQDJJA-QWRGUYRKSA-N 2 2 225.292 -0.035 20 0 BBADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1COC[C@H]1O ZINC000340286707 386211975 /nfs/dbraw/zinc/21/19/75/386211975.db2.gz UAFCBPNAIQDJJA-WDEREUQCSA-N 2 2 225.292 -0.035 20 0 BBADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1COC[C@H]1O ZINC000340286707 386211970 /nfs/dbraw/zinc/21/19/70/386211970.db2.gz UAFCBPNAIQDJJA-WDEREUQCSA-N 2 2 225.292 -0.035 20 0 BBADLP C[NH+](C)C1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000340290508 388488373 /nfs/dbraw/zinc/48/83/73/388488373.db2.gz PGMDLIWPHXMQME-GHMZBOCLSA-N 2 2 214.309 -0.228 20 0 BBADLP C[NH+](C)C1CC[NH+]([C@@H]2COC[C@@H]2O)CC1 ZINC000340290509 388488881 /nfs/dbraw/zinc/48/88/81/388488881.db2.gz PGMDLIWPHXMQME-MNOVXSKESA-N 2 2 214.309 -0.228 20 0 BBADLP C[NH+](C)C1CC[NH+]([C@H]2COC[C@@H]2O)CC1 ZINC000340290512 388488473 /nfs/dbraw/zinc/48/84/73/388488473.db2.gz PGMDLIWPHXMQME-QWRGUYRKSA-N 2 2 214.309 -0.228 20 0 BBADLP C[NH+](C)C1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000340290514 388488643 /nfs/dbraw/zinc/48/86/43/388488643.db2.gz PGMDLIWPHXMQME-WDEREUQCSA-N 2 2 214.309 -0.228 20 0 BBADLP Cc1c[nH+]c(CNC[C@]2(O)CC[N@@H+](C)C2)n1C ZINC000341271287 386873070 /nfs/dbraw/zinc/87/30/70/386873070.db2.gz LDEXCJNYUOPBHZ-GFCCVEGCSA-N 2 2 238.335 -0.115 20 0 BBADLP Cc1c[nH+]c(CNC[C@]2(O)CC[N@H+](C)C2)n1C ZINC000341271287 386873067 /nfs/dbraw/zinc/87/30/67/386873067.db2.gz LDEXCJNYUOPBHZ-GFCCVEGCSA-N 2 2 238.335 -0.115 20 0 BBADLP Cc1c[nH+]c(CNC[C@@]2(O)CC[N@@H+](C)C2)n1C ZINC000341271291 386873154 /nfs/dbraw/zinc/87/31/54/386873154.db2.gz LDEXCJNYUOPBHZ-LBPRGKRZSA-N 2 2 238.335 -0.115 20 0 BBADLP Cc1c[nH+]c(CNC[C@@]2(O)CC[N@H+](C)C2)n1C ZINC000341271291 386873149 /nfs/dbraw/zinc/87/31/49/386873149.db2.gz LDEXCJNYUOPBHZ-LBPRGKRZSA-N 2 2 238.335 -0.115 20 0 BBADLP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000342094276 170078042 /nfs/dbraw/zinc/07/80/42/170078042.db2.gz FMRSTVSZHNEUTR-MRVPVSSYSA-N 2 2 242.323 -0.308 20 0 BBADLP CCNC(=O)NC(=O)[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000342094277 170078940 /nfs/dbraw/zinc/07/89/40/170078940.db2.gz FMRSTVSZHNEUTR-QMMMGPOBSA-N 2 2 242.323 -0.308 20 0 BBADLP O=C(C1C[NH2+]C1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000342099325 385926209 /nfs/dbraw/zinc/92/62/09/385926209.db2.gz JHXPNGAHVYKVQB-UHFFFAOYSA-N 2 2 249.318 -0.727 20 0 BBADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CC([NH+](C)C)C1 ZINC000342121206 170000266 /nfs/dbraw/zinc/00/02/66/170000266.db2.gz CBYOBSJVOFNHHZ-LLVKDONJSA-N 2 2 241.335 -0.521 20 0 BBADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC([NH+](C)C)C1 ZINC000342121206 170000264 /nfs/dbraw/zinc/00/02/64/170000264.db2.gz CBYOBSJVOFNHHZ-LLVKDONJSA-N 2 2 241.335 -0.521 20 0 BBADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CC([NH+](C)C)C1 ZINC000342121207 170001646 /nfs/dbraw/zinc/00/16/46/170001646.db2.gz CBYOBSJVOFNHHZ-NSHDSACASA-N 2 2 241.335 -0.521 20 0 BBADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CC([NH+](C)C)C1 ZINC000342121207 170001645 /nfs/dbraw/zinc/00/16/45/170001645.db2.gz CBYOBSJVOFNHHZ-NSHDSACASA-N 2 2 241.335 -0.521 20 0 BBADLP Cc1cc(NC(=O)C[NH2+]CC2([NH3+])CCC2)no1 ZINC000342122092 412354313 /nfs/dbraw/zinc/35/43/13/412354313.db2.gz HLNHCFXEFMUVPY-UHFFFAOYSA-N 2 2 238.291 0.393 20 0 BBADLP CCNC(=O)NC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342123012 170077277 /nfs/dbraw/zinc/07/72/77/170077277.db2.gz JEJBXFSQAVZGMC-UHFFFAOYSA-N 2 2 228.296 -0.697 20 0 BBADLP [NH3+]C1(C[NH2+]CC(=O)Nc2ccncc2)CCC1 ZINC000342123773 181331386 /nfs/dbraw/zinc/33/13/86/181331386.db2.gz CPZHPUGJFNQCRN-UHFFFAOYSA-N 2 2 234.303 -0.087 20 0 BBADLP CNC(=O)NC(=O)[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000342125881 173288084 /nfs/dbraw/zinc/28/80/84/173288084.db2.gz LDYGMCFMKQZVOV-SSDOTTSWSA-N 2 2 228.296 -0.699 20 0 BBADLP CNC(=O)NC(=O)[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000342125885 173288696 /nfs/dbraw/zinc/28/86/96/173288696.db2.gz LDYGMCFMKQZVOV-ZETCQYMHSA-N 2 2 228.296 -0.699 20 0 BBADLP COCCCNC(=O)[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000342133433 174244389 /nfs/dbraw/zinc/24/43/89/174244389.db2.gz NFXJSUUFUIDTMB-JTQLQIEISA-N 2 2 243.351 -0.001 20 0 BBADLP COCCCNC(=O)[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000342133434 174243668 /nfs/dbraw/zinc/24/36/68/174243668.db2.gz NFXJSUUFUIDTMB-SNVBAGLBSA-N 2 2 243.351 -0.001 20 0 BBADLP [NH3+]C1(C[NH2+]CC(=O)NC(=O)NC2CC2)CCC1 ZINC000342134251 181330897 /nfs/dbraw/zinc/33/08/97/181330897.db2.gz JUPBLYYQANYXNT-UHFFFAOYSA-N 2 2 240.307 -0.554 20 0 BBADLP CCCNC(=O)NC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342137904 169236317 /nfs/dbraw/zinc/23/63/17/169236317.db2.gz PKZOYOOLJRYJBJ-UHFFFAOYSA-N 2 2 242.323 -0.307 20 0 BBADLP CCOCCNC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342140806 385945385 /nfs/dbraw/zinc/94/53/85/385945385.db2.gz QTGVIKNVYGIIKX-UHFFFAOYSA-N 2 2 229.324 -0.390 20 0 BBADLP Cn1cc(CC[N@@H+](CC[NH3+])CCO)cn1 ZINC000342404568 135271921 /nfs/dbraw/zinc/27/19/21/135271921.db2.gz XYUQDTTXAGCPHW-UHFFFAOYSA-N 2 2 212.297 -0.784 20 0 BBADLP Cn1cc(CC[N@H+](CC[NH3+])CCO)cn1 ZINC000342404568 135271920 /nfs/dbraw/zinc/27/19/20/135271920.db2.gz XYUQDTTXAGCPHW-UHFFFAOYSA-N 2 2 212.297 -0.784 20 0 BBADLP [NH3+]CC[N@@H+](CCO)CCC(=O)NC1CCCC1 ZINC000342404840 135271799 /nfs/dbraw/zinc/27/17/99/135271799.db2.gz YISGNHXKGROZRN-UHFFFAOYSA-N 2 2 243.351 -0.312 20 0 BBADLP [NH3+]CC[N@H+](CCO)CCC(=O)NC1CCCC1 ZINC000342404840 135271798 /nfs/dbraw/zinc/27/17/98/135271798.db2.gz YISGNHXKGROZRN-UHFFFAOYSA-N 2 2 243.351 -0.312 20 0 BBADLP [NH3+]CC[N@@H+](CCO)CCc1cccnc1 ZINC000342415506 135266897 /nfs/dbraw/zinc/26/68/97/135266897.db2.gz KPFQHDJOYXHWBN-UHFFFAOYSA-N 2 2 209.293 -0.123 20 0 BBADLP [NH3+]CC[N@H+](CCO)CCc1cccnc1 ZINC000342415506 135266896 /nfs/dbraw/zinc/26/68/96/135266896.db2.gz KPFQHDJOYXHWBN-UHFFFAOYSA-N 2 2 209.293 -0.123 20 0 BBADLP CCCCNC(=O)CC[N@@H+](CC[NH3+])CCO ZINC000342428211 135273535 /nfs/dbraw/zinc/27/35/35/135273535.db2.gz WMTKVIHMFWHWJR-UHFFFAOYSA-N 2 2 231.340 -0.454 20 0 BBADLP CCCCNC(=O)CC[N@H+](CC[NH3+])CCO ZINC000342428211 135273534 /nfs/dbraw/zinc/27/35/34/135273534.db2.gz WMTKVIHMFWHWJR-UHFFFAOYSA-N 2 2 231.340 -0.454 20 0 BBADLP CNC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000342472034 135278466 /nfs/dbraw/zinc/27/84/66/135278466.db2.gz QNSVFSFNOWXERX-UHFFFAOYSA-N 2 2 210.281 -0.049 20 0 BBADLP CNC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000342472034 135278465 /nfs/dbraw/zinc/27/84/65/135278465.db2.gz QNSVFSFNOWXERX-UHFFFAOYSA-N 2 2 210.281 -0.049 20 0 BBADLP CNC(=O)C[N@@H+](C)CCn1cc[nH+]c1C ZINC000342546284 135286957 /nfs/dbraw/zinc/28/69/57/135286957.db2.gz NHOUKDIANBNRBT-UHFFFAOYSA-N 2 2 210.281 -0.131 20 0 BBADLP CNC(=O)C[N@H+](C)CCn1cc[nH+]c1C ZINC000342546284 135286956 /nfs/dbraw/zinc/28/69/56/135286956.db2.gz NHOUKDIANBNRBT-UHFFFAOYSA-N 2 2 210.281 -0.131 20 0 BBADLP CC[N@H+]1CCOC[C@@H]1C(=O)N(C)CC[NH+](C)C ZINC000342566989 135290657 /nfs/dbraw/zinc/29/06/57/135290657.db2.gz KQMLFSSQGXUXFO-LLVKDONJSA-N 2 2 243.351 -0.273 20 0 BBADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)CC[NH+](C)C ZINC000342566989 135290656 /nfs/dbraw/zinc/29/06/56/135290656.db2.gz KQMLFSSQGXUXFO-LLVKDONJSA-N 2 2 243.351 -0.273 20 0 BBADLP CC[N@H+]1CCOC[C@H]1C(=O)N(C)CC[NH+](C)C ZINC000342566992 135290386 /nfs/dbraw/zinc/29/03/86/135290386.db2.gz KQMLFSSQGXUXFO-NSHDSACASA-N 2 2 243.351 -0.273 20 0 BBADLP CC[N@@H+]1CCOC[C@H]1C(=O)N(C)CC[NH+](C)C ZINC000342566992 135290385 /nfs/dbraw/zinc/29/03/85/135290385.db2.gz KQMLFSSQGXUXFO-NSHDSACASA-N 2 2 243.351 -0.273 20 0 BBADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000342589721 135293479 /nfs/dbraw/zinc/29/34/79/135293479.db2.gz UXOKVLXOEYJCFZ-JTQLQIEISA-N 2 2 238.291 -0.622 20 0 BBADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000342589721 135293478 /nfs/dbraw/zinc/29/34/78/135293478.db2.gz UXOKVLXOEYJCFZ-JTQLQIEISA-N 2 2 238.291 -0.622 20 0 BBADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000342589722 135293828 /nfs/dbraw/zinc/29/38/28/135293828.db2.gz UXOKVLXOEYJCFZ-SNVBAGLBSA-N 2 2 238.291 -0.622 20 0 BBADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000342589722 135293826 /nfs/dbraw/zinc/29/38/26/135293826.db2.gz UXOKVLXOEYJCFZ-SNVBAGLBSA-N 2 2 238.291 -0.622 20 0 BBADLP Cn1cc[nH+]c1CNC(=O)NCC[NH+](C)C ZINC000342672407 535885002 /nfs/dbraw/zinc/88/50/02/535885002.db2.gz BAFWYYBZRMETHD-UHFFFAOYSA-N 2 2 225.296 -0.219 20 0 BBADLP Cc1c[nH+]c(CN2CC[NH+](CCO)CC2)n1C ZINC000342801529 135321828 /nfs/dbraw/zinc/32/18/28/135321828.db2.gz XKCZUBNRXTXRRS-UHFFFAOYSA-N 2 2 238.335 -0.162 20 0 BBADLP C[NH+](C)CC(=O)N1CC[NH+](CCCCO)CC1 ZINC000343103248 135362235 /nfs/dbraw/zinc/36/22/35/135362235.db2.gz NVVVAEHNPOGIEB-UHFFFAOYSA-N 2 2 243.351 -0.535 20 0 BBADLP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000343586883 353940301 /nfs/dbraw/zinc/94/03/01/353940301.db2.gz CEQBMFSCCQOKRH-BWZBUEFSSA-N 2 2 233.262 -0.068 20 0 BBADLP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000343586886 353940296 /nfs/dbraw/zinc/94/02/96/353940296.db2.gz CEQBMFSCCQOKRH-CSMHCCOUSA-N 2 2 233.262 -0.068 20 0 BBADLP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000343586887 353940513 /nfs/dbraw/zinc/94/05/13/353940513.db2.gz CEQBMFSCCQOKRH-GJMOJQLCSA-N 2 2 233.262 -0.068 20 0 BBADLP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000343586888 353940270 /nfs/dbraw/zinc/94/02/70/353940270.db2.gz CEQBMFSCCQOKRH-PRJMDXOYSA-N 2 2 233.262 -0.068 20 0 BBADLP COC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344080751 354135464 /nfs/dbraw/zinc/13/54/64/354135464.db2.gz ZJIODIWZNTUQPV-UHFFFAOYSA-N 2 2 245.367 -0.025 20 0 BBADLP COC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344080751 354135463 /nfs/dbraw/zinc/13/54/63/354135463.db2.gz ZJIODIWZNTUQPV-UHFFFAOYSA-N 2 2 245.367 -0.025 20 0 BBADLP COCCN1CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1 ZINC000344130913 354148971 /nfs/dbraw/zinc/14/89/71/354148971.db2.gz ILHXUGQDRHNWHU-NEPJUHHUSA-N 2 2 245.367 -0.781 20 0 BBADLP COCCN1CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000344130915 354149034 /nfs/dbraw/zinc/14/90/34/354149034.db2.gz ILHXUGQDRHNWHU-NWDGAFQWSA-N 2 2 245.367 -0.781 20 0 BBADLP COCCN1CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1 ZINC000344130916 354148327 /nfs/dbraw/zinc/14/83/27/354148327.db2.gz ILHXUGQDRHNWHU-RYUDHWBXSA-N 2 2 245.367 -0.781 20 0 BBADLP COCCN1CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000344130918 354148808 /nfs/dbraw/zinc/14/88/08/354148808.db2.gz ILHXUGQDRHNWHU-VXGBXAGGSA-N 2 2 245.367 -0.781 20 0 BBADLP Cc1nc(N2CC([NH+](C)C)C2)nc(N(C)C)[nH+]1 ZINC000344162686 354168089 /nfs/dbraw/zinc/16/80/89/354168089.db2.gz WNZDQMZYLRIOBW-UHFFFAOYSA-N 2 2 236.323 -0.004 20 0 BBADLP C[NH+](C)CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000344244260 354189061 /nfs/dbraw/zinc/18/90/61/354189061.db2.gz JUQKWFASOBQXIZ-MRVPVSSYSA-N 2 2 222.292 -0.055 20 0 BBADLP C[NH+](C)CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000344244260 354189058 /nfs/dbraw/zinc/18/90/58/354189058.db2.gz JUQKWFASOBQXIZ-MRVPVSSYSA-N 2 2 222.292 -0.055 20 0 BBADLP C[NH+](C)CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000344244261 354188953 /nfs/dbraw/zinc/18/89/53/354188953.db2.gz JUQKWFASOBQXIZ-QMMMGPOBSA-N 2 2 222.292 -0.055 20 0 BBADLP C[NH+](C)CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000344244261 354188948 /nfs/dbraw/zinc/18/89/48/354188948.db2.gz JUQKWFASOBQXIZ-QMMMGPOBSA-N 2 2 222.292 -0.055 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000344558820 354295893 /nfs/dbraw/zinc/29/58/93/354295893.db2.gz YZUCGNBBLQSWQR-NEPJUHHUSA-N 3 2 241.379 -0.017 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000344558820 354295891 /nfs/dbraw/zinc/29/58/91/354295891.db2.gz YZUCGNBBLQSWQR-NEPJUHHUSA-N 3 2 241.379 -0.017 20 0 BBADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000344558821 354295818 /nfs/dbraw/zinc/29/58/18/354295818.db2.gz YZUCGNBBLQSWQR-NWDGAFQWSA-N 3 2 241.379 -0.017 20 0 BBADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000344558821 354295816 /nfs/dbraw/zinc/29/58/16/354295816.db2.gz YZUCGNBBLQSWQR-NWDGAFQWSA-N 3 2 241.379 -0.017 20 0 BBADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000344558823 354296007 /nfs/dbraw/zinc/29/60/07/354296007.db2.gz YZUCGNBBLQSWQR-RYUDHWBXSA-N 3 2 241.379 -0.017 20 0 BBADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000344558823 354296006 /nfs/dbraw/zinc/29/60/06/354296006.db2.gz YZUCGNBBLQSWQR-RYUDHWBXSA-N 3 2 241.379 -0.017 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000344558825 354295808 /nfs/dbraw/zinc/29/58/08/354295808.db2.gz YZUCGNBBLQSWQR-VXGBXAGGSA-N 3 2 241.379 -0.017 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000344558825 354295806 /nfs/dbraw/zinc/29/58/06/354295806.db2.gz YZUCGNBBLQSWQR-VXGBXAGGSA-N 3 2 241.379 -0.017 20 0 BBADLP C[C@@H](C(=O)N1CC([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000345325557 354611260 /nfs/dbraw/zinc/61/12/60/354611260.db2.gz TXNHJJHWEKBCNZ-JTQLQIEISA-N 2 2 241.335 -0.521 20 0 BBADLP C[C@H](C(=O)N1CC([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000345325570 354611843 /nfs/dbraw/zinc/61/18/43/354611843.db2.gz TXNHJJHWEKBCNZ-SNVBAGLBSA-N 2 2 241.335 -0.521 20 0 BBADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000345331882 354641706 /nfs/dbraw/zinc/64/17/06/354641706.db2.gz VOCPCZNYHFFART-GHMZBOCLSA-N 2 2 241.335 -0.521 20 0 BBADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000345331882 354641701 /nfs/dbraw/zinc/64/17/01/354641701.db2.gz VOCPCZNYHFFART-GHMZBOCLSA-N 2 2 241.335 -0.521 20 0 BBADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000345331882 354641697 /nfs/dbraw/zinc/64/16/97/354641697.db2.gz VOCPCZNYHFFART-GHMZBOCLSA-N 2 2 241.335 -0.521 20 0 BBADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000345331882 354641692 /nfs/dbraw/zinc/64/16/92/354641692.db2.gz VOCPCZNYHFFART-GHMZBOCLSA-N 2 2 241.335 -0.521 20 0 BBADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000345331884 354641612 /nfs/dbraw/zinc/64/16/12/354641612.db2.gz VOCPCZNYHFFART-MNOVXSKESA-N 2 2 241.335 -0.521 20 0 BBADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000345331884 354641607 /nfs/dbraw/zinc/64/16/07/354641607.db2.gz VOCPCZNYHFFART-MNOVXSKESA-N 2 2 241.335 -0.521 20 0 BBADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000345331884 354641605 /nfs/dbraw/zinc/64/16/05/354641605.db2.gz VOCPCZNYHFFART-MNOVXSKESA-N 2 2 241.335 -0.521 20 0 BBADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000345331884 354641601 /nfs/dbraw/zinc/64/16/01/354641601.db2.gz VOCPCZNYHFFART-MNOVXSKESA-N 2 2 241.335 -0.521 20 0 BBADLP C[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000345331885 354641954 /nfs/dbraw/zinc/64/19/54/354641954.db2.gz VOCPCZNYHFFART-QWRGUYRKSA-N 2 2 241.335 -0.521 20 0 BBADLP C[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000345331885 354641949 /nfs/dbraw/zinc/64/19/49/354641949.db2.gz VOCPCZNYHFFART-QWRGUYRKSA-N 2 2 241.335 -0.521 20 0 BBADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000345331885 354641946 /nfs/dbraw/zinc/64/19/46/354641946.db2.gz VOCPCZNYHFFART-QWRGUYRKSA-N 2 2 241.335 -0.521 20 0 BBADLP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000345331885 354641941 /nfs/dbraw/zinc/64/19/41/354641941.db2.gz VOCPCZNYHFFART-QWRGUYRKSA-N 2 2 241.335 -0.521 20 0 BBADLP C[C@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000345331886 354641985 /nfs/dbraw/zinc/64/19/85/354641985.db2.gz VOCPCZNYHFFART-WDEREUQCSA-N 2 2 241.335 -0.521 20 0 BBADLP C[C@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000345331886 354641983 /nfs/dbraw/zinc/64/19/83/354641983.db2.gz VOCPCZNYHFFART-WDEREUQCSA-N 2 2 241.335 -0.521 20 0 BBADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000345331886 354641981 /nfs/dbraw/zinc/64/19/81/354641981.db2.gz VOCPCZNYHFFART-WDEREUQCSA-N 2 2 241.335 -0.521 20 0 BBADLP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000345331886 354641976 /nfs/dbraw/zinc/64/19/76/354641976.db2.gz VOCPCZNYHFFART-WDEREUQCSA-N 2 2 241.335 -0.521 20 0 BBADLP Cc1[nH]c[nH+]c1CC(=O)NCC[NH+](C)C ZINC000345635282 354720052 /nfs/dbraw/zinc/72/00/52/354720052.db2.gz PPUOOLZBTFBLSL-UHFFFAOYSA-N 2 2 210.281 -0.062 20 0 BBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH+](C)C ZINC000345635282 354720051 /nfs/dbraw/zinc/72/00/51/354720051.db2.gz PPUOOLZBTFBLSL-UHFFFAOYSA-N 2 2 210.281 -0.062 20 0 BBADLP C[NH+](C)CCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000345644771 354735704 /nfs/dbraw/zinc/73/57/04/354735704.db2.gz YAVPZAZDDAPRKM-UHFFFAOYSA-N 2 2 243.351 -0.225 20 0 BBADLP C[C@H](O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000345752826 354752051 /nfs/dbraw/zinc/75/20/51/354752051.db2.gz IARYWDUCUVCISX-JTQLQIEISA-N 2 2 243.351 -0.491 20 0 BBADLP C[C@@H](O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000345752827 354751732 /nfs/dbraw/zinc/75/17/32/354751732.db2.gz IARYWDUCUVCISX-SNVBAGLBSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[C@H](CO)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000345826505 388516267 /nfs/dbraw/zinc/51/62/67/388516267.db2.gz FPOPEKKPAVWMPQ-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP CC[C@H](CO)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000345826505 388516266 /nfs/dbraw/zinc/51/62/66/388516266.db2.gz FPOPEKKPAVWMPQ-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP CC[C@@H](CO)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000345826506 388517410 /nfs/dbraw/zinc/51/74/10/388517410.db2.gz FPOPEKKPAVWMPQ-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP CC[C@@H](CO)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000345826506 388517408 /nfs/dbraw/zinc/51/74/08/388517408.db2.gz FPOPEKKPAVWMPQ-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP [NH3+][C@@H]1CCC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000346057986 354849518 /nfs/dbraw/zinc/84/95/18/354849518.db2.gz CNQJUHPDGCZRKU-LLVKDONJSA-N 2 2 241.335 -0.342 20 0 BBADLP [NH3+][C@@H]1CCC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000346057986 354849516 /nfs/dbraw/zinc/84/95/16/354849516.db2.gz CNQJUHPDGCZRKU-LLVKDONJSA-N 2 2 241.335 -0.342 20 0 BBADLP [NH3+][C@H]1CCC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000346057987 354849552 /nfs/dbraw/zinc/84/95/52/354849552.db2.gz CNQJUHPDGCZRKU-NSHDSACASA-N 2 2 241.335 -0.342 20 0 BBADLP [NH3+][C@H]1CCC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000346057987 354849548 /nfs/dbraw/zinc/84/95/48/354849548.db2.gz CNQJUHPDGCZRKU-NSHDSACASA-N 2 2 241.335 -0.342 20 0 BBADLP C[C@H](C[NH2+][C@H](C)CC(N)=O)C[NH+]1CCOCC1 ZINC000346084370 386158261 /nfs/dbraw/zinc/15/82/61/386158261.db2.gz CSSGXJKWONXXFT-GHMZBOCLSA-N 2 2 243.351 -0.192 20 0 BBADLP C[C@H](C[NH2+][C@@H](C)CC(N)=O)C[NH+]1CCOCC1 ZINC000346084383 386158628 /nfs/dbraw/zinc/15/86/28/386158628.db2.gz CSSGXJKWONXXFT-MNOVXSKESA-N 2 2 243.351 -0.192 20 0 BBADLP C[C@@H](C[NH2+][C@@H](C)CC(N)=O)C[NH+]1CCOCC1 ZINC000346084384 386158249 /nfs/dbraw/zinc/15/82/49/386158249.db2.gz CSSGXJKWONXXFT-QWRGUYRKSA-N 2 2 243.351 -0.192 20 0 BBADLP C[C@H](CC(N)=O)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000346084385 386158600 /nfs/dbraw/zinc/15/86/00/386158600.db2.gz CSSGXJKWONXXFT-WDEREUQCSA-N 2 2 243.351 -0.192 20 0 BBADLP C[C@@H](CC(N)=O)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000346104220 175652458 /nfs/dbraw/zinc/65/24/58/175652458.db2.gz QPRRLFDCYXSOPB-JTQLQIEISA-N 2 2 243.351 -0.049 20 0 BBADLP C[C@H](CC(N)=O)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000346104221 386147705 /nfs/dbraw/zinc/14/77/05/386147705.db2.gz QPRRLFDCYXSOPB-SNVBAGLBSA-N 2 2 243.351 -0.049 20 0 BBADLP C[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCNC1=O ZINC000346170207 386174391 /nfs/dbraw/zinc/17/43/91/386174391.db2.gz QRQLFZBRSCEKGI-SECBINFHSA-N 2 2 208.265 -0.297 20 0 BBADLP C[N@H+](CCn1cc[nH+]c1)[C@@H]1CCNC1=O ZINC000346170207 386174389 /nfs/dbraw/zinc/17/43/89/386174389.db2.gz QRQLFZBRSCEKGI-SECBINFHSA-N 2 2 208.265 -0.297 20 0 BBADLP C[N@@H+](CCn1cc[nH+]c1)[C@H]1CCNC1=O ZINC000346170208 386172807 /nfs/dbraw/zinc/17/28/07/386172807.db2.gz QRQLFZBRSCEKGI-VIFPVBQESA-N 2 2 208.265 -0.297 20 0 BBADLP C[N@H+](CCn1cc[nH+]c1)[C@H]1CCNC1=O ZINC000346170208 386172803 /nfs/dbraw/zinc/17/28/03/386172803.db2.gz QRQLFZBRSCEKGI-VIFPVBQESA-N 2 2 208.265 -0.297 20 0 BBADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000346204286 180256730 /nfs/dbraw/zinc/25/67/30/180256730.db2.gz ZKENZOMKPGTFRC-JTQLQIEISA-N 2 2 237.307 -0.066 20 0 BBADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000346204286 180256728 /nfs/dbraw/zinc/25/67/28/180256728.db2.gz ZKENZOMKPGTFRC-JTQLQIEISA-N 2 2 237.307 -0.066 20 0 BBADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000346204289 180255630 /nfs/dbraw/zinc/25/56/30/180255630.db2.gz ZKENZOMKPGTFRC-SNVBAGLBSA-N 2 2 237.307 -0.066 20 0 BBADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000346204289 180255627 /nfs/dbraw/zinc/25/56/27/180255627.db2.gz ZKENZOMKPGTFRC-SNVBAGLBSA-N 2 2 237.307 -0.066 20 0 BBADLP C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000346258864 354882495 /nfs/dbraw/zinc/88/24/95/354882495.db2.gz KGUAZPHTHFXSDF-GHMZBOCLSA-N 2 2 243.351 -0.227 20 0 BBADLP C[C@H](C[NH+](C)C)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000346258865 354882318 /nfs/dbraw/zinc/88/23/18/354882318.db2.gz KGUAZPHTHFXSDF-MNOVXSKESA-N 2 2 243.351 -0.227 20 0 BBADLP C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000346258866 354882657 /nfs/dbraw/zinc/88/26/57/354882657.db2.gz KGUAZPHTHFXSDF-QWRGUYRKSA-N 2 2 243.351 -0.227 20 0 BBADLP C[C@H](C(=O)N[C@@H](C)C[NH+](C)C)[NH+]1CCOCC1 ZINC000346258867 354882144 /nfs/dbraw/zinc/88/21/44/354882144.db2.gz KGUAZPHTHFXSDF-WDEREUQCSA-N 2 2 243.351 -0.227 20 0 BBADLP CC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)C[NH+](C)C ZINC000346275202 170001948 /nfs/dbraw/zinc/00/19/48/170001948.db2.gz SOWPYNJIFLZIKR-GHMZBOCLSA-N 2 2 243.351 -0.227 20 0 BBADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)C[NH+](C)C ZINC000346275202 170001946 /nfs/dbraw/zinc/00/19/46/170001946.db2.gz SOWPYNJIFLZIKR-GHMZBOCLSA-N 2 2 243.351 -0.227 20 0 BBADLP CC[N@H+]1CCOC[C@H]1C(=O)N[C@H](C)C[NH+](C)C ZINC000346275203 188052081 /nfs/dbraw/zinc/05/20/81/188052081.db2.gz SOWPYNJIFLZIKR-MNOVXSKESA-N 2 2 243.351 -0.227 20 0 BBADLP CC[N@@H+]1CCOC[C@H]1C(=O)N[C@H](C)C[NH+](C)C ZINC000346275203 188052080 /nfs/dbraw/zinc/05/20/80/188052080.db2.gz SOWPYNJIFLZIKR-MNOVXSKESA-N 2 2 243.351 -0.227 20 0 BBADLP CC[N@H+]1CCOC[C@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000346275204 170001219 /nfs/dbraw/zinc/00/12/19/170001219.db2.gz SOWPYNJIFLZIKR-QWRGUYRKSA-N 2 2 243.351 -0.227 20 0 BBADLP CC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000346275204 170001216 /nfs/dbraw/zinc/00/12/16/170001216.db2.gz SOWPYNJIFLZIKR-QWRGUYRKSA-N 2 2 243.351 -0.227 20 0 BBADLP CC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000346275205 170002184 /nfs/dbraw/zinc/00/21/84/170002184.db2.gz SOWPYNJIFLZIKR-WDEREUQCSA-N 2 2 243.351 -0.227 20 0 BBADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000346275205 170002183 /nfs/dbraw/zinc/00/21/83/170002183.db2.gz SOWPYNJIFLZIKR-WDEREUQCSA-N 2 2 243.351 -0.227 20 0 BBADLP CCNC(=O)C[NH+]1CCN(CC(C)(C)[NH3+])CC1 ZINC000346820014 355125028 /nfs/dbraw/zinc/12/50/28/355125028.db2.gz IXRYABDRGMTHAG-UHFFFAOYSA-N 2 2 242.367 -0.523 20 0 BBADLP COCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H](C)C(N)=O ZINC000346820511 355124731 /nfs/dbraw/zinc/12/47/31/355124731.db2.gz CPECZSZANFWBJH-GHMZBOCLSA-N 2 2 243.351 -0.192 20 0 BBADLP COCC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@H](C)C(N)=O ZINC000346820511 355124728 /nfs/dbraw/zinc/12/47/28/355124728.db2.gz CPECZSZANFWBJH-GHMZBOCLSA-N 2 2 243.351 -0.192 20 0 BBADLP COCC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H](C)C(N)=O ZINC000346820515 355125021 /nfs/dbraw/zinc/12/50/21/355125021.db2.gz CPECZSZANFWBJH-MNOVXSKESA-N 2 2 243.351 -0.192 20 0 BBADLP COCC[N@H+](C[C@H]1CCC[NH2+]C1)[C@H](C)C(N)=O ZINC000346820515 355125017 /nfs/dbraw/zinc/12/50/17/355125017.db2.gz CPECZSZANFWBJH-MNOVXSKESA-N 2 2 243.351 -0.192 20 0 BBADLP COCC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H](C)C(N)=O ZINC000346820518 355124788 /nfs/dbraw/zinc/12/47/88/355124788.db2.gz CPECZSZANFWBJH-QWRGUYRKSA-N 2 2 243.351 -0.192 20 0 BBADLP COCC[N@H+](C[C@H]1CCC[NH2+]C1)[C@@H](C)C(N)=O ZINC000346820518 355124786 /nfs/dbraw/zinc/12/47/86/355124786.db2.gz CPECZSZANFWBJH-QWRGUYRKSA-N 2 2 243.351 -0.192 20 0 BBADLP COCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H](C)C(N)=O ZINC000346820521 355124836 /nfs/dbraw/zinc/12/48/36/355124836.db2.gz CPECZSZANFWBJH-WDEREUQCSA-N 2 2 243.351 -0.192 20 0 BBADLP COCC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@@H](C)C(N)=O ZINC000346820521 355124833 /nfs/dbraw/zinc/12/48/33/355124833.db2.gz CPECZSZANFWBJH-WDEREUQCSA-N 2 2 243.351 -0.192 20 0 BBADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346848134 355136783 /nfs/dbraw/zinc/13/67/83/355136783.db2.gz MYYZIIRZLCBSIX-DCAQKATOSA-N 2 2 242.319 -0.406 20 0 BBADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346848134 355136782 /nfs/dbraw/zinc/13/67/82/355136782.db2.gz MYYZIIRZLCBSIX-DCAQKATOSA-N 2 2 242.319 -0.406 20 0 BBADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346848136 355136362 /nfs/dbraw/zinc/13/63/62/355136362.db2.gz MYYZIIRZLCBSIX-VWYCJHECSA-N 2 2 242.319 -0.406 20 0 BBADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346848136 355136360 /nfs/dbraw/zinc/13/63/60/355136360.db2.gz MYYZIIRZLCBSIX-VWYCJHECSA-N 2 2 242.319 -0.406 20 0 BBADLP NC(=O)[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000346851331 355137449 /nfs/dbraw/zinc/13/74/49/355137449.db2.gz WDPKQBJDGPIKEW-NXEZZACHSA-N 2 2 227.308 -0.828 20 0 BBADLP NC(=O)[C@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000346851331 355137445 /nfs/dbraw/zinc/13/74/45/355137445.db2.gz WDPKQBJDGPIKEW-NXEZZACHSA-N 2 2 227.308 -0.828 20 0 BBADLP NC(=O)[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000346851337 355137588 /nfs/dbraw/zinc/13/75/88/355137588.db2.gz WDPKQBJDGPIKEW-UWVGGRQHSA-N 2 2 227.308 -0.828 20 0 BBADLP NC(=O)[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000346851337 355137586 /nfs/dbraw/zinc/13/75/86/355137586.db2.gz WDPKQBJDGPIKEW-UWVGGRQHSA-N 2 2 227.308 -0.828 20 0 BBADLP NC(=O)[C@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000346851341 355137763 /nfs/dbraw/zinc/13/77/63/355137763.db2.gz WDPKQBJDGPIKEW-VHSXEESVSA-N 2 2 227.308 -0.828 20 0 BBADLP NC(=O)[C@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000346851341 355137760 /nfs/dbraw/zinc/13/77/60/355137760.db2.gz WDPKQBJDGPIKEW-VHSXEESVSA-N 2 2 227.308 -0.828 20 0 BBADLP NC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000346851348 355138088 /nfs/dbraw/zinc/13/80/88/355138088.db2.gz WDPKQBJDGPIKEW-ZJUUUORDSA-N 2 2 227.308 -0.828 20 0 BBADLP NC(=O)[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000346851348 355138083 /nfs/dbraw/zinc/13/80/83/355138083.db2.gz WDPKQBJDGPIKEW-ZJUUUORDSA-N 2 2 227.308 -0.828 20 0 BBADLP CC(C)([NH3+])CN(CCO)CC[NH+]1CCOCC1 ZINC000346856903 386202440 /nfs/dbraw/zinc/20/24/40/386202440.db2.gz PWNZVAOWQPWFLK-UHFFFAOYSA-N 2 2 245.367 -0.650 20 0 BBADLP CC(C)([NH3+])C[N@@H+](CCO)CCN1CCOCC1 ZINC000346856903 386202436 /nfs/dbraw/zinc/20/24/36/386202436.db2.gz PWNZVAOWQPWFLK-UHFFFAOYSA-N 2 2 245.367 -0.650 20 0 BBADLP CC(C)([NH3+])C[N@H+](CCO)CCN1CCOCC1 ZINC000346856903 386202429 /nfs/dbraw/zinc/20/24/29/386202429.db2.gz PWNZVAOWQPWFLK-UHFFFAOYSA-N 2 2 245.367 -0.650 20 0 BBADLP C[N@@H+](C[C@@H](O)CN1CCOCC1)CC(C)(C)[NH3+] ZINC000346959335 355168719 /nfs/dbraw/zinc/16/87/19/355168719.db2.gz FFFVUHWHOUDBIN-LLVKDONJSA-N 2 2 245.367 -0.651 20 0 BBADLP C[N@H+](C[C@@H](O)CN1CCOCC1)CC(C)(C)[NH3+] ZINC000346959335 355168717 /nfs/dbraw/zinc/16/87/17/355168717.db2.gz FFFVUHWHOUDBIN-LLVKDONJSA-N 2 2 245.367 -0.651 20 0 BBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)CC(C)(C)[NH3+] ZINC000346959335 355168712 /nfs/dbraw/zinc/16/87/12/355168712.db2.gz FFFVUHWHOUDBIN-LLVKDONJSA-N 2 2 245.367 -0.651 20 0 BBADLP C[N@@H+](C[C@H](O)CN1CCOCC1)CC(C)(C)[NH3+] ZINC000346960502 355168740 /nfs/dbraw/zinc/16/87/40/355168740.db2.gz FFFVUHWHOUDBIN-NSHDSACASA-N 2 2 245.367 -0.651 20 0 BBADLP C[N@H+](C[C@H](O)CN1CCOCC1)CC(C)(C)[NH3+] ZINC000346960502 355168737 /nfs/dbraw/zinc/16/87/37/355168737.db2.gz FFFVUHWHOUDBIN-NSHDSACASA-N 2 2 245.367 -0.651 20 0 BBADLP CN(C[C@H](O)C[NH+]1CCOCC1)CC(C)(C)[NH3+] ZINC000346960502 355168735 /nfs/dbraw/zinc/16/87/35/355168735.db2.gz FFFVUHWHOUDBIN-NSHDSACASA-N 2 2 245.367 -0.651 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@H](C(N)=O)O1 ZINC000346972731 355208170 /nfs/dbraw/zinc/20/81/70/355208170.db2.gz HSBQIBPXQQBMMU-GMTAPVOTSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@H](C(N)=O)O1 ZINC000346972731 355208168 /nfs/dbraw/zinc/20/81/68/355208168.db2.gz HSBQIBPXQQBMMU-GMTAPVOTSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@@H](C(N)=O)O1 ZINC000346972732 355208234 /nfs/dbraw/zinc/20/82/34/355208234.db2.gz HSBQIBPXQQBMMU-MXWKQRLJSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@@H](C(N)=O)O1 ZINC000346972732 355208232 /nfs/dbraw/zinc/20/82/32/355208232.db2.gz HSBQIBPXQQBMMU-MXWKQRLJSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@H](C(N)=O)O1 ZINC000346972733 355208206 /nfs/dbraw/zinc/20/82/06/355208206.db2.gz HSBQIBPXQQBMMU-OUAUKWLOSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)C[C@H](C(N)=O)O1 ZINC000346972733 355208203 /nfs/dbraw/zinc/20/82/03/355208203.db2.gz HSBQIBPXQQBMMU-OUAUKWLOSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@@H](C(N)=O)O1 ZINC000346972734 355208523 /nfs/dbraw/zinc/20/85/23/355208523.db2.gz HSBQIBPXQQBMMU-VWYCJHECSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)C[C@@H](C(N)=O)O1 ZINC000346972734 355208521 /nfs/dbraw/zinc/20/85/21/355208521.db2.gz HSBQIBPXQQBMMU-VWYCJHECSA-N 2 2 241.335 -0.439 20 0 BBADLP CC(C)([NH3+])CN1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000346989576 355189426 /nfs/dbraw/zinc/18/94/26/355189426.db2.gz RWNCCOMBAOUAFK-UHFFFAOYSA-N 2 2 242.367 -0.395 20 0 BBADLP COC(=O)[C@@H](O)C1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000346998958 355196745 /nfs/dbraw/zinc/19/67/45/355196745.db2.gz XWNOZLQGVNXFJY-JTQLQIEISA-N 2 2 244.335 -0.030 20 0 BBADLP COC(=O)[C@H](O)C1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000346998959 355196918 /nfs/dbraw/zinc/19/69/18/355196918.db2.gz XWNOZLQGVNXFJY-SNVBAGLBSA-N 2 2 244.335 -0.030 20 0 BBADLP CNC(=O)[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000347000117 355196685 /nfs/dbraw/zinc/19/66/85/355196685.db2.gz YOUNTCGPQFRAQF-GHMZBOCLSA-N 2 2 241.335 -0.567 20 0 BBADLP CNC(=O)[C@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000347000117 355196683 /nfs/dbraw/zinc/19/66/83/355196683.db2.gz YOUNTCGPQFRAQF-GHMZBOCLSA-N 2 2 241.335 -0.567 20 0 BBADLP CNC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000347000119 355196740 /nfs/dbraw/zinc/19/67/40/355196740.db2.gz YOUNTCGPQFRAQF-MNOVXSKESA-N 2 2 241.335 -0.567 20 0 BBADLP CNC(=O)[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000347000119 355196739 /nfs/dbraw/zinc/19/67/39/355196739.db2.gz YOUNTCGPQFRAQF-MNOVXSKESA-N 2 2 241.335 -0.567 20 0 BBADLP CNC(=O)[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000347000121 355197151 /nfs/dbraw/zinc/19/71/51/355197151.db2.gz YOUNTCGPQFRAQF-QWRGUYRKSA-N 2 2 241.335 -0.567 20 0 BBADLP CNC(=O)[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000347000121 355197150 /nfs/dbraw/zinc/19/71/50/355197150.db2.gz YOUNTCGPQFRAQF-QWRGUYRKSA-N 2 2 241.335 -0.567 20 0 BBADLP CNC(=O)[C@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000347000122 355196939 /nfs/dbraw/zinc/19/69/39/355196939.db2.gz YOUNTCGPQFRAQF-WDEREUQCSA-N 2 2 241.335 -0.567 20 0 BBADLP CNC(=O)[C@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000347000122 355196936 /nfs/dbraw/zinc/19/69/36/355196936.db2.gz YOUNTCGPQFRAQF-WDEREUQCSA-N 2 2 241.335 -0.567 20 0 BBADLP OC[C@H]1CC[C@H](CO)[NH+]1CCn1cc[nH+]c1 ZINC000347288494 386292159 /nfs/dbraw/zinc/29/21/59/386292159.db2.gz KEXCSPWVHKPPCG-GHMZBOCLSA-N 2 2 225.292 -0.299 20 0 BBADLP OC[C@H]1CC[C@@H](CO)[N@H+]1CCn1cc[nH+]c1 ZINC000347288497 386292260 /nfs/dbraw/zinc/29/22/60/386292260.db2.gz KEXCSPWVHKPPCG-PHIMTYICSA-N 2 2 225.292 -0.299 20 0 BBADLP OC[C@H]1CC[C@@H](CO)[N@@H+]1CCn1cc[nH+]c1 ZINC000347288497 386292256 /nfs/dbraw/zinc/29/22/56/386292256.db2.gz KEXCSPWVHKPPCG-PHIMTYICSA-N 2 2 225.292 -0.299 20 0 BBADLP OC[C@@H]1CC[C@@H](CO)[NH+]1CCn1cc[nH+]c1 ZINC000347288501 386292093 /nfs/dbraw/zinc/29/20/93/386292093.db2.gz KEXCSPWVHKPPCG-QWRGUYRKSA-N 2 2 225.292 -0.299 20 0 BBADLP Cn1c[nH+]cc1C[N@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347301832 386305283 /nfs/dbraw/zinc/30/52/83/386305283.db2.gz FRKFQOQQBYYTAO-AOOOYVTPSA-N 2 2 225.292 -0.262 20 0 BBADLP Cn1c[nH+]cc1C[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347301832 386305277 /nfs/dbraw/zinc/30/52/77/386305277.db2.gz FRKFQOQQBYYTAO-AOOOYVTPSA-N 2 2 225.292 -0.262 20 0 BBADLP Cn1c[nH+]cc1C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000347301834 386304874 /nfs/dbraw/zinc/30/48/74/386304874.db2.gz FRKFQOQQBYYTAO-NXEZZACHSA-N 2 2 225.292 -0.262 20 0 BBADLP Cn1c[nH+]cc1C[NH+]1[C@H](CO)CC[C@H]1CO ZINC000347301837 386304926 /nfs/dbraw/zinc/30/49/26/386304926.db2.gz FRKFQOQQBYYTAO-UWVGGRQHSA-N 2 2 225.292 -0.262 20 0 BBADLP OC[C@H]1CC[C@@H](CO)[N@H+]1Cc1c[nH+]c[nH]1 ZINC000347314159 386356967 /nfs/dbraw/zinc/35/69/67/386356967.db2.gz PCEXDZRGCWKYTN-AOOOYVTPSA-N 2 2 211.265 -0.273 20 0 BBADLP OC[C@H]1CC[C@@H](CO)[N@@H+]1Cc1c[nH+]c[nH]1 ZINC000347314159 386356963 /nfs/dbraw/zinc/35/69/63/386356963.db2.gz PCEXDZRGCWKYTN-AOOOYVTPSA-N 2 2 211.265 -0.273 20 0 BBADLP OC[C@H]1CC[C@H](CO)[NH+]1Cc1c[nH+]c[nH]1 ZINC000347314162 386356093 /nfs/dbraw/zinc/35/60/93/386356093.db2.gz PCEXDZRGCWKYTN-NXEZZACHSA-N 2 2 211.265 -0.273 20 0 BBADLP OC[C@@H]1CC[C@@H](CO)[NH+]1Cc1c[nH+]c[nH]1 ZINC000347314163 386355943 /nfs/dbraw/zinc/35/59/43/386355943.db2.gz PCEXDZRGCWKYTN-UWVGGRQHSA-N 2 2 211.265 -0.273 20 0 BBADLP COC[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000347349884 386346591 /nfs/dbraw/zinc/34/65/91/386346591.db2.gz BXXQVTZCEWUKPM-GHMZBOCLSA-N 2 2 243.351 -0.049 20 0 BBADLP COC[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000347349884 386346584 /nfs/dbraw/zinc/34/65/84/386346584.db2.gz BXXQVTZCEWUKPM-GHMZBOCLSA-N 2 2 243.351 -0.049 20 0 BBADLP COC[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000347349892 386346030 /nfs/dbraw/zinc/34/60/30/386346030.db2.gz BXXQVTZCEWUKPM-MNOVXSKESA-N 2 2 243.351 -0.049 20 0 BBADLP COC[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000347349892 386346027 /nfs/dbraw/zinc/34/60/27/386346027.db2.gz BXXQVTZCEWUKPM-MNOVXSKESA-N 2 2 243.351 -0.049 20 0 BBADLP COC[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000347349906 386347419 /nfs/dbraw/zinc/34/74/19/386347419.db2.gz BXXQVTZCEWUKPM-QWRGUYRKSA-N 2 2 243.351 -0.049 20 0 BBADLP COC[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000347349906 386347416 /nfs/dbraw/zinc/34/74/16/386347416.db2.gz BXXQVTZCEWUKPM-QWRGUYRKSA-N 2 2 243.351 -0.049 20 0 BBADLP COC[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000347349917 386345914 /nfs/dbraw/zinc/34/59/14/386345914.db2.gz BXXQVTZCEWUKPM-WDEREUQCSA-N 2 2 243.351 -0.049 20 0 BBADLP COC[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000347349917 386345909 /nfs/dbraw/zinc/34/59/09/386345909.db2.gz BXXQVTZCEWUKPM-WDEREUQCSA-N 2 2 243.351 -0.049 20 0 BBADLP C[C@H](C(=O)N1CCC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000347367926 386369291 /nfs/dbraw/zinc/36/92/91/386369291.db2.gz NNBBIAMRHCDJOE-GHMZBOCLSA-N 2 2 241.335 -0.343 20 0 BBADLP C[C@H](C(=O)N1CCC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000347367927 386368942 /nfs/dbraw/zinc/36/89/42/386368942.db2.gz NNBBIAMRHCDJOE-MNOVXSKESA-N 2 2 241.335 -0.343 20 0 BBADLP C[C@@H](C(=O)N1CCC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000347367928 386369165 /nfs/dbraw/zinc/36/91/65/386369165.db2.gz NNBBIAMRHCDJOE-QWRGUYRKSA-N 2 2 241.335 -0.343 20 0 BBADLP C[C@@H](C(=O)N1CCC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000347367929 386367246 /nfs/dbraw/zinc/36/72/46/386367246.db2.gz NNBBIAMRHCDJOE-WDEREUQCSA-N 2 2 241.335 -0.343 20 0 BBADLP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000347463318 386416484 /nfs/dbraw/zinc/41/64/84/386416484.db2.gz YREQONLXQVKSQM-GHMZBOCLSA-N 2 2 243.351 -0.193 20 0 BBADLP CC(C)[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000347463319 386415286 /nfs/dbraw/zinc/41/52/86/386415286.db2.gz YREQONLXQVKSQM-WDEREUQCSA-N 2 2 243.351 -0.193 20 0 BBADLP C[C@H](C[NH3+])NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000347644565 136000217 /nfs/dbraw/zinc/00/02/17/136000217.db2.gz DIOZRICCEVXKDS-BDAKNGLRSA-N 2 2 215.297 -0.830 20 0 BBADLP C[C@H](C(=O)N[C@@H](C)C[NH3+])[NH+]1CCOCC1 ZINC000347644567 136000093 /nfs/dbraw/zinc/00/00/93/136000093.db2.gz DIOZRICCEVXKDS-DTWKUNHWSA-N 2 2 215.297 -0.830 20 0 BBADLP C[C@@H](C[NH3+])NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000347644568 136000310 /nfs/dbraw/zinc/00/03/10/136000310.db2.gz DIOZRICCEVXKDS-IUCAKERBSA-N 2 2 215.297 -0.830 20 0 BBADLP C[C@H](C[NH3+])NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000347644569 136000194 /nfs/dbraw/zinc/00/01/94/136000194.db2.gz DIOZRICCEVXKDS-RKDXNWHRSA-N 2 2 215.297 -0.830 20 0 BBADLP CN(C)C(=O)C[N@@H+](C)CCc1c[nH+]cn1C ZINC000347745709 136010851 /nfs/dbraw/zinc/01/08/51/136010851.db2.gz WLZMKIUIKNMHKD-UHFFFAOYSA-N 2 2 224.308 -0.017 20 0 BBADLP CN(C)C(=O)C[N@H+](C)CCc1c[nH+]cn1C ZINC000347745709 136010850 /nfs/dbraw/zinc/01/08/50/136010850.db2.gz WLZMKIUIKNMHKD-UHFFFAOYSA-N 2 2 224.308 -0.017 20 0 BBADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1C(N)=O ZINC000347759023 136012130 /nfs/dbraw/zinc/01/21/30/136012130.db2.gz QMQBNUGKWRVAHD-JTQLQIEISA-N 2 2 222.292 -0.088 20 0 BBADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1C(N)=O ZINC000347759023 136012129 /nfs/dbraw/zinc/01/21/29/136012129.db2.gz QMQBNUGKWRVAHD-JTQLQIEISA-N 2 2 222.292 -0.088 20 0 BBADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1C(N)=O ZINC000347759025 136012155 /nfs/dbraw/zinc/01/21/55/136012155.db2.gz QMQBNUGKWRVAHD-SNVBAGLBSA-N 2 2 222.292 -0.088 20 0 BBADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000347759025 136012154 /nfs/dbraw/zinc/01/21/54/136012154.db2.gz QMQBNUGKWRVAHD-SNVBAGLBSA-N 2 2 222.292 -0.088 20 0 BBADLP Cc1[nH+]ccn1CCCN(CC[NH3+])CCO ZINC000348755652 136297522 /nfs/dbraw/zinc/29/75/22/136297522.db2.gz IGROVPYHCCMPGI-UHFFFAOYSA-N 2 2 226.324 -0.165 20 0 BBADLP O=C(CCOC1C[NH2+]C1)NCc1[nH]cc[nH+]1 ZINC000348989926 136314060 /nfs/dbraw/zinc/31/40/60/136314060.db2.gz KMEYDRUCNZDYSP-UHFFFAOYSA-N 2 2 224.264 -0.596 20 0 BBADLP O=C(CCOC1C[NH2+]C1)NCCn1cc[nH+]c1 ZINC000348990761 136314395 /nfs/dbraw/zinc/31/43/95/136314395.db2.gz MTTFBCYYBMWDLR-UHFFFAOYSA-N 2 2 238.291 -0.622 20 0 BBADLP Cc1[nH+]c[nH]c1CNC(=O)CCOC1C[NH2+]C1 ZINC000348993049 136314103 /nfs/dbraw/zinc/31/41/03/136314103.db2.gz QGEPNMPDAGEADG-UHFFFAOYSA-N 2 2 238.291 -0.287 20 0 BBADLP O=C(CCOC1C[NH2+]C1)NCCc1[nH]cc[nH+]1 ZINC000348993211 136314193 /nfs/dbraw/zinc/31/41/93/136314193.db2.gz JOIDTNLMMIIZNN-UHFFFAOYSA-N 2 2 238.291 -0.553 20 0 BBADLP Cn1cc[nH+]c1CNC(=O)CCOC1C[NH2+]C1 ZINC000349059110 136321267 /nfs/dbraw/zinc/32/12/67/136321267.db2.gz UBTCPKBHUBSOMD-UHFFFAOYSA-N 2 2 238.291 -0.585 20 0 BBADLP C[C@H](CC[NH3+])NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000349912024 355524884 /nfs/dbraw/zinc/52/48/84/355524884.db2.gz DRNKTFVMHRONNO-NXEZZACHSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@@H](CC[NH3+])NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000349912025 355525007 /nfs/dbraw/zinc/52/50/07/355525007.db2.gz DRNKTFVMHRONNO-UWVGGRQHSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@H](C(=O)N[C@@H](C)CC[NH3+])[NH+]1CCOCC1 ZINC000349912026 355525046 /nfs/dbraw/zinc/52/50/46/355525046.db2.gz DRNKTFVMHRONNO-VHSXEESVSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@H](CC[NH3+])NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000349912027 355524971 /nfs/dbraw/zinc/52/49/71/355524971.db2.gz DRNKTFVMHRONNO-ZJUUUORDSA-N 2 2 229.324 -0.439 20 0 BBADLP C[N@@H+](CCCCO)CC(=O)N1CC[NH+](C)CC1 ZINC000349948851 173066578 /nfs/dbraw/zinc/06/65/78/173066578.db2.gz XDKQNCRKRDWBGX-UHFFFAOYSA-N 2 2 243.351 -0.535 20 0 BBADLP C[N@H+](CCCCO)CC(=O)N1CC[NH+](C)CC1 ZINC000349948851 173066576 /nfs/dbraw/zinc/06/65/76/173066576.db2.gz XDKQNCRKRDWBGX-UHFFFAOYSA-N 2 2 243.351 -0.535 20 0 BBADLP CC(C)[NH+](CC(N)=O)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351343856 355978176 /nfs/dbraw/zinc/97/81/76/355978176.db2.gz UTAWYMARFYJMDH-LLVKDONJSA-N 2 2 243.351 -0.363 20 0 BBADLP CC(C)[NH+](CC(N)=O)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351343856 355978173 /nfs/dbraw/zinc/97/81/73/355978173.db2.gz UTAWYMARFYJMDH-LLVKDONJSA-N 2 2 243.351 -0.363 20 0 BBADLP CC(C)[N@H+](CC(N)=O)C[C@H](O)C[NH+](C)C1CC1 ZINC000351343856 355978168 /nfs/dbraw/zinc/97/81/68/355978168.db2.gz UTAWYMARFYJMDH-LLVKDONJSA-N 2 2 243.351 -0.363 20 0 BBADLP CC(C)[N@@H+](CC(N)=O)C[C@H](O)C[NH+](C)C1CC1 ZINC000351343856 355978165 /nfs/dbraw/zinc/97/81/65/355978165.db2.gz UTAWYMARFYJMDH-LLVKDONJSA-N 2 2 243.351 -0.363 20 0 BBADLP CC(C)[NH+](CC(N)=O)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351343858 355978310 /nfs/dbraw/zinc/97/83/10/355978310.db2.gz UTAWYMARFYJMDH-NSHDSACASA-N 2 2 243.351 -0.363 20 0 BBADLP CC(C)[NH+](CC(N)=O)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351343858 355978309 /nfs/dbraw/zinc/97/83/09/355978309.db2.gz UTAWYMARFYJMDH-NSHDSACASA-N 2 2 243.351 -0.363 20 0 BBADLP CC(C)[N@H+](CC(N)=O)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351343858 355978307 /nfs/dbraw/zinc/97/83/07/355978307.db2.gz UTAWYMARFYJMDH-NSHDSACASA-N 2 2 243.351 -0.363 20 0 BBADLP CC(C)[N@@H+](CC(N)=O)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351343858 355978305 /nfs/dbraw/zinc/97/83/05/355978305.db2.gz UTAWYMARFYJMDH-NSHDSACASA-N 2 2 243.351 -0.363 20 0 BBADLP CNC(=O)CC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351497156 356002587 /nfs/dbraw/zinc/00/25/87/356002587.db2.gz TUCFERKTOOOJHD-LLVKDONJSA-N 2 2 243.351 -0.491 20 0 BBADLP CNC(=O)CC[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351497156 356002581 /nfs/dbraw/zinc/00/25/81/356002581.db2.gz TUCFERKTOOOJHD-LLVKDONJSA-N 2 2 243.351 -0.491 20 0 BBADLP CNC(=O)CC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351497156 356002578 /nfs/dbraw/zinc/00/25/78/356002578.db2.gz TUCFERKTOOOJHD-LLVKDONJSA-N 2 2 243.351 -0.491 20 0 BBADLP CNC(=O)CC[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351497156 356002574 /nfs/dbraw/zinc/00/25/74/356002574.db2.gz TUCFERKTOOOJHD-LLVKDONJSA-N 2 2 243.351 -0.491 20 0 BBADLP CNC(=O)CC[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351497157 356002783 /nfs/dbraw/zinc/00/27/83/356002783.db2.gz TUCFERKTOOOJHD-NSHDSACASA-N 2 2 243.351 -0.491 20 0 BBADLP CNC(=O)CC[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351497157 356002776 /nfs/dbraw/zinc/00/27/76/356002776.db2.gz TUCFERKTOOOJHD-NSHDSACASA-N 2 2 243.351 -0.491 20 0 BBADLP CNC(=O)CC[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351497157 356002774 /nfs/dbraw/zinc/00/27/74/356002774.db2.gz TUCFERKTOOOJHD-NSHDSACASA-N 2 2 243.351 -0.491 20 0 BBADLP CNC(=O)CC[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351497157 356002768 /nfs/dbraw/zinc/00/27/68/356002768.db2.gz TUCFERKTOOOJHD-NSHDSACASA-N 2 2 243.351 -0.491 20 0 BBADLP C[NH+](C[C@@H](O)C[N@@H+](CCO)CCCO)C1CC1 ZINC000351497551 490222220 /nfs/dbraw/zinc/22/22/20/490222220.db2.gz UIRPYDCWTJXUML-GFCCVEGCSA-N 2 2 246.351 -0.882 20 0 BBADLP C[NH+](C[C@@H](O)C[N@H+](CCO)CCCO)C1CC1 ZINC000351497551 490222217 /nfs/dbraw/zinc/22/22/17/490222217.db2.gz UIRPYDCWTJXUML-GFCCVEGCSA-N 2 2 246.351 -0.882 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH+](CCO)CCCO)C1CC1 ZINC000351497551 490222212 /nfs/dbraw/zinc/22/22/12/490222212.db2.gz UIRPYDCWTJXUML-GFCCVEGCSA-N 2 2 246.351 -0.882 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH+](CCO)CCCO)C1CC1 ZINC000351497551 490222203 /nfs/dbraw/zinc/22/22/03/490222203.db2.gz UIRPYDCWTJXUML-GFCCVEGCSA-N 2 2 246.351 -0.882 20 0 BBADLP C[NH+](C[C@H](O)C[N@@H+](CCO)CCCO)C1CC1 ZINC000351497552 490222692 /nfs/dbraw/zinc/22/26/92/490222692.db2.gz UIRPYDCWTJXUML-LBPRGKRZSA-N 2 2 246.351 -0.882 20 0 BBADLP C[NH+](C[C@H](O)C[N@H+](CCO)CCCO)C1CC1 ZINC000351497552 490222686 /nfs/dbraw/zinc/22/26/86/490222686.db2.gz UIRPYDCWTJXUML-LBPRGKRZSA-N 2 2 246.351 -0.882 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH+](CCO)CCCO)C1CC1 ZINC000351497552 490222678 /nfs/dbraw/zinc/22/26/78/490222678.db2.gz UIRPYDCWTJXUML-LBPRGKRZSA-N 2 2 246.351 -0.882 20 0 BBADLP C[N@H+](C[C@H](O)C[NH+](CCO)CCCO)C1CC1 ZINC000351497552 490222671 /nfs/dbraw/zinc/22/26/71/490222671.db2.gz UIRPYDCWTJXUML-LBPRGKRZSA-N 2 2 246.351 -0.882 20 0 BBADLP C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000351498625 356003746 /nfs/dbraw/zinc/00/37/46/356003746.db2.gz KVDURFHFYOUZHT-JTQLQIEISA-N 2 2 227.308 -0.909 20 0 BBADLP C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000351498625 356003741 /nfs/dbraw/zinc/00/37/41/356003741.db2.gz KVDURFHFYOUZHT-JTQLQIEISA-N 2 2 227.308 -0.909 20 0 BBADLP C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000351498626 356003806 /nfs/dbraw/zinc/00/38/06/356003806.db2.gz KVDURFHFYOUZHT-SNVBAGLBSA-N 2 2 227.308 -0.909 20 0 BBADLP C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000351498626 356003802 /nfs/dbraw/zinc/00/38/02/356003802.db2.gz KVDURFHFYOUZHT-SNVBAGLBSA-N 2 2 227.308 -0.909 20 0 BBADLP CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000351498959 356003437 /nfs/dbraw/zinc/00/34/37/356003437.db2.gz MOQNPPORRZYPKE-LLVKDONJSA-N 2 2 241.335 -0.519 20 0 BBADLP CC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000351498959 356003434 /nfs/dbraw/zinc/00/34/34/356003434.db2.gz MOQNPPORRZYPKE-LLVKDONJSA-N 2 2 241.335 -0.519 20 0 BBADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000351498960 356003518 /nfs/dbraw/zinc/00/35/18/356003518.db2.gz MOQNPPORRZYPKE-NSHDSACASA-N 2 2 241.335 -0.519 20 0 BBADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000351498960 356003513 /nfs/dbraw/zinc/00/35/13/356003513.db2.gz MOQNPPORRZYPKE-NSHDSACASA-N 2 2 241.335 -0.519 20 0 BBADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@H]1O ZINC000351582851 176295665 /nfs/dbraw/zinc/29/56/65/176295665.db2.gz RYMDEQXEIKJZMR-ADEWGFFLSA-N 2 2 228.336 -0.246 20 0 BBADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@H]1O ZINC000351582851 176295664 /nfs/dbraw/zinc/29/56/64/176295664.db2.gz RYMDEQXEIKJZMR-ADEWGFFLSA-N 2 2 228.336 -0.246 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H]1O ZINC000351582851 176295662 /nfs/dbraw/zinc/29/56/62/176295662.db2.gz RYMDEQXEIKJZMR-ADEWGFFLSA-N 2 2 228.336 -0.246 20 0 BBADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H]1O ZINC000351582851 176295661 /nfs/dbraw/zinc/29/56/61/176295661.db2.gz RYMDEQXEIKJZMR-ADEWGFFLSA-N 2 2 228.336 -0.246 20 0 BBADLP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@@H]1O ZINC000351582852 176299027 /nfs/dbraw/zinc/29/90/27/176299027.db2.gz RYMDEQXEIKJZMR-JLLWLGSASA-N 2 2 228.336 -0.246 20 0 BBADLP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@@H]1O ZINC000351582852 176299026 /nfs/dbraw/zinc/29/90/26/176299026.db2.gz RYMDEQXEIKJZMR-JLLWLGSASA-N 2 2 228.336 -0.246 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@@H]1O ZINC000351582852 176299025 /nfs/dbraw/zinc/29/90/25/176299025.db2.gz RYMDEQXEIKJZMR-JLLWLGSASA-N 2 2 228.336 -0.246 20 0 BBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@@H]1O ZINC000351582852 176299024 /nfs/dbraw/zinc/29/90/24/176299024.db2.gz RYMDEQXEIKJZMR-JLLWLGSASA-N 2 2 228.336 -0.246 20 0 BBADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@@H]1O ZINC000351582853 176295490 /nfs/dbraw/zinc/29/54/90/176295490.db2.gz RYMDEQXEIKJZMR-USWWRNFRSA-N 2 2 228.336 -0.246 20 0 BBADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@@H]1O ZINC000351582853 176295489 /nfs/dbraw/zinc/29/54/89/176295489.db2.gz RYMDEQXEIKJZMR-USWWRNFRSA-N 2 2 228.336 -0.246 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@@H]1O ZINC000351582853 176295487 /nfs/dbraw/zinc/29/54/87/176295487.db2.gz RYMDEQXEIKJZMR-USWWRNFRSA-N 2 2 228.336 -0.246 20 0 BBADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@@H]1O ZINC000351582853 176295485 /nfs/dbraw/zinc/29/54/85/176295485.db2.gz RYMDEQXEIKJZMR-USWWRNFRSA-N 2 2 228.336 -0.246 20 0 BBADLP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@H]1O ZINC000351582854 176298498 /nfs/dbraw/zinc/29/84/98/176298498.db2.gz RYMDEQXEIKJZMR-YUSALJHKSA-N 2 2 228.336 -0.246 20 0 BBADLP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@H]1O ZINC000351582854 176298497 /nfs/dbraw/zinc/29/84/97/176298497.db2.gz RYMDEQXEIKJZMR-YUSALJHKSA-N 2 2 228.336 -0.246 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H]1O ZINC000351582854 176298495 /nfs/dbraw/zinc/29/84/95/176298495.db2.gz RYMDEQXEIKJZMR-YUSALJHKSA-N 2 2 228.336 -0.246 20 0 BBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H]1O ZINC000351582854 176298493 /nfs/dbraw/zinc/29/84/93/176298493.db2.gz RYMDEQXEIKJZMR-YUSALJHKSA-N 2 2 228.336 -0.246 20 0 BBADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC(O)C1)C1CC1 ZINC000351585452 356022109 /nfs/dbraw/zinc/02/21/09/356022109.db2.gz YMQPFJRRARSVQQ-HTAVTVPLSA-N 2 2 228.336 -0.103 20 0 BBADLP C[NH+](C[C@@H](O)C[N@H+](C)C1CC(O)C1)C1CC1 ZINC000351585452 356022104 /nfs/dbraw/zinc/02/21/04/356022104.db2.gz YMQPFJRRARSVQQ-HTAVTVPLSA-N 2 2 228.336 -0.103 20 0 BBADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CC(O)C1 ZINC000351585452 356022102 /nfs/dbraw/zinc/02/21/02/356022102.db2.gz YMQPFJRRARSVQQ-HTAVTVPLSA-N 2 2 228.336 -0.103 20 0 BBADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CC(O)C1 ZINC000351585452 356022097 /nfs/dbraw/zinc/02/20/97/356022097.db2.gz YMQPFJRRARSVQQ-HTAVTVPLSA-N 2 2 228.336 -0.103 20 0 BBADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC(O)C1)C1CC1 ZINC000351585453 356021463 /nfs/dbraw/zinc/02/14/63/356021463.db2.gz YMQPFJRRARSVQQ-MCIGGMRASA-N 2 2 228.336 -0.103 20 0 BBADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC(O)C1)C1CC1 ZINC000351585453 356021459 /nfs/dbraw/zinc/02/14/59/356021459.db2.gz YMQPFJRRARSVQQ-MCIGGMRASA-N 2 2 228.336 -0.103 20 0 BBADLP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CC(O)C1 ZINC000351585453 356021455 /nfs/dbraw/zinc/02/14/55/356021455.db2.gz YMQPFJRRARSVQQ-MCIGGMRASA-N 2 2 228.336 -0.103 20 0 BBADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CC(O)C1 ZINC000351585453 356021449 /nfs/dbraw/zinc/02/14/49/356021449.db2.gz YMQPFJRRARSVQQ-MCIGGMRASA-N 2 2 228.336 -0.103 20 0 BBADLP C[NH+](C[C@@H](O)C[N@H+]1C[C@H](O)C2(CC2)C1)C1CC1 ZINC000351592338 356024215 /nfs/dbraw/zinc/02/42/15/356024215.db2.gz JYTGNJGDGXCLAZ-NEPJUHHUSA-N 2 2 240.347 -0.102 20 0 BBADLP C[NH+](C[C@@H](O)C[N@@H+]1C[C@H](O)C2(CC2)C1)C1CC1 ZINC000351592338 356024208 /nfs/dbraw/zinc/02/42/08/356024208.db2.gz JYTGNJGDGXCLAZ-NEPJUHHUSA-N 2 2 240.347 -0.102 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH+]1C[C@H](O)C2(CC2)C1)C1CC1 ZINC000351592338 356024204 /nfs/dbraw/zinc/02/42/04/356024204.db2.gz JYTGNJGDGXCLAZ-NEPJUHHUSA-N 2 2 240.347 -0.102 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH+]1C[C@H](O)C2(CC2)C1)C1CC1 ZINC000351592338 356024199 /nfs/dbraw/zinc/02/41/99/356024199.db2.gz JYTGNJGDGXCLAZ-NEPJUHHUSA-N 2 2 240.347 -0.102 20 0 BBADLP C[NH+](C[C@H](O)C[N@H+]1C[C@@H](O)C2(CC2)C1)C1CC1 ZINC000351592339 356023585 /nfs/dbraw/zinc/02/35/85/356023585.db2.gz JYTGNJGDGXCLAZ-NWDGAFQWSA-N 2 2 240.347 -0.102 20 0 BBADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H](O)C2(CC2)C1)C1CC1 ZINC000351592339 356023583 /nfs/dbraw/zinc/02/35/83/356023583.db2.gz JYTGNJGDGXCLAZ-NWDGAFQWSA-N 2 2 240.347 -0.102 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H](O)C2(CC2)C1)C1CC1 ZINC000351592339 356023580 /nfs/dbraw/zinc/02/35/80/356023580.db2.gz JYTGNJGDGXCLAZ-NWDGAFQWSA-N 2 2 240.347 -0.102 20 0 BBADLP C[N@H+](C[C@H](O)C[NH+]1C[C@@H](O)C2(CC2)C1)C1CC1 ZINC000351592339 356023579 /nfs/dbraw/zinc/02/35/79/356023579.db2.gz JYTGNJGDGXCLAZ-NWDGAFQWSA-N 2 2 240.347 -0.102 20 0 BBADLP C[NH+](C[C@H](O)C[N@H+]1C[C@H](O)C2(CC2)C1)C1CC1 ZINC000351592340 356024149 /nfs/dbraw/zinc/02/41/49/356024149.db2.gz JYTGNJGDGXCLAZ-RYUDHWBXSA-N 2 2 240.347 -0.102 20 0 BBADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@H](O)C2(CC2)C1)C1CC1 ZINC000351592340 356024144 /nfs/dbraw/zinc/02/41/44/356024144.db2.gz JYTGNJGDGXCLAZ-RYUDHWBXSA-N 2 2 240.347 -0.102 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@H](O)C2(CC2)C1)C1CC1 ZINC000351592340 356024141 /nfs/dbraw/zinc/02/41/41/356024141.db2.gz JYTGNJGDGXCLAZ-RYUDHWBXSA-N 2 2 240.347 -0.102 20 0 BBADLP C[N@H+](C[C@H](O)C[NH+]1C[C@H](O)C2(CC2)C1)C1CC1 ZINC000351592340 356024134 /nfs/dbraw/zinc/02/41/34/356024134.db2.gz JYTGNJGDGXCLAZ-RYUDHWBXSA-N 2 2 240.347 -0.102 20 0 BBADLP C[NH+](C[C@@H](O)C[N@H+]1C[C@@H](O)C2(CC2)C1)C1CC1 ZINC000351592341 356024095 /nfs/dbraw/zinc/02/40/95/356024095.db2.gz JYTGNJGDGXCLAZ-VXGBXAGGSA-N 2 2 240.347 -0.102 20 0 BBADLP C[NH+](C[C@@H](O)C[N@@H+]1C[C@@H](O)C2(CC2)C1)C1CC1 ZINC000351592341 356024089 /nfs/dbraw/zinc/02/40/89/356024089.db2.gz JYTGNJGDGXCLAZ-VXGBXAGGSA-N 2 2 240.347 -0.102 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH+]1C[C@@H](O)C2(CC2)C1)C1CC1 ZINC000351592341 356024085 /nfs/dbraw/zinc/02/40/85/356024085.db2.gz JYTGNJGDGXCLAZ-VXGBXAGGSA-N 2 2 240.347 -0.102 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH+]1C[C@@H](O)C2(CC2)C1)C1CC1 ZINC000351592341 356024081 /nfs/dbraw/zinc/02/40/81/356024081.db2.gz JYTGNJGDGXCLAZ-VXGBXAGGSA-N 2 2 240.347 -0.102 20 0 BBADLP OC[C@H]1C[C@@H](O)C[N@H+]1CCCn1cc[nH+]c1 ZINC000352021592 134037082 /nfs/dbraw/zinc/03/70/82/134037082.db2.gz MGBBWVZIERHNDO-GHMZBOCLSA-N 2 2 225.292 -0.299 20 0 BBADLP OC[C@H]1C[C@@H](O)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000352021592 134037081 /nfs/dbraw/zinc/03/70/81/134037081.db2.gz MGBBWVZIERHNDO-GHMZBOCLSA-N 2 2 225.292 -0.299 20 0 BBADLP OC[C@H]1C[C@H](O)C[N@H+]1CCCn1cc[nH+]c1 ZINC000352021593 134037106 /nfs/dbraw/zinc/03/71/06/134037106.db2.gz MGBBWVZIERHNDO-MNOVXSKESA-N 2 2 225.292 -0.299 20 0 BBADLP OC[C@H]1C[C@H](O)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000352021593 134037105 /nfs/dbraw/zinc/03/71/05/134037105.db2.gz MGBBWVZIERHNDO-MNOVXSKESA-N 2 2 225.292 -0.299 20 0 BBADLP OC[C@@H]1C[C@H](O)C[N@H+]1CCCn1cc[nH+]c1 ZINC000352021594 134037489 /nfs/dbraw/zinc/03/74/89/134037489.db2.gz MGBBWVZIERHNDO-QWRGUYRKSA-N 2 2 225.292 -0.299 20 0 BBADLP OC[C@@H]1C[C@H](O)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000352021594 134037488 /nfs/dbraw/zinc/03/74/88/134037488.db2.gz MGBBWVZIERHNDO-QWRGUYRKSA-N 2 2 225.292 -0.299 20 0 BBADLP OC[C@@H]1C[C@@H](O)C[N@H+]1CCCn1cc[nH+]c1 ZINC000352021595 134037067 /nfs/dbraw/zinc/03/70/67/134037067.db2.gz MGBBWVZIERHNDO-WDEREUQCSA-N 2 2 225.292 -0.299 20 0 BBADLP OC[C@@H]1C[C@@H](O)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000352021595 134037066 /nfs/dbraw/zinc/03/70/66/134037066.db2.gz MGBBWVZIERHNDO-WDEREUQCSA-N 2 2 225.292 -0.299 20 0 BBADLP CC(C)[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000352074304 134055241 /nfs/dbraw/zinc/05/52/41/134055241.db2.gz HYQXWFUOYMGVTO-LLVKDONJSA-N 2 2 241.335 -0.474 20 0 BBADLP CC(C)[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000352074304 134055240 /nfs/dbraw/zinc/05/52/40/134055240.db2.gz HYQXWFUOYMGVTO-LLVKDONJSA-N 2 2 241.335 -0.474 20 0 BBADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000352074305 134055351 /nfs/dbraw/zinc/05/53/51/134055351.db2.gz HYQXWFUOYMGVTO-NSHDSACASA-N 2 2 241.335 -0.474 20 0 BBADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000352074305 134055350 /nfs/dbraw/zinc/05/53/50/134055350.db2.gz HYQXWFUOYMGVTO-NSHDSACASA-N 2 2 241.335 -0.474 20 0 BBADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1(CO)CC1)C1CC1 ZINC000352115237 134071146 /nfs/dbraw/zinc/07/11/46/134071146.db2.gz JCKGRDZGFJFNPI-LLVKDONJSA-N 2 2 228.336 -0.102 20 0 BBADLP C[NH+](C[C@@H](O)C[N@H+](C)C1(CO)CC1)C1CC1 ZINC000352115237 134071145 /nfs/dbraw/zinc/07/11/45/134071145.db2.gz JCKGRDZGFJFNPI-LLVKDONJSA-N 2 2 228.336 -0.102 20 0 BBADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1(CO)CC1 ZINC000352115237 134071144 /nfs/dbraw/zinc/07/11/44/134071144.db2.gz JCKGRDZGFJFNPI-LLVKDONJSA-N 2 2 228.336 -0.102 20 0 BBADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1(CO)CC1 ZINC000352115237 134071143 /nfs/dbraw/zinc/07/11/43/134071143.db2.gz JCKGRDZGFJFNPI-LLVKDONJSA-N 2 2 228.336 -0.102 20 0 BBADLP C[NH+](C[C@H](O)C[N@@H+](C)C1(CO)CC1)C1CC1 ZINC000352115238 134071073 /nfs/dbraw/zinc/07/10/73/134071073.db2.gz JCKGRDZGFJFNPI-NSHDSACASA-N 2 2 228.336 -0.102 20 0 BBADLP C[NH+](C[C@H](O)C[N@H+](C)C1(CO)CC1)C1CC1 ZINC000352115238 134071072 /nfs/dbraw/zinc/07/10/72/134071072.db2.gz JCKGRDZGFJFNPI-NSHDSACASA-N 2 2 228.336 -0.102 20 0 BBADLP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1(CO)CC1 ZINC000352115238 134071071 /nfs/dbraw/zinc/07/10/71/134071071.db2.gz JCKGRDZGFJFNPI-NSHDSACASA-N 2 2 228.336 -0.102 20 0 BBADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1(CO)CC1 ZINC000352115238 134071070 /nfs/dbraw/zinc/07/10/70/134071070.db2.gz JCKGRDZGFJFNPI-NSHDSACASA-N 2 2 228.336 -0.102 20 0 BBADLP C[NH+](CCC(N)=O)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352115545 134072040 /nfs/dbraw/zinc/07/20/40/134072040.db2.gz MDGAOXHLNZXPGA-JTQLQIEISA-N 2 2 229.324 -0.751 20 0 BBADLP C[NH+](CCC(N)=O)C[C@H](O)C[N@H+](C)C1CC1 ZINC000352115545 134072039 /nfs/dbraw/zinc/07/20/39/134072039.db2.gz MDGAOXHLNZXPGA-JTQLQIEISA-N 2 2 229.324 -0.751 20 0 BBADLP C[NH+](C[C@@H](O)C[N@@H+](C)CCC(N)=O)C1CC1 ZINC000352115545 134072038 /nfs/dbraw/zinc/07/20/38/134072038.db2.gz MDGAOXHLNZXPGA-JTQLQIEISA-N 2 2 229.324 -0.751 20 0 BBADLP C[NH+](C[C@@H](O)C[N@H+](C)CCC(N)=O)C1CC1 ZINC000352115545 134072037 /nfs/dbraw/zinc/07/20/37/134072037.db2.gz MDGAOXHLNZXPGA-JTQLQIEISA-N 2 2 229.324 -0.751 20 0 BBADLP C[NH+](CCC(N)=O)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352115546 134071711 /nfs/dbraw/zinc/07/17/11/134071711.db2.gz MDGAOXHLNZXPGA-SNVBAGLBSA-N 2 2 229.324 -0.751 20 0 BBADLP C[NH+](CCC(N)=O)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352115546 134071710 /nfs/dbraw/zinc/07/17/10/134071710.db2.gz MDGAOXHLNZXPGA-SNVBAGLBSA-N 2 2 229.324 -0.751 20 0 BBADLP C[NH+](C[C@H](O)C[N@@H+](C)CCC(N)=O)C1CC1 ZINC000352115546 134071709 /nfs/dbraw/zinc/07/17/09/134071709.db2.gz MDGAOXHLNZXPGA-SNVBAGLBSA-N 2 2 229.324 -0.751 20 0 BBADLP C[NH+](C[C@H](O)C[N@H+](C)CCC(N)=O)C1CC1 ZINC000352115546 134071708 /nfs/dbraw/zinc/07/17/08/134071708.db2.gz MDGAOXHLNZXPGA-SNVBAGLBSA-N 2 2 229.324 -0.751 20 0 BBADLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](C)O ZINC000352221492 134109533 /nfs/dbraw/zinc/10/95/33/134109533.db2.gz MOFAXAQQPQSPEL-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](C)O ZINC000352221492 134109532 /nfs/dbraw/zinc/10/95/32/134109532.db2.gz MOFAXAQQPQSPEL-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](C)O ZINC000352221493 134109412 /nfs/dbraw/zinc/10/94/12/134109412.db2.gz MOFAXAQQPQSPEL-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](C)O ZINC000352221493 134109411 /nfs/dbraw/zinc/10/94/11/134109411.db2.gz MOFAXAQQPQSPEL-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP C[N@@H+](CCOCCO)C1CC[NH+](CCO)CC1 ZINC000352258329 536395924 /nfs/dbraw/zinc/39/59/24/536395924.db2.gz VOTVBQFMKCZOAT-UHFFFAOYSA-N 2 2 246.351 -0.616 20 0 BBADLP C[N@H+](CCOCCO)C1CC[NH+](CCO)CC1 ZINC000352258329 536395921 /nfs/dbraw/zinc/39/59/21/536395921.db2.gz VOTVBQFMKCZOAT-UHFFFAOYSA-N 2 2 246.351 -0.616 20 0 BBADLP C[NH+](C)CC(=O)NCC[NH+]1CCSCC1 ZINC000352463783 387227916 /nfs/dbraw/zinc/22/79/16/387227916.db2.gz ZHDJVKRANVTYIC-UHFFFAOYSA-N 2 2 231.365 -0.287 20 0 BBADLP Cc1cnn(C)c1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000352735748 387465308 /nfs/dbraw/zinc/46/53/08/387465308.db2.gz DHMDUTSIRLDSIW-GFCCVEGCSA-N 2 2 238.335 -0.115 20 0 BBADLP Cc1cnn(C)c1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000352735748 387465304 /nfs/dbraw/zinc/46/53/04/387465304.db2.gz DHMDUTSIRLDSIW-GFCCVEGCSA-N 2 2 238.335 -0.115 20 0 BBADLP Cc1cnn(C)c1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000352735749 387464941 /nfs/dbraw/zinc/46/49/41/387464941.db2.gz DHMDUTSIRLDSIW-LBPRGKRZSA-N 2 2 238.335 -0.115 20 0 BBADLP Cc1cnn(C)c1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000352735749 387464938 /nfs/dbraw/zinc/46/49/38/387464938.db2.gz DHMDUTSIRLDSIW-LBPRGKRZSA-N 2 2 238.335 -0.115 20 0 BBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1(CO)CC1 ZINC000353176442 173067533 /nfs/dbraw/zinc/06/75/33/173067533.db2.gz ZALRLUKSPPNKLC-UHFFFAOYSA-N 2 2 241.335 -0.783 20 0 BBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C1(CO)CC1 ZINC000353176442 173067531 /nfs/dbraw/zinc/06/75/31/173067531.db2.gz ZALRLUKSPPNKLC-UHFFFAOYSA-N 2 2 241.335 -0.783 20 0 BBADLP CO[C@H](C)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000353215658 387158488 /nfs/dbraw/zinc/15/84/88/387158488.db2.gz CHFXYJMXNNXNPK-LLVKDONJSA-N 2 2 243.351 -0.273 20 0 BBADLP CO[C@H](C)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000353215658 387158485 /nfs/dbraw/zinc/15/84/85/387158485.db2.gz CHFXYJMXNNXNPK-LLVKDONJSA-N 2 2 243.351 -0.273 20 0 BBADLP CO[C@@H](C)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000353215660 387158120 /nfs/dbraw/zinc/15/81/20/387158120.db2.gz CHFXYJMXNNXNPK-NSHDSACASA-N 2 2 243.351 -0.273 20 0 BBADLP CO[C@@H](C)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000353215660 387158114 /nfs/dbraw/zinc/15/81/14/387158114.db2.gz CHFXYJMXNNXNPK-NSHDSACASA-N 2 2 243.351 -0.273 20 0 BBADLP C[NH2+]CCC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000353392101 173340277 /nfs/dbraw/zinc/34/02/77/173340277.db2.gz WVNJOAYBBJBBDP-VHSXEESVSA-N 2 2 227.308 -0.863 20 0 BBADLP C[NH2+]CCC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000353392101 173340276 /nfs/dbraw/zinc/34/02/76/173340276.db2.gz WVNJOAYBBJBBDP-VHSXEESVSA-N 2 2 227.308 -0.863 20 0 BBADLP C[N@H+]1CCO[C@@H]2CN(C(=O)C(C)(C)[NH3+])C[C@@H]21 ZINC000353398939 173104692 /nfs/dbraw/zinc/10/46/92/173104692.db2.gz LSLZIBIQPLWTMO-DTWKUNHWSA-N 2 2 227.308 -0.735 20 0 BBADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)C(C)(C)[NH3+])C[C@@H]21 ZINC000353398939 173104691 /nfs/dbraw/zinc/10/46/91/173104691.db2.gz LSLZIBIQPLWTMO-DTWKUNHWSA-N 2 2 227.308 -0.735 20 0 BBADLP C[NH2+]CCCC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000353407740 173343796 /nfs/dbraw/zinc/34/37/96/173343796.db2.gz XRKVDXHMLDSYGU-WDEREUQCSA-N 2 2 241.335 -0.473 20 0 BBADLP C[NH2+]CCCC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000353407740 173343795 /nfs/dbraw/zinc/34/37/95/173343795.db2.gz XRKVDXHMLDSYGU-WDEREUQCSA-N 2 2 241.335 -0.473 20 0 BBADLP C[N@H+]1CCO[C@@H]2CN(C(=O)CCC[NH3+])C[C@@H]21 ZINC000353408739 173104714 /nfs/dbraw/zinc/10/47/14/173104714.db2.gz YXSLOJRFFJCSAR-VHSXEESVSA-N 2 2 227.308 -0.733 20 0 BBADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)CCC[NH3+])C[C@@H]21 ZINC000353408739 173104713 /nfs/dbraw/zinc/10/47/13/173104713.db2.gz YXSLOJRFFJCSAR-VHSXEESVSA-N 2 2 227.308 -0.733 20 0 BBADLP CO[C@H](C[NH3+])C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000353428306 387200276 /nfs/dbraw/zinc/20/02/76/387200276.db2.gz MKYGOCARTGYVOC-NXEZZACHSA-N 2 2 240.307 -0.391 20 0 BBADLP CO[C@@H](C[NH3+])C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000353428307 387199086 /nfs/dbraw/zinc/19/90/86/387199086.db2.gz MKYGOCARTGYVOC-UWVGGRQHSA-N 2 2 240.307 -0.391 20 0 BBADLP CO[C@H](C[NH3+])C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000353428308 387200305 /nfs/dbraw/zinc/20/03/05/387200305.db2.gz MKYGOCARTGYVOC-VHSXEESVSA-N 2 2 240.307 -0.391 20 0 BBADLP CO[C@@H](C[NH3+])C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000353428309 387200340 /nfs/dbraw/zinc/20/03/40/387200340.db2.gz MKYGOCARTGYVOC-ZJUUUORDSA-N 2 2 240.307 -0.391 20 0 BBADLP CC[N@H+]1CCO[C@@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000353473461 170002389 /nfs/dbraw/zinc/00/23/89/170002389.db2.gz DVVNIUFCXIDZPY-SECBINFHSA-N 2 2 238.291 -0.253 20 0 BBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000353473461 170002387 /nfs/dbraw/zinc/00/23/87/170002387.db2.gz DVVNIUFCXIDZPY-SECBINFHSA-N 2 2 238.291 -0.253 20 0 BBADLP CC[N@H+]1CCO[C@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000353473477 170005956 /nfs/dbraw/zinc/00/59/56/170005956.db2.gz DVVNIUFCXIDZPY-VIFPVBQESA-N 2 2 238.291 -0.253 20 0 BBADLP CC[N@@H+]1CCO[C@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000353473477 170005954 /nfs/dbraw/zinc/00/59/54/170005954.db2.gz DVVNIUFCXIDZPY-VIFPVBQESA-N 2 2 238.291 -0.253 20 0 BBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1CC(O)C1 ZINC000353479904 173068135 /nfs/dbraw/zinc/06/81/35/173068135.db2.gz BASFUNFNSDONPT-UHFFFAOYSA-N 2 2 241.335 -0.785 20 0 BBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C1CC(O)C1 ZINC000353479904 173068134 /nfs/dbraw/zinc/06/81/34/173068134.db2.gz BASFUNFNSDONPT-UHFFFAOYSA-N 2 2 241.335 -0.785 20 0 BBADLP CCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000353574413 169389734 /nfs/dbraw/zinc/38/97/34/169389734.db2.gz BUXARWBOXQCIHH-GHMZBOCLSA-N 2 2 243.351 -0.049 20 0 BBADLP CCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000353574413 169389732 /nfs/dbraw/zinc/38/97/32/169389732.db2.gz BUXARWBOXQCIHH-GHMZBOCLSA-N 2 2 243.351 -0.049 20 0 BBADLP CCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000353574414 386062726 /nfs/dbraw/zinc/06/27/26/386062726.db2.gz BUXARWBOXQCIHH-MNOVXSKESA-N 2 2 243.351 -0.049 20 0 BBADLP CCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000353574415 386063613 /nfs/dbraw/zinc/06/36/13/386063613.db2.gz BUXARWBOXQCIHH-QWRGUYRKSA-N 2 2 243.351 -0.049 20 0 BBADLP CCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000353574416 169389726 /nfs/dbraw/zinc/38/97/26/169389726.db2.gz BUXARWBOXQCIHH-WDEREUQCSA-N 2 2 243.351 -0.049 20 0 BBADLP CCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000353574416 169389724 /nfs/dbraw/zinc/38/97/24/169389724.db2.gz BUXARWBOXQCIHH-WDEREUQCSA-N 2 2 243.351 -0.049 20 0 BBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C1([NH3+])CC1 ZINC000353577046 176335316 /nfs/dbraw/zinc/33/53/16/176335316.db2.gz 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/nfs/dbraw/zinc/37/29/94/187372994.db2.gz RKVUFGROLPSDNB-MNOVXSKESA-N 2 2 243.351 -0.193 20 0 BBADLP CC(C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000353580001 187208817 /nfs/dbraw/zinc/20/88/17/187208817.db2.gz RKVUFGROLPSDNB-QWRGUYRKSA-N 2 2 243.351 -0.193 20 0 BBADLP CC(C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000353580001 187208815 /nfs/dbraw/zinc/20/88/15/187208815.db2.gz RKVUFGROLPSDNB-QWRGUYRKSA-N 2 2 243.351 -0.193 20 0 BBADLP CC(C)[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000353580002 387233458 /nfs/dbraw/zinc/23/34/58/387233458.db2.gz RKVUFGROLPSDNB-WDEREUQCSA-N 2 2 243.351 -0.193 20 0 BBADLP COCC[NH+]1CCC([NH2+][C@H](CO)COC)CC1 ZINC000353658199 174304408 /nfs/dbraw/zinc/30/44/08/174304408.db2.gz KGGOMILWDAEXQA-GFCCVEGCSA-N 2 2 246.351 -0.306 20 0 BBADLP COCC[NH+]1CCC([NH2+][C@@H](CO)COC)CC1 ZINC000353658208 174304389 /nfs/dbraw/zinc/30/43/89/174304389.db2.gz KGGOMILWDAEXQA-LBPRGKRZSA-N 2 2 246.351 -0.306 20 0 BBADLP [NH3+]C1(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000353668526 181324758 /nfs/dbraw/zinc/32/47/58/181324758.db2.gz NYWNBPIDXABVFS-UHFFFAOYSA-N 2 2 249.318 -0.455 20 0 BBADLP C[C@H]([NH3+])C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000353670206 387255863 /nfs/dbraw/zinc/25/58/63/387255863.db2.gz ZXOWMLUQRSAKLU-VIFPVBQESA-N 2 2 237.307 -0.599 20 0 BBADLP [NH3+]C1(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000353674320 181327226 /nfs/dbraw/zinc/32/72/26/181327226.db2.gz CDTQLBFJKFNGCP-JTQLQIEISA-N 2 2 239.319 -0.543 20 0 BBADLP [NH3+]C1(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000353674320 181327223 /nfs/dbraw/zinc/32/72/23/181327223.db2.gz CDTQLBFJKFNGCP-JTQLQIEISA-N 2 2 239.319 -0.543 20 0 BBADLP [NH3+]C1(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000353674331 181326047 /nfs/dbraw/zinc/32/60/47/181326047.db2.gz CDTQLBFJKFNGCP-SNVBAGLBSA-N 2 2 239.319 -0.543 20 0 BBADLP [NH3+]C1(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000353674331 181326045 /nfs/dbraw/zinc/32/60/45/181326045.db2.gz CDTQLBFJKFNGCP-SNVBAGLBSA-N 2 2 239.319 -0.543 20 0 BBADLP CC[N@H+]1CCO[C@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000353909126 170006817 /nfs/dbraw/zinc/00/68/17/170006817.db2.gz MWVQIQBGLHLCKW-JTQLQIEISA-N 2 2 238.291 -0.253 20 0 BBADLP CC[N@@H+]1CCO[C@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000353909126 170006816 /nfs/dbraw/zinc/00/68/16/170006816.db2.gz MWVQIQBGLHLCKW-JTQLQIEISA-N 2 2 238.291 -0.253 20 0 BBADLP CC[N@H+]1CCO[C@@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000353909127 170003425 /nfs/dbraw/zinc/00/34/25/170003425.db2.gz MWVQIQBGLHLCKW-SNVBAGLBSA-N 2 2 238.291 -0.253 20 0 BBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000353909127 170003424 /nfs/dbraw/zinc/00/34/24/170003424.db2.gz MWVQIQBGLHLCKW-SNVBAGLBSA-N 2 2 238.291 -0.253 20 0 BBADLP COC[C@H]([NH3+])C(=O)N(C)CCCn1cc[nH+]c1 ZINC000354068988 387325549 /nfs/dbraw/zinc/32/55/49/387325549.db2.gz VXQUJGSQTDUGBN-JTQLQIEISA-N 2 2 240.307 -0.295 20 0 BBADLP COC[C@@H]([NH3+])C(=O)N(C)CCCn1cc[nH+]c1 ZINC000354068989 387325634 /nfs/dbraw/zinc/32/56/34/387325634.db2.gz VXQUJGSQTDUGBN-SNVBAGLBSA-N 2 2 240.307 -0.295 20 0 BBADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC000354603961 344999753 /nfs/dbraw/zinc/99/97/53/344999753.db2.gz SOSOPJWEDSPXLH-MRVPVSSYSA-N 2 2 242.323 -0.356 20 0 BBADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC000354603965 344999629 /nfs/dbraw/zinc/99/96/29/344999629.db2.gz SOSOPJWEDSPXLH-QMMMGPOBSA-N 2 2 242.323 -0.356 20 0 BBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCC2)C1 ZINC000355135464 170003567 /nfs/dbraw/zinc/00/35/67/170003567.db2.gz BBYXAAQMEMEJSE-LLVKDONJSA-N 2 2 241.335 -0.471 20 0 BBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCC2)C1 ZINC000355135464 170003565 /nfs/dbraw/zinc/00/35/65/170003565.db2.gz BBYXAAQMEMEJSE-LLVKDONJSA-N 2 2 241.335 -0.471 20 0 BBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CCC2)C1 ZINC000355135465 170004363 /nfs/dbraw/zinc/00/43/63/170004363.db2.gz BBYXAAQMEMEJSE-NSHDSACASA-N 2 2 241.335 -0.471 20 0 BBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CCC2)C1 ZINC000355135465 170004361 /nfs/dbraw/zinc/00/43/61/170004361.db2.gz BBYXAAQMEMEJSE-NSHDSACASA-N 2 2 241.335 -0.471 20 0 BBADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[NH+](C)C ZINC000355694683 177290622 /nfs/dbraw/zinc/29/06/22/177290622.db2.gz GGHMWSDQPAVFHF-JTQLQIEISA-N 2 2 229.324 -0.615 20 0 BBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[NH+](C)C ZINC000355694683 177290621 /nfs/dbraw/zinc/29/06/21/177290621.db2.gz GGHMWSDQPAVFHF-JTQLQIEISA-N 2 2 229.324 -0.615 20 0 BBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[NH+](C)C ZINC000355694684 176336088 /nfs/dbraw/zinc/33/60/88/176336088.db2.gz GGHMWSDQPAVFHF-SNVBAGLBSA-N 2 2 229.324 -0.615 20 0 BBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[NH+](C)C ZINC000355694684 176336086 /nfs/dbraw/zinc/33/60/86/176336086.db2.gz GGHMWSDQPAVFHF-SNVBAGLBSA-N 2 2 229.324 -0.615 20 0 BBADLP CN(CCCNC(=O)C[NH+](C)C)CC[NH+](C)C ZINC000356521805 387669724 /nfs/dbraw/zinc/66/97/24/387669724.db2.gz KPUZIPZYJVRJRR-UHFFFAOYSA-N 2 2 244.383 -0.452 20 0 BBADLP CN(C)CC[N@@H+](C)CCCNC(=O)C[NH+](C)C ZINC000356521805 387669719 /nfs/dbraw/zinc/66/97/19/387669719.db2.gz KPUZIPZYJVRJRR-UHFFFAOYSA-N 2 2 244.383 -0.452 20 0 BBADLP CN(C)CC[N@H+](C)CCCNC(=O)C[NH+](C)C ZINC000356521805 387669712 /nfs/dbraw/zinc/66/97/12/387669712.db2.gz KPUZIPZYJVRJRR-UHFFFAOYSA-N 2 2 244.383 -0.452 20 0 BBADLP C[C@@H](C(=O)NCC[NH+](C)C)[NH+]1CCOCC1 ZINC000356653382 387687231 /nfs/dbraw/zinc/68/72/31/387687231.db2.gz ZGHDGSFSPKDALV-JTQLQIEISA-N 2 2 229.324 -0.615 20 0 BBADLP C[C@H](C(=O)NCC[NH+](C)C)[NH+]1CCOCC1 ZINC000356653384 176572064 /nfs/dbraw/zinc/57/20/64/176572064.db2.gz ZGHDGSFSPKDALV-SNVBAGLBSA-N 2 2 229.324 -0.615 20 0 BBADLP Cn1c[nH+]cc1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000356753309 538815921 /nfs/dbraw/zinc/81/59/21/538815921.db2.gz GRCSDLZKNJRKJV-JTQLQIEISA-N 2 2 238.291 -0.633 20 0 BBADLP Cn1c[nH+]cc1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000356753309 538815918 /nfs/dbraw/zinc/81/59/18/538815918.db2.gz GRCSDLZKNJRKJV-JTQLQIEISA-N 2 2 238.291 -0.633 20 0 BBADLP Cn1c[nH+]cc1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000356753310 538816772 /nfs/dbraw/zinc/81/67/72/538816772.db2.gz GRCSDLZKNJRKJV-SNVBAGLBSA-N 2 2 238.291 -0.633 20 0 BBADLP Cn1c[nH+]cc1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000356753310 538816766 /nfs/dbraw/zinc/81/67/66/538816766.db2.gz GRCSDLZKNJRKJV-SNVBAGLBSA-N 2 2 238.291 -0.633 20 0 BBADLP C[C@@H](O)C[N@H+]1CCN(C(=O)C[NH+](C)C)[C@H](C)C1 ZINC000356901387 384548874 /nfs/dbraw/zinc/54/88/74/384548874.db2.gz IOEAYNDLPZSMNU-GHMZBOCLSA-N 2 2 243.351 -0.539 20 0 BBADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)C[NH+](C)C)[C@H](C)C1 ZINC000356901387 384548864 /nfs/dbraw/zinc/54/88/64/384548864.db2.gz IOEAYNDLPZSMNU-GHMZBOCLSA-N 2 2 243.351 -0.539 20 0 BBADLP C[C@H](O)C[N@H+]1CCN(C(=O)C[NH+](C)C)[C@H](C)C1 ZINC000356901390 384550454 /nfs/dbraw/zinc/55/04/54/384550454.db2.gz IOEAYNDLPZSMNU-MNOVXSKESA-N 2 2 243.351 -0.539 20 0 BBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C[NH+](C)C)[C@H](C)C1 ZINC000356901390 384550449 /nfs/dbraw/zinc/55/04/49/384550449.db2.gz IOEAYNDLPZSMNU-MNOVXSKESA-N 2 2 243.351 -0.539 20 0 BBADLP C[C@H](O)C[N@H+]1CCN(C(=O)C[NH+](C)C)[C@@H](C)C1 ZINC000356901394 384548504 /nfs/dbraw/zinc/54/85/04/384548504.db2.gz IOEAYNDLPZSMNU-QWRGUYRKSA-N 2 2 243.351 -0.539 20 0 BBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C[NH+](C)C)[C@@H](C)C1 ZINC000356901394 384548485 /nfs/dbraw/zinc/54/84/85/384548485.db2.gz IOEAYNDLPZSMNU-QWRGUYRKSA-N 2 2 243.351 -0.539 20 0 BBADLP C[C@@H](O)C[N@H+]1CCN(C(=O)C[NH+](C)C)[C@@H](C)C1 ZINC000356901397 177255609 /nfs/dbraw/zinc/25/56/09/177255609.db2.gz IOEAYNDLPZSMNU-WDEREUQCSA-N 2 2 243.351 -0.539 20 0 BBADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)C[NH+](C)C)[C@@H](C)C1 ZINC000356901397 177255607 /nfs/dbraw/zinc/25/56/07/177255607.db2.gz IOEAYNDLPZSMNU-WDEREUQCSA-N 2 2 243.351 -0.539 20 0 BBADLP CCNC(=O)N1CC[NH+](CCOCC[NH3+])CC1 ZINC000357024535 170074294 /nfs/dbraw/zinc/07/42/94/170074294.db2.gz FNXPONSREQSQRE-UHFFFAOYSA-N 2 2 244.339 -0.691 20 0 BBADLP CC(C)C(=O)N1CC[NH+](CCOCC[NH3+])CC1 ZINC000357034071 386696665 /nfs/dbraw/zinc/69/66/65/386696665.db2.gz VFGFMELIUWZUOF-UHFFFAOYSA-N 2 2 243.351 -0.238 20 0 BBADLP CS(=O)(=O)NCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357067574 386706825 /nfs/dbraw/zinc/70/68/25/386706825.db2.gz CUAJJFZQNWVMOF-NXEZZACHSA-N 2 2 247.364 -0.923 20 0 BBADLP CS(=O)(=O)NCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357067574 386706819 /nfs/dbraw/zinc/70/68/19/386706819.db2.gz CUAJJFZQNWVMOF-NXEZZACHSA-N 2 2 247.364 -0.923 20 0 BBADLP CS(=O)(=O)NCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357067587 386707471 /nfs/dbraw/zinc/70/74/71/386707471.db2.gz CUAJJFZQNWVMOF-UWVGGRQHSA-N 2 2 247.364 -0.923 20 0 BBADLP CS(=O)(=O)NCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357067587 386707465 /nfs/dbraw/zinc/70/74/65/386707465.db2.gz CUAJJFZQNWVMOF-UWVGGRQHSA-N 2 2 247.364 -0.923 20 0 BBADLP CS(=O)(=O)NCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357067589 386707671 /nfs/dbraw/zinc/70/76/71/386707671.db2.gz CUAJJFZQNWVMOF-VHSXEESVSA-N 2 2 247.364 -0.923 20 0 BBADLP CS(=O)(=O)NCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357067589 386707666 /nfs/dbraw/zinc/70/76/66/386707666.db2.gz CUAJJFZQNWVMOF-VHSXEESVSA-N 2 2 247.364 -0.923 20 0 BBADLP CS(=O)(=O)NCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357067592 386708182 /nfs/dbraw/zinc/70/81/82/386708182.db2.gz CUAJJFZQNWVMOF-ZJUUUORDSA-N 2 2 247.364 -0.923 20 0 BBADLP CS(=O)(=O)NCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357067592 386708179 /nfs/dbraw/zinc/70/81/79/386708179.db2.gz CUAJJFZQNWVMOF-ZJUUUORDSA-N 2 2 247.364 -0.923 20 0 BBADLP [NH3+]CCOCC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000357076488 187377671 /nfs/dbraw/zinc/37/76/71/187377671.db2.gz PBNMMXXMRHBRJL-UHFFFAOYSA-N 2 2 227.308 -0.732 20 0 BBADLP [NH3+]CCOCC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000357076488 187377669 /nfs/dbraw/zinc/37/76/69/187377669.db2.gz PBNMMXXMRHBRJL-UHFFFAOYSA-N 2 2 227.308 -0.732 20 0 BBADLP Cn1nncc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357132966 387174141 /nfs/dbraw/zinc/17/41/41/387174141.db2.gz OFFYTRSFKXNLON-NXEZZACHSA-N 2 2 221.308 -0.144 20 0 BBADLP Cn1nncc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357132966 387174136 /nfs/dbraw/zinc/17/41/36/387174136.db2.gz OFFYTRSFKXNLON-NXEZZACHSA-N 2 2 221.308 -0.144 20 0 BBADLP Cn1nncc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357132967 180867569 /nfs/dbraw/zinc/86/75/69/180867569.db2.gz OFFYTRSFKXNLON-UWVGGRQHSA-N 2 2 221.308 -0.144 20 0 BBADLP Cn1nncc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357132967 180867567 /nfs/dbraw/zinc/86/75/67/180867567.db2.gz OFFYTRSFKXNLON-UWVGGRQHSA-N 2 2 221.308 -0.144 20 0 BBADLP Cn1nncc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357132968 388552568 /nfs/dbraw/zinc/55/25/68/388552568.db2.gz OFFYTRSFKXNLON-VHSXEESVSA-N 2 2 221.308 -0.144 20 0 BBADLP Cn1nncc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357132968 388552565 /nfs/dbraw/zinc/55/25/65/388552565.db2.gz OFFYTRSFKXNLON-VHSXEESVSA-N 2 2 221.308 -0.144 20 0 BBADLP Cn1nncc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357132970 388552089 /nfs/dbraw/zinc/55/20/89/388552089.db2.gz OFFYTRSFKXNLON-ZJUUUORDSA-N 2 2 221.308 -0.144 20 0 BBADLP Cn1nncc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357132970 388552087 /nfs/dbraw/zinc/55/20/87/388552087.db2.gz OFFYTRSFKXNLON-ZJUUUORDSA-N 2 2 221.308 -0.144 20 0 BBADLP COC[C@@H]([NH3+])C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000357204508 386735772 /nfs/dbraw/zinc/73/57/72/386735772.db2.gz ULUMSXCLAIHSNU-NXEZZACHSA-N 2 2 240.307 -0.391 20 0 BBADLP COC[C@H]([NH3+])C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000357204510 386736340 /nfs/dbraw/zinc/73/63/40/386736340.db2.gz ULUMSXCLAIHSNU-UWVGGRQHSA-N 2 2 240.307 -0.391 20 0 BBADLP COC[C@@H]([NH3+])C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000357204511 386737601 /nfs/dbraw/zinc/73/76/01/386737601.db2.gz ULUMSXCLAIHSNU-VHSXEESVSA-N 2 2 240.307 -0.391 20 0 BBADLP COC[C@H]([NH3+])C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000357204513 385272818 /nfs/dbraw/zinc/27/28/18/385272818.db2.gz ULUMSXCLAIHSNU-ZJUUUORDSA-N 2 2 240.307 -0.391 20 0 BBADLP CC[N@@H+](CCOC)CC(=O)N1CC[NH+](C)CC1 ZINC000357312099 386756415 /nfs/dbraw/zinc/75/64/15/386756415.db2.gz VKPMIGVAYZHPPZ-UHFFFAOYSA-N 2 2 243.351 -0.271 20 0 BBADLP CC[N@H+](CCOC)CC(=O)N1CC[NH+](C)CC1 ZINC000357312099 386756408 /nfs/dbraw/zinc/75/64/08/386756408.db2.gz VKPMIGVAYZHPPZ-UHFFFAOYSA-N 2 2 243.351 -0.271 20 0 BBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000357330205 173066994 /nfs/dbraw/zinc/06/69/94/173066994.db2.gz GYEINFWAXORRJB-LLVKDONJSA-N 2 2 241.335 -0.519 20 0 BBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000357330205 173066991 /nfs/dbraw/zinc/06/69/91/173066991.db2.gz GYEINFWAXORRJB-LLVKDONJSA-N 2 2 241.335 -0.519 20 0 BBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000357330206 173066725 /nfs/dbraw/zinc/06/67/25/173066725.db2.gz GYEINFWAXORRJB-NSHDSACASA-N 2 2 241.335 -0.519 20 0 BBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000357330206 173066724 /nfs/dbraw/zinc/06/67/24/173066724.db2.gz GYEINFWAXORRJB-NSHDSACASA-N 2 2 241.335 -0.519 20 0 BBADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1O ZINC000357612951 176283670 /nfs/dbraw/zinc/28/36/70/176283670.db2.gz DJCWZUUIAURVJQ-GHMZBOCLSA-N 2 2 241.335 -0.927 20 0 BBADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1O ZINC000357612951 176283668 /nfs/dbraw/zinc/28/36/68/176283668.db2.gz DJCWZUUIAURVJQ-GHMZBOCLSA-N 2 2 241.335 -0.927 20 0 BBADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1O ZINC000357612953 176283830 /nfs/dbraw/zinc/28/38/30/176283830.db2.gz DJCWZUUIAURVJQ-MNOVXSKESA-N 2 2 241.335 -0.927 20 0 BBADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1O ZINC000357612953 176283829 /nfs/dbraw/zinc/28/38/29/176283829.db2.gz DJCWZUUIAURVJQ-MNOVXSKESA-N 2 2 241.335 -0.927 20 0 BBADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1O ZINC000357612955 177244168 /nfs/dbraw/zinc/24/41/68/177244168.db2.gz DJCWZUUIAURVJQ-QWRGUYRKSA-N 2 2 241.335 -0.927 20 0 BBADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1O ZINC000357612955 177244167 /nfs/dbraw/zinc/24/41/67/177244167.db2.gz DJCWZUUIAURVJQ-QWRGUYRKSA-N 2 2 241.335 -0.927 20 0 BBADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1O ZINC000357612957 177243371 /nfs/dbraw/zinc/24/33/71/177243371.db2.gz DJCWZUUIAURVJQ-WDEREUQCSA-N 2 2 241.335 -0.927 20 0 BBADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1O ZINC000357612957 177243370 /nfs/dbraw/zinc/24/33/70/177243370.db2.gz DJCWZUUIAURVJQ-WDEREUQCSA-N 2 2 241.335 -0.927 20 0 BBADLP C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000357613635 176381310 /nfs/dbraw/zinc/38/13/10/176381310.db2.gz NRSFUZORXYGOOG-GHMZBOCLSA-N 2 2 241.335 -0.785 20 0 BBADLP C[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000357613635 176381307 /nfs/dbraw/zinc/38/13/07/176381307.db2.gz NRSFUZORXYGOOG-GHMZBOCLSA-N 2 2 241.335 -0.785 20 0 BBADLP C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000357613645 388552376 /nfs/dbraw/zinc/55/23/76/388552376.db2.gz NRSFUZORXYGOOG-MNOVXSKESA-N 2 2 241.335 -0.785 20 0 BBADLP C[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000357613645 388552374 /nfs/dbraw/zinc/55/23/74/388552374.db2.gz NRSFUZORXYGOOG-MNOVXSKESA-N 2 2 241.335 -0.785 20 0 BBADLP C[C@H]1C[C@H](O)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000357613646 177373156 /nfs/dbraw/zinc/37/31/56/177373156.db2.gz NRSFUZORXYGOOG-QWRGUYRKSA-N 2 2 241.335 -0.785 20 0 BBADLP C[C@H]1C[C@H](O)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000357613646 177373154 /nfs/dbraw/zinc/37/31/54/177373154.db2.gz NRSFUZORXYGOOG-QWRGUYRKSA-N 2 2 241.335 -0.785 20 0 BBADLP C[C@H]1C[C@@H](O)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000357613647 177337091 /nfs/dbraw/zinc/33/70/91/177337091.db2.gz NRSFUZORXYGOOG-WDEREUQCSA-N 2 2 241.335 -0.785 20 0 BBADLP C[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000357613647 177337090 /nfs/dbraw/zinc/33/70/90/177337090.db2.gz NRSFUZORXYGOOG-WDEREUQCSA-N 2 2 241.335 -0.785 20 0 BBADLP CN(C)C(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357644296 172363219 /nfs/dbraw/zinc/36/32/19/172363219.db2.gz HLCWURNZJPHBPO-UHFFFAOYSA-N 2 2 243.351 -0.537 20 0 BBADLP CN(C)C(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357644296 172363216 /nfs/dbraw/zinc/36/32/16/172363216.db2.gz HLCWURNZJPHBPO-UHFFFAOYSA-N 2 2 243.351 -0.537 20 0 BBADLP CC[C@H](C(N)=O)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357649586 171242772 /nfs/dbraw/zinc/24/27/72/171242772.db2.gz NJMYGRUEPYVTRV-LLVKDONJSA-N 2 2 243.351 -0.361 20 0 BBADLP CC[C@H](C(N)=O)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357649586 171242771 /nfs/dbraw/zinc/24/27/71/171242771.db2.gz NJMYGRUEPYVTRV-LLVKDONJSA-N 2 2 243.351 -0.361 20 0 BBADLP CC[C@@H](C(N)=O)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357649589 386818283 /nfs/dbraw/zinc/81/82/83/386818283.db2.gz NJMYGRUEPYVTRV-NSHDSACASA-N 2 2 243.351 -0.361 20 0 BBADLP CC[C@@H](C(N)=O)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357649589 386818280 /nfs/dbraw/zinc/81/82/80/386818280.db2.gz NJMYGRUEPYVTRV-NSHDSACASA-N 2 2 243.351 -0.361 20 0 BBADLP CCNC(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357721505 170054115 /nfs/dbraw/zinc/05/41/15/170054115.db2.gz MDFMEWNIGBMWNL-UHFFFAOYSA-N 2 2 243.351 -0.489 20 0 BBADLP CCNC(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357721505 170054114 /nfs/dbraw/zinc/05/41/14/170054114.db2.gz MDFMEWNIGBMWNL-UHFFFAOYSA-N 2 2 243.351 -0.489 20 0 BBADLP COC(=O)CC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357722720 386834461 /nfs/dbraw/zinc/83/44/61/386834461.db2.gz LYFJINKXPLASGC-UHFFFAOYSA-N 2 2 244.335 -0.062 20 0 BBADLP COC(=O)CC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357722720 386834458 /nfs/dbraw/zinc/83/44/58/386834458.db2.gz LYFJINKXPLASGC-UHFFFAOYSA-N 2 2 244.335 -0.062 20 0 BBADLP C[C@@H](C(=O)NCCCC[NH3+])[NH+]1CCOCC1 ZINC000357810979 386847919 /nfs/dbraw/zinc/84/79/19/386847919.db2.gz DEIURONEQLAXQL-JTQLQIEISA-N 2 2 229.324 -0.438 20 0 BBADLP C[C@H](C(=O)NCCCC[NH3+])[NH+]1CCOCC1 ZINC000357810981 386847168 /nfs/dbraw/zinc/84/71/68/386847168.db2.gz DEIURONEQLAXQL-SNVBAGLBSA-N 2 2 229.324 -0.438 20 0 BBADLP COc1cc[nH+]cc1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000357928336 175375284 /nfs/dbraw/zinc/37/52/84/175375284.db2.gz RMHYSJUUELYIGN-HTQZYQBOSA-N 2 2 237.259 -0.249 20 0 BBADLP COc1cc[nH+]cc1NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000357928337 175375706 /nfs/dbraw/zinc/37/57/06/175375706.db2.gz RMHYSJUUELYIGN-JGVFFNPUSA-N 2 2 237.259 -0.249 20 0 BBADLP COc1cc[nH+]cc1NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000357928338 175375094 /nfs/dbraw/zinc/37/50/94/175375094.db2.gz RMHYSJUUELYIGN-SFYZADRCSA-N 2 2 237.259 -0.249 20 0 BBADLP COc1cc[nH+]cc1NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000357928339 175374494 /nfs/dbraw/zinc/37/44/94/175374494.db2.gz RMHYSJUUELYIGN-YUMQZZPRSA-N 2 2 237.259 -0.249 20 0 BBADLP CCCCNC(=O)CC[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000358132602 386895943 /nfs/dbraw/zinc/89/59/43/386895943.db2.gz ZVRQQPQLJGIIOU-LLVKDONJSA-N 2 2 243.351 -0.048 20 0 BBADLP CCCCNC(=O)CC[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000358132602 386895939 /nfs/dbraw/zinc/89/59/39/386895939.db2.gz ZVRQQPQLJGIIOU-LLVKDONJSA-N 2 2 243.351 -0.048 20 0 BBADLP CCCCNC(=O)CC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000358132603 386897206 /nfs/dbraw/zinc/89/72/06/386897206.db2.gz ZVRQQPQLJGIIOU-NSHDSACASA-N 2 2 243.351 -0.048 20 0 BBADLP CCCCNC(=O)CC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000358132603 386897202 /nfs/dbraw/zinc/89/72/02/386897202.db2.gz ZVRQQPQLJGIIOU-NSHDSACASA-N 2 2 243.351 -0.048 20 0 BBADLP Cc1nn(C)cc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358132932 386896833 /nfs/dbraw/zinc/89/68/33/386896833.db2.gz HQILOMFZBQLJRW-GFCCVEGCSA-N 2 2 238.335 -0.115 20 0 BBADLP Cc1nn(C)cc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358132933 386897437 /nfs/dbraw/zinc/89/74/37/386897437.db2.gz HQILOMFZBQLJRW-LBPRGKRZSA-N 2 2 238.335 -0.115 20 0 BBADLP Cc1ncc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cn1 ZINC000358146170 180152709 /nfs/dbraw/zinc/15/27/09/180152709.db2.gz WPOHOYGBIQDAML-GFCCVEGCSA-N 2 2 236.319 -0.059 20 0 BBADLP Cc1ncc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cn1 ZINC000358146170 180152706 /nfs/dbraw/zinc/15/27/06/180152706.db2.gz WPOHOYGBIQDAML-GFCCVEGCSA-N 2 2 236.319 -0.059 20 0 BBADLP Cc1ncc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cn1 ZINC000358146185 180151770 /nfs/dbraw/zinc/15/17/70/180151770.db2.gz WPOHOYGBIQDAML-LBPRGKRZSA-N 2 2 236.319 -0.059 20 0 BBADLP Cc1ncc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cn1 ZINC000358146185 180151767 /nfs/dbraw/zinc/15/17/67/180151767.db2.gz WPOHOYGBIQDAML-LBPRGKRZSA-N 2 2 236.319 -0.059 20 0 BBADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H](C)CC(N)=O ZINC000358154458 386901747 /nfs/dbraw/zinc/90/17/47/386901747.db2.gz JPRKPCJGLHJWCX-GHMZBOCLSA-N 2 2 243.351 -0.049 20 0 BBADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)CC(N)=O ZINC000358154459 386900396 /nfs/dbraw/zinc/90/03/96/386900396.db2.gz JPRKPCJGLHJWCX-MNOVXSKESA-N 2 2 243.351 -0.049 20 0 BBADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)CC(N)=O ZINC000358154461 386901316 /nfs/dbraw/zinc/90/13/16/386901316.db2.gz JPRKPCJGLHJWCX-QWRGUYRKSA-N 2 2 243.351 -0.049 20 0 BBADLP C[C@H](CC(N)=O)[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000358154462 386900284 /nfs/dbraw/zinc/90/02/84/386900284.db2.gz JPRKPCJGLHJWCX-WDEREUQCSA-N 2 2 243.351 -0.049 20 0 BBADLP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358230149 176270036 /nfs/dbraw/zinc/27/00/36/176270036.db2.gz GVRYXGGISYXPNB-AGIUHOORSA-N 3 2 241.379 -0.017 20 0 BBADLP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358230149 176270034 /nfs/dbraw/zinc/27/00/34/176270034.db2.gz GVRYXGGISYXPNB-AGIUHOORSA-N 3 2 241.379 -0.017 20 0 BBADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@]1(O)CC[NH+](C)C1 ZINC000358230149 176270032 /nfs/dbraw/zinc/27/00/32/176270032.db2.gz GVRYXGGISYXPNB-AGIUHOORSA-N 3 2 241.379 -0.017 20 0 BBADLP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358230151 176269848 /nfs/dbraw/zinc/26/98/48/176269848.db2.gz GVRYXGGISYXPNB-FRRDWIJNSA-N 3 2 241.379 -0.017 20 0 BBADLP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358230151 176269847 /nfs/dbraw/zinc/26/98/47/176269847.db2.gz GVRYXGGISYXPNB-FRRDWIJNSA-N 3 2 241.379 -0.017 20 0 BBADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@]1(O)CC[NH+](C)C1 ZINC000358230151 176269846 /nfs/dbraw/zinc/26/98/46/176269846.db2.gz GVRYXGGISYXPNB-FRRDWIJNSA-N 3 2 241.379 -0.017 20 0 BBADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@]1(O)CC[NH+](C)C1 ZINC000358230151 176269845 /nfs/dbraw/zinc/26/98/45/176269845.db2.gz GVRYXGGISYXPNB-FRRDWIJNSA-N 3 2 241.379 -0.017 20 0 BBADLP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358230153 176270650 /nfs/dbraw/zinc/27/06/50/176270650.db2.gz GVRYXGGISYXPNB-JHJVBQTASA-N 3 2 241.379 -0.017 20 0 BBADLP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358230153 176270648 /nfs/dbraw/zinc/27/06/48/176270648.db2.gz GVRYXGGISYXPNB-JHJVBQTASA-N 3 2 241.379 -0.017 20 0 BBADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@]1(O)CC[NH+](C)C1 ZINC000358230153 176270647 /nfs/dbraw/zinc/27/06/47/176270647.db2.gz GVRYXGGISYXPNB-JHJVBQTASA-N 3 2 241.379 -0.017 20 0 BBADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@]1(O)CC[NH+](C)C1 ZINC000358230153 176270645 /nfs/dbraw/zinc/27/06/45/176270645.db2.gz GVRYXGGISYXPNB-JHJVBQTASA-N 3 2 241.379 -0.017 20 0 BBADLP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358230155 176270409 /nfs/dbraw/zinc/27/04/09/176270409.db2.gz GVRYXGGISYXPNB-UPJWGTAASA-N 3 2 241.379 -0.017 20 0 BBADLP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358230155 176270408 /nfs/dbraw/zinc/27/04/08/176270408.db2.gz GVRYXGGISYXPNB-UPJWGTAASA-N 3 2 241.379 -0.017 20 0 BBADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@]1(O)CC[NH+](C)C1 ZINC000358230155 176270406 /nfs/dbraw/zinc/27/04/06/176270406.db2.gz GVRYXGGISYXPNB-UPJWGTAASA-N 3 2 241.379 -0.017 20 0 BBADLP Cc1nc(N2CC[NH+](C)CC2)nc(N(C)C)[nH+]1 ZINC000359234435 132276199 /nfs/dbraw/zinc/27/61/99/132276199.db2.gz QNGRLWJIFSDGQG-UHFFFAOYSA-N 2 2 236.323 -0.002 20 0 BBADLP CCS(=O)(=O)NCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359296465 384717703 /nfs/dbraw/zinc/71/77/03/384717703.db2.gz CXBVDVWWYVCSIR-AOOOYVTPSA-N 2 2 247.364 -0.923 20 0 BBADLP CCS(=O)(=O)NCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359296465 384717690 /nfs/dbraw/zinc/71/76/90/384717690.db2.gz CXBVDVWWYVCSIR-AOOOYVTPSA-N 2 2 247.364 -0.923 20 0 BBADLP CCS(=O)(=O)NCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359296471 170618014 /nfs/dbraw/zinc/61/80/14/170618014.db2.gz CXBVDVWWYVCSIR-NXEZZACHSA-N 2 2 247.364 -0.923 20 0 BBADLP CCS(=O)(=O)NCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359296473 384719532 /nfs/dbraw/zinc/71/95/32/384719532.db2.gz CXBVDVWWYVCSIR-UWVGGRQHSA-N 2 2 247.364 -0.923 20 0 BBADLP CCOCCNC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359316402 487786387 /nfs/dbraw/zinc/78/63/87/487786387.db2.gz WRIIVOLFGAJHCS-GHMZBOCLSA-N 2 2 241.335 -0.710 20 0 BBADLP CCOCCNC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359316406 487786081 /nfs/dbraw/zinc/78/60/81/487786081.db2.gz WRIIVOLFGAJHCS-PHIMTYICSA-N 2 2 241.335 -0.710 20 0 BBADLP CCOCCNC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359316406 487786078 /nfs/dbraw/zinc/78/60/78/487786078.db2.gz WRIIVOLFGAJHCS-PHIMTYICSA-N 2 2 241.335 -0.710 20 0 BBADLP CCOCCNC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359316410 385210784 /nfs/dbraw/zinc/21/07/84/385210784.db2.gz WRIIVOLFGAJHCS-QWRGUYRKSA-N 2 2 241.335 -0.710 20 0 BBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C[NH+](C)C ZINC000359358247 387090775 /nfs/dbraw/zinc/09/07/75/387090775.db2.gz AJOVXGKXAVABDU-LLVKDONJSA-N 2 2 242.367 -0.700 20 0 BBADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C[NH+](C)C ZINC000359358250 387090433 /nfs/dbraw/zinc/09/04/33/387090433.db2.gz AJOVXGKXAVABDU-NSHDSACASA-N 2 2 242.367 -0.700 20 0 BBADLP C[NH+](C)CC(=O)N1CCn2c[nH+]cc2C1 ZINC000359488285 387111099 /nfs/dbraw/zinc/11/10/99/387111099.db2.gz YCPVUCURNJUWAJ-UHFFFAOYSA-N 2 2 208.265 -0.213 20 0 BBADLP CC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)C(N)=O ZINC000359952525 387199180 /nfs/dbraw/zinc/19/91/80/387199180.db2.gz NGIZYYPVNPTPPM-LLVKDONJSA-N 2 2 243.351 -0.049 20 0 BBADLP CC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)C(N)=O ZINC000359952526 387199761 /nfs/dbraw/zinc/19/97/61/387199761.db2.gz NGIZYYPVNPTPPM-NSHDSACASA-N 2 2 243.351 -0.049 20 0 BBADLP CNS(=O)(=O)CCC[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000359998688 173402277 /nfs/dbraw/zinc/40/22/77/173402277.db2.gz FMKMRPYVVCZSMY-JTQLQIEISA-N 2 2 249.380 -0.405 20 0 BBADLP CNS(=O)(=O)CCC[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000359998688 173402276 /nfs/dbraw/zinc/40/22/76/173402276.db2.gz FMKMRPYVVCZSMY-JTQLQIEISA-N 2 2 249.380 -0.405 20 0 BBADLP CNS(=O)(=O)CCC[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000359998693 517972981 /nfs/dbraw/zinc/97/29/81/517972981.db2.gz FMKMRPYVVCZSMY-SNVBAGLBSA-N 2 2 249.380 -0.405 20 0 BBADLP CNS(=O)(=O)CCC[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000359998693 517972969 /nfs/dbraw/zinc/97/29/69/517972969.db2.gz FMKMRPYVVCZSMY-SNVBAGLBSA-N 2 2 249.380 -0.405 20 0 BBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CSC[NH2+]1 ZINC000360184497 180118786 /nfs/dbraw/zinc/11/87/86/180118786.db2.gz RYTPPZRVZLWKDH-MRVPVSSYSA-N 2 2 226.305 -0.003 20 0 BBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000360184498 180120649 /nfs/dbraw/zinc/12/06/49/180120649.db2.gz RYTPPZRVZLWKDH-QMMMGPOBSA-N 2 2 226.305 -0.003 20 0 BBADLP CS(=O)(=O)NCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360550664 387309465 /nfs/dbraw/zinc/30/94/65/387309465.db2.gz JEXHRBKUHJVQEO-JTQLQIEISA-N 2 2 247.364 -0.779 20 0 BBADLP CS(=O)(=O)NCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360550664 387309460 /nfs/dbraw/zinc/30/94/60/387309460.db2.gz JEXHRBKUHJVQEO-JTQLQIEISA-N 2 2 247.364 -0.779 20 0 BBADLP CS(=O)(=O)NCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360550665 387310024 /nfs/dbraw/zinc/31/00/24/387310024.db2.gz JEXHRBKUHJVQEO-SNVBAGLBSA-N 2 2 247.364 -0.779 20 0 BBADLP CS(=O)(=O)NCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360550665 387310019 /nfs/dbraw/zinc/31/00/19/387310019.db2.gz JEXHRBKUHJVQEO-SNVBAGLBSA-N 2 2 247.364 -0.779 20 0 BBADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC(N)=O ZINC000361021481 174306828 /nfs/dbraw/zinc/30/68/28/174306828.db2.gz AIVIZCVVIVCCPO-GHMZBOCLSA-N 2 2 243.351 -0.049 20 0 BBADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC(N)=O ZINC000361021481 174306826 /nfs/dbraw/zinc/30/68/26/174306826.db2.gz AIVIZCVVIVCCPO-GHMZBOCLSA-N 2 2 243.351 -0.049 20 0 BBADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(N)=O ZINC000361021488 174308237 /nfs/dbraw/zinc/30/82/37/174308237.db2.gz AIVIZCVVIVCCPO-MNOVXSKESA-N 2 2 243.351 -0.049 20 0 BBADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(N)=O ZINC000361021488 174308235 /nfs/dbraw/zinc/30/82/35/174308235.db2.gz AIVIZCVVIVCCPO-MNOVXSKESA-N 2 2 243.351 -0.049 20 0 BBADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(N)=O ZINC000361021489 174308319 /nfs/dbraw/zinc/30/83/19/174308319.db2.gz AIVIZCVVIVCCPO-QWRGUYRKSA-N 2 2 243.351 -0.049 20 0 BBADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(N)=O ZINC000361021489 174308318 /nfs/dbraw/zinc/30/83/18/174308318.db2.gz AIVIZCVVIVCCPO-QWRGUYRKSA-N 2 2 243.351 -0.049 20 0 BBADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC(N)=O ZINC000361021491 174307371 /nfs/dbraw/zinc/30/73/71/174307371.db2.gz AIVIZCVVIVCCPO-WDEREUQCSA-N 2 2 243.351 -0.049 20 0 BBADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC(N)=O ZINC000361021491 174307370 /nfs/dbraw/zinc/30/73/70/174307370.db2.gz AIVIZCVVIVCCPO-WDEREUQCSA-N 2 2 243.351 -0.049 20 0 BBADLP C[N@@H+]([C@@H]1COC[C@@H]1O)C1CC[NH+](CCO)CC1 ZINC000361287338 387431630 /nfs/dbraw/zinc/43/16/30/387431630.db2.gz JHCVDZCWFKFSAS-NEPJUHHUSA-N 2 2 244.335 -0.865 20 0 BBADLP C[N@H+]([C@@H]1COC[C@@H]1O)C1CC[NH+](CCO)CC1 ZINC000361287338 387431626 /nfs/dbraw/zinc/43/16/26/387431626.db2.gz JHCVDZCWFKFSAS-NEPJUHHUSA-N 2 2 244.335 -0.865 20 0 BBADLP C[N@@H+]([C@H]1COC[C@H]1O)C1CC[NH+](CCO)CC1 ZINC000361287343 387431956 /nfs/dbraw/zinc/43/19/56/387431956.db2.gz JHCVDZCWFKFSAS-NWDGAFQWSA-N 2 2 244.335 -0.865 20 0 BBADLP C[N@H+]([C@H]1COC[C@H]1O)C1CC[NH+](CCO)CC1 ZINC000361287343 387431953 /nfs/dbraw/zinc/43/19/53/387431953.db2.gz JHCVDZCWFKFSAS-NWDGAFQWSA-N 2 2 244.335 -0.865 20 0 BBADLP C[N@@H+]([C@H]1COC[C@@H]1O)C1CC[NH+](CCO)CC1 ZINC000361287344 387432675 /nfs/dbraw/zinc/43/26/75/387432675.db2.gz JHCVDZCWFKFSAS-RYUDHWBXSA-N 2 2 244.335 -0.865 20 0 BBADLP C[N@H+]([C@H]1COC[C@@H]1O)C1CC[NH+](CCO)CC1 ZINC000361287344 387432671 /nfs/dbraw/zinc/43/26/71/387432671.db2.gz JHCVDZCWFKFSAS-RYUDHWBXSA-N 2 2 244.335 -0.865 20 0 BBADLP C[N@@H+]([C@@H]1COC[C@H]1O)C1CC[NH+](CCO)CC1 ZINC000361287346 387432449 /nfs/dbraw/zinc/43/24/49/387432449.db2.gz JHCVDZCWFKFSAS-VXGBXAGGSA-N 2 2 244.335 -0.865 20 0 BBADLP C[N@H+]([C@@H]1COC[C@H]1O)C1CC[NH+](CCO)CC1 ZINC000361287346 387432443 /nfs/dbraw/zinc/43/24/43/387432443.db2.gz JHCVDZCWFKFSAS-VXGBXAGGSA-N 2 2 244.335 -0.865 20 0 BBADLP COC(=O)CCC[NH+]1CCC([NH2+]CCO)CC1 ZINC000361438536 387461736 /nfs/dbraw/zinc/46/17/36/387461736.db2.gz AJPUYFZQGOKZNJ-UHFFFAOYSA-N 2 2 244.335 -0.014 20 0 BBADLP C[C@H](O)C[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000361512141 384811324 /nfs/dbraw/zinc/81/13/24/384811324.db2.gz GAZVCVMNPFPWEB-GXSJLCMTSA-N 2 2 216.325 -0.246 20 0 BBADLP C[C@H](O)C[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000361512141 384811321 /nfs/dbraw/zinc/81/13/21/384811321.db2.gz GAZVCVMNPFPWEB-GXSJLCMTSA-N 2 2 216.325 -0.246 20 0 BBADLP C[C@H](O)C[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000361512141 384811313 /nfs/dbraw/zinc/81/13/13/384811313.db2.gz GAZVCVMNPFPWEB-GXSJLCMTSA-N 2 2 216.325 -0.246 20 0 BBADLP C[C@H](O)C[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000361512141 384811307 /nfs/dbraw/zinc/81/13/07/384811307.db2.gz GAZVCVMNPFPWEB-GXSJLCMTSA-N 2 2 216.325 -0.246 20 0 BBADLP C[C@@H](O)C[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000361512142 384810241 /nfs/dbraw/zinc/81/02/41/384810241.db2.gz GAZVCVMNPFPWEB-KOLCDFICSA-N 2 2 216.325 -0.246 20 0 BBADLP C[C@@H](O)C[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000361512142 384810236 /nfs/dbraw/zinc/81/02/36/384810236.db2.gz GAZVCVMNPFPWEB-KOLCDFICSA-N 2 2 216.325 -0.246 20 0 BBADLP C[C@@H](O)C[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000361512142 384810229 /nfs/dbraw/zinc/81/02/29/384810229.db2.gz GAZVCVMNPFPWEB-KOLCDFICSA-N 2 2 216.325 -0.246 20 0 BBADLP C[C@@H](O)C[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000361512142 384810225 /nfs/dbraw/zinc/81/02/25/384810225.db2.gz GAZVCVMNPFPWEB-KOLCDFICSA-N 2 2 216.325 -0.246 20 0 BBADLP C[C@@H](O)C[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000361512143 384811528 /nfs/dbraw/zinc/81/15/28/384811528.db2.gz GAZVCVMNPFPWEB-MWLCHTKSSA-N 2 2 216.325 -0.246 20 0 BBADLP C[C@@H](O)C[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000361512143 384811521 /nfs/dbraw/zinc/81/15/21/384811521.db2.gz GAZVCVMNPFPWEB-MWLCHTKSSA-N 2 2 216.325 -0.246 20 0 BBADLP C[C@@H](O)C[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000361512143 384811517 /nfs/dbraw/zinc/81/15/17/384811517.db2.gz GAZVCVMNPFPWEB-MWLCHTKSSA-N 2 2 216.325 -0.246 20 0 BBADLP C[C@@H](O)C[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000361512143 384811508 /nfs/dbraw/zinc/81/15/08/384811508.db2.gz GAZVCVMNPFPWEB-MWLCHTKSSA-N 2 2 216.325 -0.246 20 0 BBADLP C[C@H](O)C[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000361512144 384809586 /nfs/dbraw/zinc/80/95/86/384809586.db2.gz GAZVCVMNPFPWEB-ONGXEEELSA-N 2 2 216.325 -0.246 20 0 BBADLP C[C@H](O)C[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000361512144 384809579 /nfs/dbraw/zinc/80/95/79/384809579.db2.gz GAZVCVMNPFPWEB-ONGXEEELSA-N 2 2 216.325 -0.246 20 0 BBADLP C[C@H](O)C[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000361512144 384809574 /nfs/dbraw/zinc/80/95/74/384809574.db2.gz GAZVCVMNPFPWEB-ONGXEEELSA-N 2 2 216.325 -0.246 20 0 BBADLP C[C@H](O)C[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000361512144 384809561 /nfs/dbraw/zinc/80/95/61/384809561.db2.gz GAZVCVMNPFPWEB-ONGXEEELSA-N 2 2 216.325 -0.246 20 0 BBADLP [NH3+]CC(=O)NCC1([NH+]2CCOCC2)CCCC1 ZINC000361717507 181352401 /nfs/dbraw/zinc/35/24/01/181352401.db2.gz FIIAFAHZMPVGKL-UHFFFAOYSA-N 2 2 241.335 -0.294 20 0 BBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCOCC2)CC1 ZINC000361996375 173067801 /nfs/dbraw/zinc/06/78/01/173067801.db2.gz KIZQHBDWNXTJIP-UHFFFAOYSA-N 2 2 241.335 -0.517 20 0 BBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCOCC2)CC1 ZINC000361996375 173067798 /nfs/dbraw/zinc/06/77/98/173067798.db2.gz KIZQHBDWNXTJIP-UHFFFAOYSA-N 2 2 241.335 -0.517 20 0 BBADLP CN(C)c1[nH+]cc(C[N@@H+](C)CCO)n1C ZINC000362285905 387593319 /nfs/dbraw/zinc/59/33/19/387593319.db2.gz PBFQLRXHILXUSQ-UHFFFAOYSA-N 2 2 212.297 -0.090 20 0 BBADLP CN(C)c1[nH+]cc(C[N@H+](C)CCO)n1C ZINC000362285905 387593317 /nfs/dbraw/zinc/59/33/17/387593317.db2.gz PBFQLRXHILXUSQ-UHFFFAOYSA-N 2 2 212.297 -0.090 20 0 BBADLP CN1CC[NH+](CCCNC(=O)C[NH+](C)C)CC1 ZINC000362347599 387598229 /nfs/dbraw/zinc/59/82/29/387598229.db2.gz XPRSBCHYCBCKNA-UHFFFAOYSA-N 2 2 242.367 -0.698 20 0 BBADLP C[NH+](C)CC(=O)NCCCN1CC[NH+](C)CC1 ZINC000362347599 387598228 /nfs/dbraw/zinc/59/82/28/387598228.db2.gz XPRSBCHYCBCKNA-UHFFFAOYSA-N 2 2 242.367 -0.698 20 0 BBADLP COCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362837373 174307357 /nfs/dbraw/zinc/30/73/57/174307357.db2.gz MDDWUABJHUSLJN-LLVKDONJSA-N 2 2 241.335 -0.471 20 0 BBADLP COCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362837373 174307355 /nfs/dbraw/zinc/30/73/55/174307355.db2.gz MDDWUABJHUSLJN-LLVKDONJSA-N 2 2 241.335 -0.471 20 0 BBADLP COCC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362837374 174308270 /nfs/dbraw/zinc/30/82/70/174308270.db2.gz MDDWUABJHUSLJN-NSHDSACASA-N 2 2 241.335 -0.471 20 0 BBADLP COCC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362837374 174308269 /nfs/dbraw/zinc/30/82/69/174308269.db2.gz MDDWUABJHUSLJN-NSHDSACASA-N 2 2 241.335 -0.471 20 0 BBADLP CN(C)c1[nH+]cc(C[NH2+]CCn2cncn2)n1C ZINC000362977641 388563321 /nfs/dbraw/zinc/56/33/21/388563321.db2.gz SJUYUEVYDFZSOI-UHFFFAOYSA-N 2 2 249.322 -0.133 20 0 BBADLP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000363177823 387696383 /nfs/dbraw/zinc/69/63/83/387696383.db2.gz YVGDJVVMYCITFM-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000363177823 387696373 /nfs/dbraw/zinc/69/63/73/387696373.db2.gz YVGDJVVMYCITFM-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP CC[NH+](CC)CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000363177824 387695726 /nfs/dbraw/zinc/69/57/26/387695726.db2.gz YVGDJVVMYCITFM-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP CC[NH+](CC)CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000363177824 387695718 /nfs/dbraw/zinc/69/57/18/387695718.db2.gz YVGDJVVMYCITFM-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP CC[NH2+]CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000364023039 170114883 /nfs/dbraw/zinc/11/48/83/170114883.db2.gz NWWFELCPGYITLN-SSDOTTSWSA-N 2 2 221.251 -0.291 20 0 BBADLP CC[NH2+]CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000364023040 170114977 /nfs/dbraw/zinc/11/49/77/170114977.db2.gz NWWFELCPGYITLN-ZETCQYMHSA-N 2 2 221.251 -0.291 20 0 BBADLP O=C(NCC[NH2+]C1CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000364023041 182188118 /nfs/dbraw/zinc/18/81/18/182188118.db2.gz NXHMMRJHUSNEKZ-MRVPVSSYSA-N 2 2 233.262 -0.148 20 0 BBADLP O=C(NCC[NH2+]C1CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000364023042 182189202 /nfs/dbraw/zinc/18/92/02/182189202.db2.gz NXHMMRJHUSNEKZ-QMMMGPOBSA-N 2 2 233.262 -0.148 20 0 BBADLP C[NH+](C)C1CN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC000364741792 385508832 /nfs/dbraw/zinc/50/88/32/385508832.db2.gz VZQRRBKCZMKADI-UHFFFAOYSA-N 2 2 249.318 -0.559 20 0 BBADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000364942877 170002235 /nfs/dbraw/zinc/00/22/35/170002235.db2.gz JAGIBRWSIBTVSX-JTQLQIEISA-N 2 2 227.308 -0.861 20 0 BBADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000364942877 170002234 /nfs/dbraw/zinc/00/22/34/170002234.db2.gz JAGIBRWSIBTVSX-JTQLQIEISA-N 2 2 227.308 -0.861 20 0 BBADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000364942878 170000029 /nfs/dbraw/zinc/00/00/29/170000029.db2.gz JAGIBRWSIBTVSX-SNVBAGLBSA-N 2 2 227.308 -0.861 20 0 BBADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000364942878 170000028 /nfs/dbraw/zinc/00/00/28/170000028.db2.gz JAGIBRWSIBTVSX-SNVBAGLBSA-N 2 2 227.308 -0.861 20 0 BBADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)CC1 ZINC000365403474 386078395 /nfs/dbraw/zinc/07/83/95/386078395.db2.gz MYQWJFYULUCYJZ-SECBINFHSA-N 2 2 242.323 -0.403 20 0 BBADLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)CC1 ZINC000365403474 386078391 /nfs/dbraw/zinc/07/83/91/386078391.db2.gz MYQWJFYULUCYJZ-SECBINFHSA-N 2 2 242.323 -0.403 20 0 BBADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)CC1 ZINC000365403475 386078463 /nfs/dbraw/zinc/07/84/63/386078463.db2.gz MYQWJFYULUCYJZ-VIFPVBQESA-N 2 2 242.323 -0.403 20 0 BBADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)NC(N)=O)CC1 ZINC000365403475 386078458 /nfs/dbraw/zinc/07/84/58/386078458.db2.gz MYQWJFYULUCYJZ-VIFPVBQESA-N 2 2 242.323 -0.403 20 0 BBADLP CCC[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+][C@@H](C(=O)OC)C1 ZINC000365758603 169390636 /nfs/dbraw/zinc/39/06/36/169390636.db2.gz OEXOKHLYDUEBLG-DJLDLDEBSA-N 2 2 243.307 -0.867 20 0 BBADLP CCC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+][C@@H](C(=O)OC)C1 ZINC000365758604 385741202 /nfs/dbraw/zinc/74/12/02/385741202.db2.gz OEXOKHLYDUEBLG-XHNCKOQMSA-N 2 2 243.307 -0.867 20 0 BBADLP CC[NH+]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000366330071 350746965 /nfs/dbraw/zinc/74/69/65/350746965.db2.gz ZYBQXBQCJMQHDQ-LLVKDONJSA-N 2 2 229.299 -0.148 20 0 BBADLP CC[NH+]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000366330075 350746854 /nfs/dbraw/zinc/74/68/54/350746854.db2.gz ZYBQXBQCJMQHDQ-NSHDSACASA-N 2 2 229.299 -0.148 20 0 BBADLP Cn1cc[nH+]c1CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000366335980 135069755 /nfs/dbraw/zinc/06/97/55/135069755.db2.gz XOLGJTNVGRWSEK-JTQLQIEISA-N 2 2 226.255 -0.262 20 0 BBADLP Cn1cc[nH+]c1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000366335981 135069714 /nfs/dbraw/zinc/06/97/14/135069714.db2.gz XOLGJTNVGRWSEK-SNVBAGLBSA-N 2 2 226.255 -0.262 20 0 BBADLP CC(C)[NH2+]CC[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000366342421 167107168 /nfs/dbraw/zinc/10/71/68/167107168.db2.gz WYBFOXNPYKIILN-UWVGGRQHSA-N 2 2 202.298 -0.588 20 0 BBADLP CC(C)[NH2+]CC[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000366342421 167107167 /nfs/dbraw/zinc/10/71/67/167107167.db2.gz WYBFOXNPYKIILN-UWVGGRQHSA-N 2 2 202.298 -0.588 20 0 BBADLP CC(C)[NH2+]CC[N@H+]1C[C@H](O)C[C@H]1CO ZINC000366342422 167106136 /nfs/dbraw/zinc/10/61/36/167106136.db2.gz WYBFOXNPYKIILN-VHSXEESVSA-N 2 2 202.298 -0.588 20 0 BBADLP CC(C)[NH2+]CC[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000366342422 167106133 /nfs/dbraw/zinc/10/61/33/167106133.db2.gz WYBFOXNPYKIILN-VHSXEESVSA-N 2 2 202.298 -0.588 20 0 BBADLP CNC(=[NH2+])NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366465751 173209493 /nfs/dbraw/zinc/20/94/93/173209493.db2.gz QDRZYRXPPIYSML-SECBINFHSA-N 2 2 212.297 -0.407 20 0 BBADLP CNC(=[NH2+])NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366465751 173209491 /nfs/dbraw/zinc/20/94/91/173209491.db2.gz QDRZYRXPPIYSML-SECBINFHSA-N 2 2 212.297 -0.407 20 0 BBADLP CNC(=[NH2+])NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366465752 173209923 /nfs/dbraw/zinc/20/99/23/173209923.db2.gz QDRZYRXPPIYSML-VIFPVBQESA-N 2 2 212.297 -0.407 20 0 BBADLP CNC(=[NH2+])NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366465752 173209922 /nfs/dbraw/zinc/20/99/22/173209922.db2.gz QDRZYRXPPIYSML-VIFPVBQESA-N 2 2 212.297 -0.407 20 0 BBADLP C[NH+](C)CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366592718 385660070 /nfs/dbraw/zinc/66/00/70/385660070.db2.gz VVEQDJPOMFLQSZ-LLVKDONJSA-N 2 2 241.335 -0.519 20 0 BBADLP C[NH+](C)CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366592719 385661639 /nfs/dbraw/zinc/66/16/39/385661639.db2.gz VVEQDJPOMFLQSZ-NSHDSACASA-N 2 2 241.335 -0.519 20 0 BBADLP C[NH+](C)C1CN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000367696679 387744068 /nfs/dbraw/zinc/74/40/68/387744068.db2.gz IUABTGJFPXCSSJ-MRVPVSSYSA-N 2 2 233.262 -0.244 20 0 BBADLP C[NH+](C)C1CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000367696680 387744931 /nfs/dbraw/zinc/74/49/31/387744931.db2.gz IUABTGJFPXCSSJ-QMMMGPOBSA-N 2 2 233.262 -0.244 20 0 BBADLP O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)C1C[NH2+]C1 ZINC000367819831 182227456 /nfs/dbraw/zinc/22/74/56/182227456.db2.gz GHUUEWRBJOHASB-LLVKDONJSA-N 2 2 239.319 -0.815 20 0 BBADLP O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)C1C[NH2+]C1 ZINC000367819831 182227454 /nfs/dbraw/zinc/22/74/54/182227454.db2.gz GHUUEWRBJOHASB-LLVKDONJSA-N 2 2 239.319 -0.815 20 0 BBADLP O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)C1C[NH2+]C1 ZINC000367819832 182245839 /nfs/dbraw/zinc/24/58/39/182245839.db2.gz GHUUEWRBJOHASB-NSHDSACASA-N 2 2 239.319 -0.815 20 0 BBADLP O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)C1C[NH2+]C1 ZINC000367819832 182245837 /nfs/dbraw/zinc/24/58/37/182245837.db2.gz GHUUEWRBJOHASB-NSHDSACASA-N 2 2 239.319 -0.815 20 0 BBADLP O=C(C1C[NH2+]C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000367832414 387757878 /nfs/dbraw/zinc/75/78/78/387757878.db2.gz PTPYLLOUQSMAMG-LLVKDONJSA-N 2 2 239.319 -0.861 20 0 BBADLP O=C(C1C[NH2+]C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000367832415 387757188 /nfs/dbraw/zinc/75/71/88/387757188.db2.gz PTPYLLOUQSMAMG-NSHDSACASA-N 2 2 239.319 -0.861 20 0 BBADLP O=C(N[C@@H]1CCc2[nH+]ccn2C1)C1C[NH2+]C1 ZINC000367833755 182312839 /nfs/dbraw/zinc/31/28/39/182312839.db2.gz UPKCBYQVPMVEPG-SECBINFHSA-N 2 2 220.276 -0.467 20 0 BBADLP O=C(N[C@H]1CCc2[nH+]ccn2C1)C1C[NH2+]C1 ZINC000367833757 182341965 /nfs/dbraw/zinc/34/19/65/182341965.db2.gz UPKCBYQVPMVEPG-VIFPVBQESA-N 2 2 220.276 -0.467 20 0 BBADLP C[N@H+]1CCO[C@@H]2CN(C(=O)CC(C)(C)[NH3+])C[C@@H]21 ZINC000368113083 173105066 /nfs/dbraw/zinc/10/50/66/173105066.db2.gz HZEADFWJTXLNAX-VHSXEESVSA-N 2 2 241.335 -0.345 20 0 BBADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)CC(C)(C)[NH3+])C[C@@H]21 ZINC000368113083 173105063 /nfs/dbraw/zinc/10/50/63/173105063.db2.gz HZEADFWJTXLNAX-VHSXEESVSA-N 2 2 241.335 -0.345 20 0 BBADLP CCNC(=[NH2+])NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368355891 170041997 /nfs/dbraw/zinc/04/19/97/170041997.db2.gz SHTWODUINYDTIS-JTQLQIEISA-N 2 2 226.324 -0.017 20 0 BBADLP CCNC(=[NH2+])NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368355891 170041996 /nfs/dbraw/zinc/04/19/96/170041996.db2.gz SHTWODUINYDTIS-JTQLQIEISA-N 2 2 226.324 -0.017 20 0 BBADLP CCNC(=[NH2+])NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000368355892 170041660 /nfs/dbraw/zinc/04/16/60/170041660.db2.gz SHTWODUINYDTIS-SNVBAGLBSA-N 2 2 226.324 -0.017 20 0 BBADLP CCNC(=[NH2+])NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000368355892 170041658 /nfs/dbraw/zinc/04/16/58/170041658.db2.gz SHTWODUINYDTIS-SNVBAGLBSA-N 2 2 226.324 -0.017 20 0 BBADLP CN(C(=O)[C@H]1CC(F)(F)C[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000368484683 172331720 /nfs/dbraw/zinc/33/17/20/172331720.db2.gz BOWJPPYNUKEPDJ-HTQZYQBOSA-N 2 2 233.262 -0.196 20 0 BBADLP CN(C(=O)[C@H]1CC(F)(F)C[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000368484684 172331917 /nfs/dbraw/zinc/33/19/17/172331917.db2.gz BOWJPPYNUKEPDJ-JGVFFNPUSA-N 2 2 233.262 -0.196 20 0 BBADLP CN(C(=O)[C@@H]1CC(F)(F)C[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000368484685 172325085 /nfs/dbraw/zinc/32/50/85/172325085.db2.gz BOWJPPYNUKEPDJ-SFYZADRCSA-N 2 2 233.262 -0.196 20 0 BBADLP CN(C(=O)[C@@H]1CC(F)(F)C[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000368484686 172325567 /nfs/dbraw/zinc/32/55/67/172325567.db2.gz BOWJPPYNUKEPDJ-YUMQZZPRSA-N 2 2 233.262 -0.196 20 0 BBADLP [NH3+]C[C@@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)C1CC1 ZINC000368486487 386979071 /nfs/dbraw/zinc/97/90/71/386979071.db2.gz NMKBYRXXMAWQGK-HTQZYQBOSA-N 2 2 233.262 -0.163 20 0 BBADLP [NH3+]C[C@@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C1CC1 ZINC000368486488 386977272 /nfs/dbraw/zinc/97/72/72/386977272.db2.gz NMKBYRXXMAWQGK-JGVFFNPUSA-N 2 2 233.262 -0.163 20 0 BBADLP [NH3+]C[C@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)C1CC1 ZINC000368486489 386976575 /nfs/dbraw/zinc/97/65/75/386976575.db2.gz NMKBYRXXMAWQGK-SFYZADRCSA-N 2 2 233.262 -0.163 20 0 BBADLP [NH3+]C[C@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C1CC1 ZINC000368486490 386976921 /nfs/dbraw/zinc/97/69/21/386976921.db2.gz NMKBYRXXMAWQGK-YUMQZZPRSA-N 2 2 233.262 -0.163 20 0 BBADLP [NH3+][C@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)C1CC1 ZINC000368492599 385535916 /nfs/dbraw/zinc/53/59/16/385535916.db2.gz POSZZRMMOSXBJL-HTQZYQBOSA-N 2 2 233.262 -0.163 20 0 BBADLP [NH3+][C@@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)C1CC1 ZINC000368492600 385536533 /nfs/dbraw/zinc/53/65/33/385536533.db2.gz POSZZRMMOSXBJL-JGVFFNPUSA-N 2 2 233.262 -0.163 20 0 BBADLP [NH3+][C@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C1CC1 ZINC000368492601 385536938 /nfs/dbraw/zinc/53/69/38/385536938.db2.gz POSZZRMMOSXBJL-SFYZADRCSA-N 2 2 233.262 -0.163 20 0 BBADLP [NH3+][C@@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C1CC1 ZINC000368492602 385536564 /nfs/dbraw/zinc/53/65/64/385536564.db2.gz POSZZRMMOSXBJL-YUMQZZPRSA-N 2 2 233.262 -0.163 20 0 BBADLP C[NH2+]CCCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368649133 173348327 /nfs/dbraw/zinc/34/83/27/173348327.db2.gz AERQQKVDZXDHFR-SSDOTTSWSA-N 2 2 221.251 -0.291 20 0 BBADLP C[NH2+]CCCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368649134 173347936 /nfs/dbraw/zinc/34/79/36/173347936.db2.gz AERQQKVDZXDHFR-ZETCQYMHSA-N 2 2 221.251 -0.291 20 0 BBADLP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[NH2+]CC1 ZINC000368649948 384964226 /nfs/dbraw/zinc/96/42/26/384964226.db2.gz LHFPAJAADJKQIR-SSDOTTSWSA-N 2 2 219.235 -0.585 20 0 BBADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[NH2+]CC1 ZINC000368649949 384964874 /nfs/dbraw/zinc/96/48/74/384964874.db2.gz LHFPAJAADJKQIR-ZETCQYMHSA-N 2 2 219.235 -0.585 20 0 BBADLP [NH3+]CCCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368651596 181381749 /nfs/dbraw/zinc/38/17/49/181381749.db2.gz VXSNVTBTTNGFFE-LURJTMIESA-N 2 2 207.224 -0.551 20 0 BBADLP [NH3+]CCCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368651597 181382427 /nfs/dbraw/zinc/38/24/27/181382427.db2.gz VXSNVTBTTNGFFE-ZCFIWIBFSA-N 2 2 207.224 -0.551 20 0 BBADLP c1cn(CC[N@H+]2CCN3CCOC[C@H]3C2)c[nH+]1 ZINC000368819163 387013240 /nfs/dbraw/zinc/01/32/40/387013240.db2.gz RVTOKJSYROHGJT-GFCCVEGCSA-N 2 2 236.319 -0.101 20 0 BBADLP c1cn(CC[N@@H+]2CCN3CCOC[C@H]3C2)c[nH+]1 ZINC000368819163 387013232 /nfs/dbraw/zinc/01/32/32/387013232.db2.gz RVTOKJSYROHGJT-GFCCVEGCSA-N 2 2 236.319 -0.101 20 0 BBADLP c1cn(CC[N@H+]2CCN3CCOC[C@@H]3C2)c[nH+]1 ZINC000368819174 387013039 /nfs/dbraw/zinc/01/30/39/387013039.db2.gz RVTOKJSYROHGJT-LBPRGKRZSA-N 2 2 236.319 -0.101 20 0 BBADLP c1cn(CC[N@@H+]2CCN3CCOC[C@@H]3C2)c[nH+]1 ZINC000368819174 387013032 /nfs/dbraw/zinc/01/30/32/387013032.db2.gz RVTOKJSYROHGJT-LBPRGKRZSA-N 2 2 236.319 -0.101 20 0 BBADLP Cn1c[nH+]cc1C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000368827008 387016166 /nfs/dbraw/zinc/01/61/66/387016166.db2.gz UKZVWAQYAVEPNT-GFCCVEGCSA-N 2 2 236.319 -0.064 20 0 BBADLP Cn1c[nH+]cc1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000368827008 387016161 /nfs/dbraw/zinc/01/61/61/387016161.db2.gz UKZVWAQYAVEPNT-GFCCVEGCSA-N 2 2 236.319 -0.064 20 0 BBADLP Cn1c[nH+]cc1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000368827009 387014263 /nfs/dbraw/zinc/01/42/63/387014263.db2.gz UKZVWAQYAVEPNT-LBPRGKRZSA-N 2 2 236.319 -0.064 20 0 BBADLP Cn1c[nH+]cc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000368827009 387014255 /nfs/dbraw/zinc/01/42/55/387014255.db2.gz UKZVWAQYAVEPNT-LBPRGKRZSA-N 2 2 236.319 -0.064 20 0 BBADLP CCN(C)C(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000369494644 387049950 /nfs/dbraw/zinc/04/99/50/387049950.db2.gz SDCJRZTWZGJOOW-PHIMTYICSA-N 2 2 225.336 -0.042 20 0 BBADLP CCN(C)C(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000369494644 387049947 /nfs/dbraw/zinc/04/99/47/387049947.db2.gz SDCJRZTWZGJOOW-PHIMTYICSA-N 2 2 225.336 -0.042 20 0 BBADLP CCN(C)C(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000369494644 387049944 /nfs/dbraw/zinc/04/99/44/387049944.db2.gz SDCJRZTWZGJOOW-PHIMTYICSA-N 2 2 225.336 -0.042 20 0 BBADLP CCN(C)C(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000369494644 387049940 /nfs/dbraw/zinc/04/99/40/387049940.db2.gz SDCJRZTWZGJOOW-PHIMTYICSA-N 2 2 225.336 -0.042 20 0 BBADLP NC(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369601210 181233621 /nfs/dbraw/zinc/23/36/21/181233621.db2.gz YLJHXRCTPGKRII-GMTAPVOTSA-N 2 2 223.320 -0.112 20 0 BBADLP NC(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369601210 181233619 /nfs/dbraw/zinc/23/36/19/181233619.db2.gz YLJHXRCTPGKRII-GMTAPVOTSA-N 2 2 223.320 -0.112 20 0 BBADLP NC(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369601210 181233618 /nfs/dbraw/zinc/23/36/18/181233618.db2.gz YLJHXRCTPGKRII-GMTAPVOTSA-N 2 2 223.320 -0.112 20 0 BBADLP NC(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369601210 181233617 /nfs/dbraw/zinc/23/36/17/181233617.db2.gz YLJHXRCTPGKRII-GMTAPVOTSA-N 2 2 223.320 -0.112 20 0 BBADLP NC(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369601211 188248355 /nfs/dbraw/zinc/24/83/55/188248355.db2.gz YLJHXRCTPGKRII-MXWKQRLJSA-N 2 2 223.320 -0.112 20 0 BBADLP NC(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369601211 188248353 /nfs/dbraw/zinc/24/83/53/188248353.db2.gz YLJHXRCTPGKRII-MXWKQRLJSA-N 2 2 223.320 -0.112 20 0 BBADLP NC(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000369601211 188248351 /nfs/dbraw/zinc/24/83/51/188248351.db2.gz YLJHXRCTPGKRII-MXWKQRLJSA-N 2 2 223.320 -0.112 20 0 BBADLP NC(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000369601211 188248350 /nfs/dbraw/zinc/24/83/50/188248350.db2.gz YLJHXRCTPGKRII-MXWKQRLJSA-N 2 2 223.320 -0.112 20 0 BBADLP NC(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369601212 181232865 /nfs/dbraw/zinc/23/28/65/181232865.db2.gz YLJHXRCTPGKRII-OUAUKWLOSA-N 2 2 223.320 -0.112 20 0 BBADLP NC(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369601212 181232863 /nfs/dbraw/zinc/23/28/63/181232863.db2.gz YLJHXRCTPGKRII-OUAUKWLOSA-N 2 2 223.320 -0.112 20 0 BBADLP NC(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000369601212 181232860 /nfs/dbraw/zinc/23/28/60/181232860.db2.gz YLJHXRCTPGKRII-OUAUKWLOSA-N 2 2 223.320 -0.112 20 0 BBADLP NC(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000369601212 181232858 /nfs/dbraw/zinc/23/28/58/181232858.db2.gz YLJHXRCTPGKRII-OUAUKWLOSA-N 2 2 223.320 -0.112 20 0 BBADLP NC(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369601213 181232959 /nfs/dbraw/zinc/23/29/59/181232959.db2.gz YLJHXRCTPGKRII-VWYCJHECSA-N 2 2 223.320 -0.112 20 0 BBADLP NC(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369601213 181232956 /nfs/dbraw/zinc/23/29/56/181232956.db2.gz YLJHXRCTPGKRII-VWYCJHECSA-N 2 2 223.320 -0.112 20 0 BBADLP NC(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000369601213 181232955 /nfs/dbraw/zinc/23/29/55/181232955.db2.gz YLJHXRCTPGKRII-VWYCJHECSA-N 2 2 223.320 -0.112 20 0 BBADLP NC(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000369601213 181232952 /nfs/dbraw/zinc/23/29/52/181232952.db2.gz YLJHXRCTPGKRII-VWYCJHECSA-N 2 2 223.320 -0.112 20 0 BBADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000370475659 170001172 /nfs/dbraw/zinc/00/11/72/170001172.db2.gz DTZWODPIGXNVRA-GHMZBOCLSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000370475659 170001170 /nfs/dbraw/zinc/00/11/70/170001170.db2.gz DTZWODPIGXNVRA-GHMZBOCLSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000370475660 170001558 /nfs/dbraw/zinc/00/15/58/170001558.db2.gz DTZWODPIGXNVRA-MNOVXSKESA-N 2 2 241.335 -0.473 20 0 BBADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000370475660 170001556 /nfs/dbraw/zinc/00/15/56/170001556.db2.gz DTZWODPIGXNVRA-MNOVXSKESA-N 2 2 241.335 -0.473 20 0 BBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000371504099 188248128 /nfs/dbraw/zinc/24/81/28/188248128.db2.gz PWQIOZRQRJURTI-LLVKDONJSA-N 2 2 243.351 -0.227 20 0 BBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000371504099 188248126 /nfs/dbraw/zinc/24/81/26/188248126.db2.gz PWQIOZRQRJURTI-LLVKDONJSA-N 2 2 243.351 -0.227 20 0 BBADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000371504099 188248125 /nfs/dbraw/zinc/24/81/25/188248125.db2.gz PWQIOZRQRJURTI-LLVKDONJSA-N 2 2 243.351 -0.227 20 0 BBADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000371504099 188248123 /nfs/dbraw/zinc/24/81/23/188248123.db2.gz PWQIOZRQRJURTI-LLVKDONJSA-N 2 2 243.351 -0.227 20 0 BBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000371504100 187385849 /nfs/dbraw/zinc/38/58/49/187385849.db2.gz PWQIOZRQRJURTI-NSHDSACASA-N 2 2 243.351 -0.227 20 0 BBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000371504100 187385848 /nfs/dbraw/zinc/38/58/48/187385848.db2.gz PWQIOZRQRJURTI-NSHDSACASA-N 2 2 243.351 -0.227 20 0 BBADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000371504100 187385846 /nfs/dbraw/zinc/38/58/46/187385846.db2.gz PWQIOZRQRJURTI-NSHDSACASA-N 2 2 243.351 -0.227 20 0 BBADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000371504100 187385844 /nfs/dbraw/zinc/38/58/44/187385844.db2.gz PWQIOZRQRJURTI-NSHDSACASA-N 2 2 243.351 -0.227 20 0 BBADLP C[N@H+]1CCN(C2CC[NH+](CCO)CC2)C(=O)C1 ZINC000371637170 173075386 /nfs/dbraw/zinc/07/53/86/173075386.db2.gz GWVQQSZWLXNBKH-UHFFFAOYSA-N 2 2 241.335 -0.783 20 0 BBADLP C[N@@H+]1CCN(C2CC[NH+](CCO)CC2)C(=O)C1 ZINC000371637170 173075384 /nfs/dbraw/zinc/07/53/84/173075384.db2.gz GWVQQSZWLXNBKH-UHFFFAOYSA-N 2 2 241.335 -0.783 20 0 BBADLP O=C(N1CC[NH+](C2CC2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000372118580 182081683 /nfs/dbraw/zinc/08/16/83/182081683.db2.gz LCJKLOAMGROXDS-GFCCVEGCSA-N 2 2 241.310 -0.005 20 0 BBADLP O=C(N1CC[NH+](C2CC2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000372118581 182081718 /nfs/dbraw/zinc/08/17/18/182081718.db2.gz LCJKLOAMGROXDS-LBPRGKRZSA-N 2 2 241.310 -0.005 20 0 BBADLP [NH3+]CC(F)(F)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000372411973 181357926 /nfs/dbraw/zinc/35/79/26/181357926.db2.gz LIDHAKKCQVXYLY-RXMQYKEDSA-N 2 2 243.204 -0.306 20 0 BBADLP [NH3+]CC(F)(F)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000372411974 181357149 /nfs/dbraw/zinc/35/71/49/181357149.db2.gz LIDHAKKCQVXYLY-YFKPBYRVSA-N 2 2 243.204 -0.306 20 0 BBADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCCC[NH+](C)C ZINC000372458586 170001545 /nfs/dbraw/zinc/00/15/45/170001545.db2.gz RVQJIGNWOYEJGT-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCCC[NH+](C)C ZINC000372458586 170001543 /nfs/dbraw/zinc/00/15/43/170001543.db2.gz RVQJIGNWOYEJGT-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP CC[N@H+]1CCOC[C@H]1C(=O)NCCC[NH+](C)C ZINC000372458587 170001626 /nfs/dbraw/zinc/00/16/26/170001626.db2.gz RVQJIGNWOYEJGT-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCCC[NH+](C)C ZINC000372458587 170001625 /nfs/dbraw/zinc/00/16/25/170001625.db2.gz RVQJIGNWOYEJGT-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP CC[N@H+]1CCOC[C@H]1C(=O)NCC[NH+](C)C ZINC000372501156 170002219 /nfs/dbraw/zinc/00/22/19/170002219.db2.gz GWXYODHVQWXZAD-JTQLQIEISA-N 2 2 229.324 -0.615 20 0 BBADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH+](C)C ZINC000372501156 170002218 /nfs/dbraw/zinc/00/22/18/170002218.db2.gz GWXYODHVQWXZAD-JTQLQIEISA-N 2 2 229.324 -0.615 20 0 BBADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH+](C)C ZINC000372501157 170001401 /nfs/dbraw/zinc/00/14/01/170001401.db2.gz GWXYODHVQWXZAD-SNVBAGLBSA-N 2 2 229.324 -0.615 20 0 BBADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH+](C)C ZINC000372501157 170001398 /nfs/dbraw/zinc/00/13/98/170001398.db2.gz GWXYODHVQWXZAD-SNVBAGLBSA-N 2 2 229.324 -0.615 20 0 BBADLP CC[NH+](C)CCNC(=O)[C@H]1COCC[N@H+]1CC ZINC000372972255 387340204 /nfs/dbraw/zinc/34/02/04/387340204.db2.gz GXUUPGWCKRBUCQ-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP CC[NH+](C)CCNC(=O)[C@H]1COCC[N@@H+]1CC ZINC000372972255 387340197 /nfs/dbraw/zinc/34/01/97/387340197.db2.gz GXUUPGWCKRBUCQ-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP CC[N@@H+](C)CCNC(=O)[C@H]1COCC[NH+]1CC ZINC000372972255 387340195 /nfs/dbraw/zinc/34/01/95/387340195.db2.gz GXUUPGWCKRBUCQ-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP CC[N@H+](C)CCNC(=O)[C@H]1COCC[NH+]1CC ZINC000372972255 387340189 /nfs/dbraw/zinc/34/01/89/387340189.db2.gz GXUUPGWCKRBUCQ-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP CC[NH+](C)CCNC(=O)[C@@H]1COCC[N@H+]1CC ZINC000372972256 387338147 /nfs/dbraw/zinc/33/81/47/387338147.db2.gz GXUUPGWCKRBUCQ-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP CC[NH+](C)CCNC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000372972256 387338143 /nfs/dbraw/zinc/33/81/43/387338143.db2.gz GXUUPGWCKRBUCQ-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP CC[N@@H+](C)CCNC(=O)[C@@H]1COCC[NH+]1CC ZINC000372972256 387338140 /nfs/dbraw/zinc/33/81/40/387338140.db2.gz GXUUPGWCKRBUCQ-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP CC[N@H+](C)CCNC(=O)[C@@H]1COCC[NH+]1CC ZINC000372972256 387338135 /nfs/dbraw/zinc/33/81/35/387338135.db2.gz GXUUPGWCKRBUCQ-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP CN1C[C@@H]2C[N@@H+](CCn3cc[nH+]c3)CCN2C1=O ZINC000373245675 173187678 /nfs/dbraw/zinc/18/76/78/173187678.db2.gz NERMRHHNIIGSEA-LLVKDONJSA-N 2 2 249.318 -0.065 20 0 BBADLP CN1C[C@@H]2C[N@H+](CCn3cc[nH+]c3)CCN2C1=O ZINC000373245675 173187677 /nfs/dbraw/zinc/18/76/77/173187677.db2.gz NERMRHHNIIGSEA-LLVKDONJSA-N 2 2 249.318 -0.065 20 0 BBADLP CN1C[C@H]2C[N@@H+](CCn3cc[nH+]c3)CCN2C1=O ZINC000373245676 173196840 /nfs/dbraw/zinc/19/68/40/173196840.db2.gz NERMRHHNIIGSEA-NSHDSACASA-N 2 2 249.318 -0.065 20 0 BBADLP CN1C[C@H]2C[N@H+](CCn3cc[nH+]c3)CCN2C1=O ZINC000373245676 173196837 /nfs/dbraw/zinc/19/68/37/173196837.db2.gz NERMRHHNIIGSEA-NSHDSACASA-N 2 2 249.318 -0.065 20 0 BBADLP CC(C)[NH2+]CC[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000373414717 167106953 /nfs/dbraw/zinc/10/69/53/167106953.db2.gz WYBFOXNPYKIILN-NXEZZACHSA-N 2 2 202.298 -0.588 20 0 BBADLP CC(C)[NH2+]CC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000373414717 167106951 /nfs/dbraw/zinc/10/69/51/167106951.db2.gz WYBFOXNPYKIILN-NXEZZACHSA-N 2 2 202.298 -0.588 20 0 BBADLP CC(C)[NH2+]CC[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000373414721 167106381 /nfs/dbraw/zinc/10/63/81/167106381.db2.gz WYBFOXNPYKIILN-ZJUUUORDSA-N 2 2 202.298 -0.588 20 0 BBADLP CC(C)[NH2+]CC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000373414721 167106377 /nfs/dbraw/zinc/10/63/77/167106377.db2.gz WYBFOXNPYKIILN-ZJUUUORDSA-N 2 2 202.298 -0.588 20 0 BBADLP C[NH+](C)CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC000374527195 412162210 /nfs/dbraw/zinc/16/22/10/412162210.db2.gz ORHXYQGOSRSMDJ-UHFFFAOYSA-N 2 2 235.335 0.438 20 0 BBADLP C[NH+](C)CCNc1ncnc2c1C[N@H+](C)CC2 ZINC000374527195 412162207 /nfs/dbraw/zinc/16/22/07/412162207.db2.gz ORHXYQGOSRSMDJ-UHFFFAOYSA-N 2 2 235.335 0.438 20 0 BBADLP C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000374997714 346550620 /nfs/dbraw/zinc/55/06/20/346550620.db2.gz YHTICDVDBGLLIB-BQBZGAKWSA-N 2 2 221.251 -0.292 20 0 BBADLP C[NH2+][C@@H](C)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000374997715 346550825 /nfs/dbraw/zinc/55/08/25/346550825.db2.gz YHTICDVDBGLLIB-NKWVEPMBSA-N 2 2 221.251 -0.292 20 0 BBADLP C[NH2+][C@H](C)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000374997716 346550830 /nfs/dbraw/zinc/55/08/30/346550830.db2.gz YHTICDVDBGLLIB-RNFRBKRXSA-N 2 2 221.251 -0.292 20 0 BBADLP C[NH2+][C@H](C)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000374997717 536398850 /nfs/dbraw/zinc/39/88/50/536398850.db2.gz YHTICDVDBGLLIB-RQJHMYQMSA-N 2 2 221.251 -0.292 20 0 BBADLP Cn1nncc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000375736629 173197544 /nfs/dbraw/zinc/19/75/44/173197544.db2.gz PYOYKMJGEZIMQP-AOOOYVTPSA-N 2 2 221.308 -0.192 20 0 BBADLP Cn1nncc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000375736629 173197542 /nfs/dbraw/zinc/19/75/42/173197542.db2.gz PYOYKMJGEZIMQP-AOOOYVTPSA-N 2 2 221.308 -0.192 20 0 BBADLP Cn1nncc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000375736629 173197540 /nfs/dbraw/zinc/19/75/40/173197540.db2.gz PYOYKMJGEZIMQP-AOOOYVTPSA-N 2 2 221.308 -0.192 20 0 BBADLP Cn1nncc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000375736629 173197538 /nfs/dbraw/zinc/19/75/38/173197538.db2.gz PYOYKMJGEZIMQP-AOOOYVTPSA-N 2 2 221.308 -0.192 20 0 BBADLP O=C(NCCn1cc[nH+]c1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000375832959 182216236 /nfs/dbraw/zinc/21/62/36/182216236.db2.gz YUROWORBBGVBOM-MRVPVSSYSA-N 2 2 244.245 -0.004 20 0 BBADLP O=C(NCCn1cc[nH+]c1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000375832960 182214769 /nfs/dbraw/zinc/21/47/69/182214769.db2.gz YUROWORBBGVBOM-QMMMGPOBSA-N 2 2 244.245 -0.004 20 0 BBADLP O=C(NCCn1cc[nH+]c1)[C@]1(F)CC[NH2+]C1 ZINC000376695066 182216298 /nfs/dbraw/zinc/21/62/98/182216298.db2.gz MVZALMJZEBJJEU-JTQLQIEISA-N 2 2 226.255 -0.299 20 0 BBADLP O=C(NCCn1cc[nH+]c1)[C@@]1(F)CC[NH2+]C1 ZINC000376695067 182214775 /nfs/dbraw/zinc/21/47/75/182214775.db2.gz MVZALMJZEBJJEU-SNVBAGLBSA-N 2 2 226.255 -0.299 20 0 BBADLP Nc1ccc(NC(=O)C[C@@H]2COCC[NH2+]2)c[nH+]1 ZINC000377410906 411958901 /nfs/dbraw/zinc/95/89/01/411958901.db2.gz KLQMDIBGSXKUEP-SECBINFHSA-N 2 2 236.275 -0.019 20 0 BBADLP Nc1ccc(NC(=O)C[C@H]2COCC[NH2+]2)c[nH+]1 ZINC000377410907 411957852 /nfs/dbraw/zinc/95/78/52/411957852.db2.gz KLQMDIBGSXKUEP-VIFPVBQESA-N 2 2 236.275 -0.019 20 0 BBADLP Cc1cn2c([nH+]1)CC[C@H](NC(=O)C1C[NH2+]C1)C2 ZINC000378641980 387792546 /nfs/dbraw/zinc/79/25/46/387792546.db2.gz MVJTVPKQHBMJRJ-JTQLQIEISA-N 2 2 234.303 -0.158 20 0 BBADLP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)C1C[NH2+]C1)C2 ZINC000378641981 387792510 /nfs/dbraw/zinc/79/25/10/387792510.db2.gz MVJTVPKQHBMJRJ-SNVBAGLBSA-N 2 2 234.303 -0.158 20 0 BBADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C2C[NH2+]C2)C1 ZINC000378643477 180755881 /nfs/dbraw/zinc/75/58/81/180755881.db2.gz UBDYQMVPKBXWLJ-SECBINFHSA-N 2 2 234.303 -0.045 20 0 BBADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C2C[NH2+]C2)C1 ZINC000378643478 387792286 /nfs/dbraw/zinc/79/22/86/387792286.db2.gz UBDYQMVPKBXWLJ-VIFPVBQESA-N 2 2 234.303 -0.045 20 0 BBADLP C[NH+]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000378659950 388480641 /nfs/dbraw/zinc/48/06/41/388480641.db2.gz ABFWBKKFSBHTJH-BBBLOLIVSA-N 2 2 209.293 -0.489 20 0 BBADLP C[NH+](C)CCONC(=O)CCn1cc[nH+]c1 ZINC000379199454 712371197 /nfs/dbraw/zinc/37/11/97/712371197.db2.gz YBZOFAOMQBWYRZ-UHFFFAOYSA-N 2 2 226.280 -0.117 20 0 BBADLP CCOC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000379533836 712387825 /nfs/dbraw/zinc/38/78/25/712387825.db2.gz KIPAFMZICVGVPB-AEJSXWLSSA-N 2 2 202.298 -0.195 20 0 BBADLP CCOC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000379533836 712387824 /nfs/dbraw/zinc/38/78/24/712387824.db2.gz KIPAFMZICVGVPB-AEJSXWLSSA-N 2 2 202.298 -0.195 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCOC ZINC000379603878 359564446 /nfs/dbraw/zinc/56/44/46/359564446.db2.gz ONFUPRKYJUYFJB-JTQLQIEISA-N 2 2 204.314 -0.123 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+](C)CCOC ZINC000379603878 359564444 /nfs/dbraw/zinc/56/44/44/359564444.db2.gz ONFUPRKYJUYFJB-JTQLQIEISA-N 2 2 204.314 -0.123 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000379603878 359564441 /nfs/dbraw/zinc/56/44/41/359564441.db2.gz ONFUPRKYJUYFJB-JTQLQIEISA-N 2 2 204.314 -0.123 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000379603878 359564437 /nfs/dbraw/zinc/56/44/37/359564437.db2.gz ONFUPRKYJUYFJB-JTQLQIEISA-N 2 2 204.314 -0.123 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCOC ZINC000379603885 359564610 /nfs/dbraw/zinc/56/46/10/359564610.db2.gz ONFUPRKYJUYFJB-SNVBAGLBSA-N 2 2 204.314 -0.123 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCOC ZINC000379603885 359564609 /nfs/dbraw/zinc/56/46/09/359564609.db2.gz ONFUPRKYJUYFJB-SNVBAGLBSA-N 2 2 204.314 -0.123 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000379603885 359564608 /nfs/dbraw/zinc/56/46/08/359564608.db2.gz ONFUPRKYJUYFJB-SNVBAGLBSA-N 2 2 204.314 -0.123 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000379603885 359564607 /nfs/dbraw/zinc/56/46/07/359564607.db2.gz ONFUPRKYJUYFJB-SNVBAGLBSA-N 2 2 204.314 -0.123 20 0 BBADLP CC[N@@H+](CC[NH3+])CCN1C(=O)NC(C)(C)C1=O ZINC000379814441 361792589 /nfs/dbraw/zinc/79/25/89/361792589.db2.gz OKECRNPOHLMOLD-UHFFFAOYSA-N 2 2 242.323 -0.403 20 0 BBADLP CC[N@H+](CC[NH3+])CCN1C(=O)NC(C)(C)C1=O ZINC000379814441 361792580 /nfs/dbraw/zinc/79/25/80/361792580.db2.gz OKECRNPOHLMOLD-UHFFFAOYSA-N 2 2 242.323 -0.403 20 0 BBADLP Cc1nc(N(C)CC[NH+](C)C)nc(N)[nH+]1 ZINC000379840493 411940825 /nfs/dbraw/zinc/94/08/25/411940825.db2.gz CWAKQHHQYAKBMK-UHFFFAOYSA-N 2 2 210.285 -0.240 20 0 BBADLP CN(C)S(=O)(=O)CC[NH+]1CCC([NH3+])CC1 ZINC000379843758 365312302 /nfs/dbraw/zinc/31/23/02/365312302.db2.gz DORHENXHRNVPQQ-UHFFFAOYSA-N 2 2 235.353 -0.699 20 0 BBADLP C[N@H+]1CCN(Cc2csnn2)[C@H](C[NH3+])C1 ZINC000379877312 365334732 /nfs/dbraw/zinc/33/47/32/365334732.db2.gz UEFPKWHZRUHEEN-SECBINFHSA-N 2 2 227.337 -0.387 20 0 BBADLP C[N@@H+]1CCN(Cc2csnn2)[C@H](C[NH3+])C1 ZINC000379877312 365334731 /nfs/dbraw/zinc/33/47/31/365334731.db2.gz UEFPKWHZRUHEEN-SECBINFHSA-N 2 2 227.337 -0.387 20 0 BBADLP C[N@H+]1CCN(Cc2csnn2)[C@@H](C[NH3+])C1 ZINC000379877314 365335395 /nfs/dbraw/zinc/33/53/95/365335395.db2.gz UEFPKWHZRUHEEN-VIFPVBQESA-N 2 2 227.337 -0.387 20 0 BBADLP C[N@@H+]1CCN(Cc2csnn2)[C@@H](C[NH3+])C1 ZINC000379877314 365335386 /nfs/dbraw/zinc/33/53/86/365335386.db2.gz UEFPKWHZRUHEEN-VIFPVBQESA-N 2 2 227.337 -0.387 20 0 BBADLP C[NH2+]CCC[N@@H+](C)CCS(=O)(=O)N(C)C ZINC000379886156 351192158 /nfs/dbraw/zinc/19/21/58/351192158.db2.gz YDWUQSWNCLRVBZ-UHFFFAOYSA-N 2 2 237.369 -0.581 20 0 BBADLP C[NH2+]CCC[N@H+](C)CCS(=O)(=O)N(C)C ZINC000379886156 351192154 /nfs/dbraw/zinc/19/21/54/351192154.db2.gz YDWUQSWNCLRVBZ-UHFFFAOYSA-N 2 2 237.369 -0.581 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](CO)C1 ZINC000379922287 398242842 /nfs/dbraw/zinc/24/28/42/398242842.db2.gz QZAORKVYFHTHMV-NEPJUHHUSA-N 2 2 246.351 -0.760 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CO)C1 ZINC000379922287 398242841 /nfs/dbraw/zinc/24/28/41/398242841.db2.gz QZAORKVYFHTHMV-NEPJUHHUSA-N 2 2 246.351 -0.760 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CO)C1 ZINC000379922287 398242837 /nfs/dbraw/zinc/24/28/37/398242837.db2.gz QZAORKVYFHTHMV-NEPJUHHUSA-N 2 2 246.351 -0.760 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CO)C1 ZINC000379922287 398242835 /nfs/dbraw/zinc/24/28/35/398242835.db2.gz QZAORKVYFHTHMV-NEPJUHHUSA-N 2 2 246.351 -0.760 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](CO)C1 ZINC000379922288 398177009 /nfs/dbraw/zinc/17/70/09/398177009.db2.gz QZAORKVYFHTHMV-NWDGAFQWSA-N 2 2 246.351 -0.760 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](CO)C1 ZINC000379922288 398177006 /nfs/dbraw/zinc/17/70/06/398177006.db2.gz QZAORKVYFHTHMV-NWDGAFQWSA-N 2 2 246.351 -0.760 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CO)C1 ZINC000379922288 398177002 /nfs/dbraw/zinc/17/70/02/398177002.db2.gz QZAORKVYFHTHMV-NWDGAFQWSA-N 2 2 246.351 -0.760 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CO)C1 ZINC000379922288 398176999 /nfs/dbraw/zinc/17/69/99/398176999.db2.gz QZAORKVYFHTHMV-NWDGAFQWSA-N 2 2 246.351 -0.760 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](CO)C1 ZINC000379922289 398177331 /nfs/dbraw/zinc/17/73/31/398177331.db2.gz QZAORKVYFHTHMV-RYUDHWBXSA-N 2 2 246.351 -0.760 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CO)C1 ZINC000379922289 398177326 /nfs/dbraw/zinc/17/73/26/398177326.db2.gz QZAORKVYFHTHMV-RYUDHWBXSA-N 2 2 246.351 -0.760 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CO)C1 ZINC000379922289 398177323 /nfs/dbraw/zinc/17/73/23/398177323.db2.gz QZAORKVYFHTHMV-RYUDHWBXSA-N 2 2 246.351 -0.760 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](CO)C1 ZINC000379922289 398177318 /nfs/dbraw/zinc/17/73/18/398177318.db2.gz QZAORKVYFHTHMV-RYUDHWBXSA-N 2 2 246.351 -0.760 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](CO)C1 ZINC000379922291 398176928 /nfs/dbraw/zinc/17/69/28/398176928.db2.gz QZAORKVYFHTHMV-VXGBXAGGSA-N 2 2 246.351 -0.760 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](CO)C1 ZINC000379922291 398176925 /nfs/dbraw/zinc/17/69/25/398176925.db2.gz QZAORKVYFHTHMV-VXGBXAGGSA-N 2 2 246.351 -0.760 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CO)C1 ZINC000379922291 398176922 /nfs/dbraw/zinc/17/69/22/398176922.db2.gz QZAORKVYFHTHMV-VXGBXAGGSA-N 2 2 246.351 -0.760 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CO)C1 ZINC000379922291 398176918 /nfs/dbraw/zinc/17/69/18/398176918.db2.gz QZAORKVYFHTHMV-VXGBXAGGSA-N 2 2 246.351 -0.760 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](CCO)C(C)C ZINC000379936624 365749478 /nfs/dbraw/zinc/74/94/78/365749478.db2.gz WCWFGHUPRRGJPV-GFCCVEGCSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](CCO)C(C)C ZINC000379936624 365749477 /nfs/dbraw/zinc/74/94/77/365749477.db2.gz WCWFGHUPRRGJPV-GFCCVEGCSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](CCO)C(C)C ZINC000379936624 365749476 /nfs/dbraw/zinc/74/94/76/365749476.db2.gz WCWFGHUPRRGJPV-GFCCVEGCSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](CCO)C(C)C ZINC000379936624 365749474 /nfs/dbraw/zinc/74/94/74/365749474.db2.gz WCWFGHUPRRGJPV-GFCCVEGCSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](CCO)C(C)C ZINC000379936625 365748549 /nfs/dbraw/zinc/74/85/49/365748549.db2.gz WCWFGHUPRRGJPV-LBPRGKRZSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+](CCO)C(C)C ZINC000379936625 365748540 /nfs/dbraw/zinc/74/85/40/365748540.db2.gz WCWFGHUPRRGJPV-LBPRGKRZSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](CCO)C(C)C ZINC000379936625 365748533 /nfs/dbraw/zinc/74/85/33/365748533.db2.gz WCWFGHUPRRGJPV-LBPRGKRZSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+](CCO)C(C)C ZINC000379936625 365748527 /nfs/dbraw/zinc/74/85/27/365748527.db2.gz WCWFGHUPRRGJPV-LBPRGKRZSA-N 2 2 248.367 -0.372 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C(=O)OC)C1 ZINC000379943365 365755558 /nfs/dbraw/zinc/75/55/58/365755558.db2.gz YIVSGEUCYBAGOS-GHMZBOCLSA-N 2 2 244.335 -0.206 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C(=O)OC)C1 ZINC000379943365 365755554 /nfs/dbraw/zinc/75/55/54/365755554.db2.gz YIVSGEUCYBAGOS-GHMZBOCLSA-N 2 2 244.335 -0.206 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C(=O)OC)C1 ZINC000379943365 365755548 /nfs/dbraw/zinc/75/55/48/365755548.db2.gz YIVSGEUCYBAGOS-GHMZBOCLSA-N 2 2 244.335 -0.206 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C(=O)OC)C1 ZINC000379943365 365755545 /nfs/dbraw/zinc/75/55/45/365755545.db2.gz YIVSGEUCYBAGOS-GHMZBOCLSA-N 2 2 244.335 -0.206 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C(=O)OC)C1 ZINC000379943367 365755898 /nfs/dbraw/zinc/75/58/98/365755898.db2.gz YIVSGEUCYBAGOS-MNOVXSKESA-N 2 2 244.335 -0.206 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C(=O)OC)C1 ZINC000379943367 365755893 /nfs/dbraw/zinc/75/58/93/365755893.db2.gz YIVSGEUCYBAGOS-MNOVXSKESA-N 2 2 244.335 -0.206 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(=O)OC)C1 ZINC000379943367 365755885 /nfs/dbraw/zinc/75/58/85/365755885.db2.gz YIVSGEUCYBAGOS-MNOVXSKESA-N 2 2 244.335 -0.206 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(=O)OC)C1 ZINC000379943367 365755878 /nfs/dbraw/zinc/75/58/78/365755878.db2.gz YIVSGEUCYBAGOS-MNOVXSKESA-N 2 2 244.335 -0.206 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C(=O)OC)C1 ZINC000379943369 365756245 /nfs/dbraw/zinc/75/62/45/365756245.db2.gz YIVSGEUCYBAGOS-QWRGUYRKSA-N 2 2 244.335 -0.206 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC000379943369 365756241 /nfs/dbraw/zinc/75/62/41/365756241.db2.gz YIVSGEUCYBAGOS-QWRGUYRKSA-N 2 2 244.335 -0.206 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(=O)OC)C1 ZINC000379943369 365756235 /nfs/dbraw/zinc/75/62/35/365756235.db2.gz YIVSGEUCYBAGOS-QWRGUYRKSA-N 2 2 244.335 -0.206 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(=O)OC)C1 ZINC000379943369 365756227 /nfs/dbraw/zinc/75/62/27/365756227.db2.gz YIVSGEUCYBAGOS-QWRGUYRKSA-N 2 2 244.335 -0.206 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](C(=O)OC)C1 ZINC000379943371 365755363 /nfs/dbraw/zinc/75/53/63/365755363.db2.gz YIVSGEUCYBAGOS-WDEREUQCSA-N 2 2 244.335 -0.206 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC000379943371 365755358 /nfs/dbraw/zinc/75/53/58/365755358.db2.gz YIVSGEUCYBAGOS-WDEREUQCSA-N 2 2 244.335 -0.206 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(=O)OC)C1 ZINC000379943371 365755355 /nfs/dbraw/zinc/75/53/55/365755355.db2.gz YIVSGEUCYBAGOS-WDEREUQCSA-N 2 2 244.335 -0.206 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(=O)OC)C1 ZINC000379943371 365755351 /nfs/dbraw/zinc/75/53/51/365755351.db2.gz YIVSGEUCYBAGOS-WDEREUQCSA-N 2 2 244.335 -0.206 20 0 BBADLP C[NH2+]C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000379958822 488165323 /nfs/dbraw/zinc/16/53/23/488165323.db2.gz GEQVTGGOMYNETP-SECBINFHSA-N 2 2 210.281 -0.003 20 0 BBADLP C[NH2+]C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000379958840 488165086 /nfs/dbraw/zinc/16/50/86/488165086.db2.gz GEQVTGGOMYNETP-VIFPVBQESA-N 2 2 210.281 -0.003 20 0 BBADLP Cc1[nH+]c[nH]c1CNC(=O)COC1(C)C[NH2+]C1 ZINC000379968302 398176975 /nfs/dbraw/zinc/17/69/75/398176975.db2.gz JSTJZTVFOLFIRM-UHFFFAOYSA-N 2 2 238.291 -0.287 20 0 BBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000379982797 357355700 /nfs/dbraw/zinc/35/57/00/357355700.db2.gz ZRYRLOKHQSBCEI-SCZZXKLOSA-N 2 2 238.291 -0.289 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000379984574 365780434 /nfs/dbraw/zinc/78/04/34/365780434.db2.gz KABUGWUZNIZANF-SRVKXCTJSA-N 2 2 246.351 -0.619 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000379984574 365780427 /nfs/dbraw/zinc/78/04/27/365780427.db2.gz KABUGWUZNIZANF-SRVKXCTJSA-N 2 2 246.351 -0.619 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@@H]1C ZINC000379984574 365780423 /nfs/dbraw/zinc/78/04/23/365780423.db2.gz KABUGWUZNIZANF-SRVKXCTJSA-N 2 2 246.351 -0.619 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@@H]1C ZINC000379984574 365780417 /nfs/dbraw/zinc/78/04/17/365780417.db2.gz KABUGWUZNIZANF-SRVKXCTJSA-N 2 2 246.351 -0.619 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@@H]1C ZINC000379984575 365779386 /nfs/dbraw/zinc/77/93/86/365779386.db2.gz KABUGWUZNIZANF-TUAOUCFPSA-N 2 2 246.351 -0.619 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000379984575 365779383 /nfs/dbraw/zinc/77/93/83/365779383.db2.gz KABUGWUZNIZANF-TUAOUCFPSA-N 2 2 246.351 -0.619 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@@H]1C ZINC000379984575 365779378 /nfs/dbraw/zinc/77/93/78/365779378.db2.gz KABUGWUZNIZANF-TUAOUCFPSA-N 2 2 246.351 -0.619 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@@H]1C ZINC000379984575 365779376 /nfs/dbraw/zinc/77/93/76/365779376.db2.gz KABUGWUZNIZANF-TUAOUCFPSA-N 2 2 246.351 -0.619 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@H]1C ZINC000379984576 365779768 /nfs/dbraw/zinc/77/97/68/365779768.db2.gz KABUGWUZNIZANF-UTUOFQBUSA-N 2 2 246.351 -0.619 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000379984576 365779762 /nfs/dbraw/zinc/77/97/62/365779762.db2.gz KABUGWUZNIZANF-UTUOFQBUSA-N 2 2 246.351 -0.619 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@H]1C ZINC000379984576 365779758 /nfs/dbraw/zinc/77/97/58/365779758.db2.gz KABUGWUZNIZANF-UTUOFQBUSA-N 2 2 246.351 -0.619 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@H]1C ZINC000379984576 365779752 /nfs/dbraw/zinc/77/97/52/365779752.db2.gz KABUGWUZNIZANF-UTUOFQBUSA-N 2 2 246.351 -0.619 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000379984577 365779518 /nfs/dbraw/zinc/77/95/18/365779518.db2.gz KABUGWUZNIZANF-WOPDTQHZSA-N 2 2 246.351 -0.619 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000379984577 365779516 /nfs/dbraw/zinc/77/95/16/365779516.db2.gz KABUGWUZNIZANF-WOPDTQHZSA-N 2 2 246.351 -0.619 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@H]1C ZINC000379984577 365779510 /nfs/dbraw/zinc/77/95/10/365779510.db2.gz KABUGWUZNIZANF-WOPDTQHZSA-N 2 2 246.351 -0.619 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@H]1C ZINC000379984577 365779505 /nfs/dbraw/zinc/77/95/05/365779505.db2.gz KABUGWUZNIZANF-WOPDTQHZSA-N 2 2 246.351 -0.619 20 0 BBADLP COC[C@@](C)([NH3+])CNc1cc[nH+]c(C)n1 ZINC000379985042 411645231 /nfs/dbraw/zinc/64/52/31/411645231.db2.gz URVOIBQOZDHEBR-JTQLQIEISA-N 2 2 210.281 0.561 20 0 BBADLP COC[C@](C)([NH3+])CNc1cc[nH+]c(C)n1 ZINC000379985043 411655011 /nfs/dbraw/zinc/65/50/11/411655011.db2.gz URVOIBQOZDHEBR-SNVBAGLBSA-N 2 2 210.281 0.561 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)Cn1cc[nH+]c1 ZINC000380006334 488166971 /nfs/dbraw/zinc/16/69/71/488166971.db2.gz LEMGUWCGRKTYSF-JTQLQIEISA-N 2 2 213.281 -0.178 20 0 BBADLP COCC[N@H+](C)C[C@H](O)Cn1cc[nH+]c1 ZINC000380006334 488166964 /nfs/dbraw/zinc/16/69/64/488166964.db2.gz LEMGUWCGRKTYSF-JTQLQIEISA-N 2 2 213.281 -0.178 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)Cn1cc[nH+]c1 ZINC000380006355 488166700 /nfs/dbraw/zinc/16/67/00/488166700.db2.gz LEMGUWCGRKTYSF-SNVBAGLBSA-N 2 2 213.281 -0.178 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)Cn1cc[nH+]c1 ZINC000380006355 488166698 /nfs/dbraw/zinc/16/66/98/488166698.db2.gz LEMGUWCGRKTYSF-SNVBAGLBSA-N 2 2 213.281 -0.178 20 0 BBADLP [NH3+]CC(F)(F)CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000380083150 365866928 /nfs/dbraw/zinc/86/69/28/365866928.db2.gz GVFXSZDAWRZCEU-YFKPBYRVSA-N 2 2 225.264 -0.641 20 0 BBADLP CCS(=O)(=O)NCC[N@@H+](C)CCC[NH3+] ZINC000380097074 398184445 /nfs/dbraw/zinc/18/44/45/398184445.db2.gz KOUCGPRFNDMRAG-UHFFFAOYSA-N 2 2 223.342 -0.794 20 0 BBADLP CCS(=O)(=O)NCC[N@H+](C)CCC[NH3+] ZINC000380097074 398184442 /nfs/dbraw/zinc/18/44/42/398184442.db2.gz KOUCGPRFNDMRAG-UHFFFAOYSA-N 2 2 223.342 -0.794 20 0 BBADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC(N)=O ZINC000380107522 538985536 /nfs/dbraw/zinc/98/55/36/538985536.db2.gz NIMOFQOPYRFKEG-PSASIEDQSA-N 2 2 211.309 -0.066 20 0 BBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC(N)=O ZINC000380107522 538985535 /nfs/dbraw/zinc/98/55/35/538985535.db2.gz NIMOFQOPYRFKEG-PSASIEDQSA-N 2 2 211.309 -0.066 20 0 BBADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC(N)=O ZINC000380107524 538985206 /nfs/dbraw/zinc/98/52/06/538985206.db2.gz NIMOFQOPYRFKEG-SCZZXKLOSA-N 2 2 211.309 -0.066 20 0 BBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC(N)=O ZINC000380107524 538985205 /nfs/dbraw/zinc/98/52/05/538985205.db2.gz NIMOFQOPYRFKEG-SCZZXKLOSA-N 2 2 211.309 -0.066 20 0 BBADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC(N)=O ZINC000380107531 538985462 /nfs/dbraw/zinc/98/54/62/538985462.db2.gz NIMOFQOPYRFKEG-WCBMZHEXSA-N 2 2 211.309 -0.066 20 0 BBADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC(N)=O ZINC000380107531 538985460 /nfs/dbraw/zinc/98/54/60/538985460.db2.gz NIMOFQOPYRFKEG-WCBMZHEXSA-N 2 2 211.309 -0.066 20 0 BBADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC(N)=O ZINC000380107537 538985370 /nfs/dbraw/zinc/98/53/70/538985370.db2.gz NIMOFQOPYRFKEG-WPRPVWTQSA-N 2 2 211.309 -0.066 20 0 BBADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC(N)=O ZINC000380107537 538985369 /nfs/dbraw/zinc/98/53/69/538985369.db2.gz NIMOFQOPYRFKEG-WPRPVWTQSA-N 2 2 211.309 -0.066 20 0 BBADLP CN(Cc1[nH]cc[nH+]1)C[C@H]1C[NH2+]CCO1 ZINC000380144963 351365377 /nfs/dbraw/zinc/36/53/77/351365377.db2.gz ZHKYKJKEHLDMIV-SECBINFHSA-N 2 2 210.281 -0.170 20 0 BBADLP CN(Cc1[nH]cc[nH+]1)C[C@@H]1C[NH2+]CCO1 ZINC000380144966 351365352 /nfs/dbraw/zinc/36/53/52/351365352.db2.gz ZHKYKJKEHLDMIV-VIFPVBQESA-N 2 2 210.281 -0.170 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](OC)C1 ZINC000380162132 346270774 /nfs/dbraw/zinc/27/07/74/346270774.db2.gz VCXLENKOIBNDKR-NEPJUHHUSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](OC)C1 ZINC000380162132 346270771 /nfs/dbraw/zinc/27/07/71/346270771.db2.gz VCXLENKOIBNDKR-NEPJUHHUSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](OC)C1 ZINC000380162132 346270769 /nfs/dbraw/zinc/27/07/69/346270769.db2.gz VCXLENKOIBNDKR-NEPJUHHUSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](OC)C1 ZINC000380162132 346270765 /nfs/dbraw/zinc/27/07/65/346270765.db2.gz VCXLENKOIBNDKR-NEPJUHHUSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](OC)C1 ZINC000380162134 712702971 /nfs/dbraw/zinc/70/29/71/712702971.db2.gz VCXLENKOIBNDKR-NWDGAFQWSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](OC)C1 ZINC000380162134 712702967 /nfs/dbraw/zinc/70/29/67/712702967.db2.gz VCXLENKOIBNDKR-NWDGAFQWSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OC)C1 ZINC000380162134 712702965 /nfs/dbraw/zinc/70/29/65/712702965.db2.gz VCXLENKOIBNDKR-NWDGAFQWSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OC)C1 ZINC000380162134 712702962 /nfs/dbraw/zinc/70/29/62/712702962.db2.gz VCXLENKOIBNDKR-NWDGAFQWSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](OC)C1 ZINC000380162135 346270102 /nfs/dbraw/zinc/27/01/02/346270102.db2.gz VCXLENKOIBNDKR-RYUDHWBXSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](OC)C1 ZINC000380162135 346270098 /nfs/dbraw/zinc/27/00/98/346270098.db2.gz VCXLENKOIBNDKR-RYUDHWBXSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](OC)C1 ZINC000380162135 346270095 /nfs/dbraw/zinc/27/00/95/346270095.db2.gz VCXLENKOIBNDKR-RYUDHWBXSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](OC)C1 ZINC000380162135 346270091 /nfs/dbraw/zinc/27/00/91/346270091.db2.gz VCXLENKOIBNDKR-RYUDHWBXSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](OC)C1 ZINC000380162138 712703053 /nfs/dbraw/zinc/70/30/53/712703053.db2.gz VCXLENKOIBNDKR-VXGBXAGGSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](OC)C1 ZINC000380162138 712703050 /nfs/dbraw/zinc/70/30/50/712703050.db2.gz VCXLENKOIBNDKR-VXGBXAGGSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](OC)C1 ZINC000380162138 712703047 /nfs/dbraw/zinc/70/30/47/712703047.db2.gz VCXLENKOIBNDKR-VXGBXAGGSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](OC)C1 ZINC000380162138 712703045 /nfs/dbraw/zinc/70/30/45/712703045.db2.gz VCXLENKOIBNDKR-VXGBXAGGSA-N 2 2 246.351 -0.354 20 0 BBADLP CON(C)C(=O)CC[NH2+]C[C@H](C)[NH+](C)C ZINC000380281653 712860538 /nfs/dbraw/zinc/86/05/38/712860538.db2.gz ZDKKEAUDRGCRNI-VIFPVBQESA-N 2 2 217.313 -0.064 20 0 BBADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cn[nH]c2)C1 ZINC000380344276 538989061 /nfs/dbraw/zinc/98/90/61/538989061.db2.gz SPLFPMXGJNMANX-JTQLQIEISA-N 2 2 210.281 -0.434 20 0 BBADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cn[nH]c2)C1 ZINC000380344281 538989388 /nfs/dbraw/zinc/98/93/88/538989388.db2.gz SPLFPMXGJNMANX-SNVBAGLBSA-N 2 2 210.281 -0.434 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000380408246 712900639 /nfs/dbraw/zinc/90/06/39/712900639.db2.gz WZLICNVHINJSRJ-GRYCIOLGSA-N 2 2 228.336 -0.123 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000380408246 712900638 /nfs/dbraw/zinc/90/06/38/712900638.db2.gz WZLICNVHINJSRJ-GRYCIOLGSA-N 2 2 228.336 -0.123 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2C[C@@H]2C1 ZINC000380408246 712900637 /nfs/dbraw/zinc/90/06/37/712900637.db2.gz WZLICNVHINJSRJ-GRYCIOLGSA-N 2 2 228.336 -0.123 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2C[C@@H]2C1 ZINC000380408246 712900636 /nfs/dbraw/zinc/90/06/36/712900636.db2.gz WZLICNVHINJSRJ-GRYCIOLGSA-N 2 2 228.336 -0.123 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000380408248 712900671 /nfs/dbraw/zinc/90/06/71/712900671.db2.gz WZLICNVHINJSRJ-TUAOUCFPSA-N 2 2 228.336 -0.123 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000380408248 712900670 /nfs/dbraw/zinc/90/06/70/712900670.db2.gz WZLICNVHINJSRJ-TUAOUCFPSA-N 2 2 228.336 -0.123 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C[C@@H]2C1 ZINC000380408248 712900669 /nfs/dbraw/zinc/90/06/69/712900669.db2.gz WZLICNVHINJSRJ-TUAOUCFPSA-N 2 2 228.336 -0.123 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C[C@@H]2C1 ZINC000380408248 712900668 /nfs/dbraw/zinc/90/06/68/712900668.db2.gz WZLICNVHINJSRJ-TUAOUCFPSA-N 2 2 228.336 -0.123 20 0 BBADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H](O)C1 ZINC000380456978 712901128 /nfs/dbraw/zinc/90/11/28/712901128.db2.gz MKCVUTZEKYNZQC-NEPJUHHUSA-N 2 2 228.336 -0.100 20 0 BBADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](O)C1 ZINC000380456978 712901127 /nfs/dbraw/zinc/90/11/27/712901127.db2.gz MKCVUTZEKYNZQC-NEPJUHHUSA-N 2 2 228.336 -0.100 20 0 BBADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H](O)C1 ZINC000380456984 712900988 /nfs/dbraw/zinc/90/09/88/712900988.db2.gz MKCVUTZEKYNZQC-VXGBXAGGSA-N 2 2 228.336 -0.100 20 0 BBADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](O)C1 ZINC000380456984 712900987 /nfs/dbraw/zinc/90/09/87/712900987.db2.gz MKCVUTZEKYNZQC-VXGBXAGGSA-N 2 2 228.336 -0.100 20 0 BBADLP CS(=O)(=O)CCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000380706669 712902451 /nfs/dbraw/zinc/90/24/51/712902451.db2.gz MDZAJSVJWHKCSU-WDEREUQCSA-N 2 2 246.376 -0.038 20 0 BBADLP CS(=O)(=O)CCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000380706669 712902450 /nfs/dbraw/zinc/90/24/50/712902450.db2.gz MDZAJSVJWHKCSU-WDEREUQCSA-N 2 2 246.376 -0.038 20 0 BBADLP CN(C)S(=O)(=O)CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000380742433 387417900 /nfs/dbraw/zinc/41/79/00/387417900.db2.gz SEJIBCORBBYJFT-AOOOYVTPSA-N 2 2 247.364 -0.971 20 0 BBADLP CN(C)S(=O)(=O)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000380742433 387417897 /nfs/dbraw/zinc/41/78/97/387417897.db2.gz SEJIBCORBBYJFT-AOOOYVTPSA-N 2 2 247.364 -0.971 20 0 BBADLP CN(C)S(=O)(=O)CC[N@@H+](C)C1CC[NH2+]CC1 ZINC000380806242 373561428 /nfs/dbraw/zinc/56/14/28/373561428.db2.gz ILFPGGQAPIKTRY-UHFFFAOYSA-N 2 2 249.380 -0.438 20 0 BBADLP CN(C)S(=O)(=O)CC[N@H+](C)C1CC[NH2+]CC1 ZINC000380806242 373561425 /nfs/dbraw/zinc/56/14/25/373561425.db2.gz ILFPGGQAPIKTRY-UHFFFAOYSA-N 2 2 249.380 -0.438 20 0 BBADLP CN(C)S(=O)(=O)CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000380837678 538993565 /nfs/dbraw/zinc/99/35/65/538993565.db2.gz SEJIBCORBBYJFT-NXEZZACHSA-N 2 2 247.364 -0.971 20 0 BBADLP CN(C)S(=O)(=O)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000380837680 538993527 /nfs/dbraw/zinc/99/35/27/538993527.db2.gz SEJIBCORBBYJFT-UWVGGRQHSA-N 2 2 247.364 -0.971 20 0 BBADLP C[C@H](C[S@](C)=O)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000380979772 367330449 /nfs/dbraw/zinc/33/04/49/367330449.db2.gz CEUDRDULYRBMSA-RBIVETJNSA-N 2 2 248.392 -0.202 20 0 BBADLP C[C@H](C[S@](C)=O)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000380979772 367330445 /nfs/dbraw/zinc/33/04/45/367330445.db2.gz CEUDRDULYRBMSA-RBIVETJNSA-N 2 2 248.392 -0.202 20 0 BBADLP C[C@H](C[S@](C)=O)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000380979774 367330719 /nfs/dbraw/zinc/33/07/19/367330719.db2.gz CEUDRDULYRBMSA-RDGWCUKFSA-N 2 2 248.392 -0.202 20 0 BBADLP C[C@H](C[S@](C)=O)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000380979774 367330714 /nfs/dbraw/zinc/33/07/14/367330714.db2.gz CEUDRDULYRBMSA-RDGWCUKFSA-N 2 2 248.392 -0.202 20 0 BBADLP C[C@H](C[S@@](C)=O)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000380979777 367329987 /nfs/dbraw/zinc/32/99/87/367329987.db2.gz CEUDRDULYRBMSA-SEFYAATASA-N 2 2 248.392 -0.202 20 0 BBADLP C[C@H](C[S@@](C)=O)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000380979777 367329980 /nfs/dbraw/zinc/32/99/80/367329980.db2.gz CEUDRDULYRBMSA-SEFYAATASA-N 2 2 248.392 -0.202 20 0 BBADLP C[C@H](C[S@@](C)=O)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000380979778 367330653 /nfs/dbraw/zinc/33/06/53/367330653.db2.gz CEUDRDULYRBMSA-ZYSBLVPFSA-N 2 2 248.392 -0.202 20 0 BBADLP C[C@H](C[S@@](C)=O)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000380979778 367330646 /nfs/dbraw/zinc/33/06/46/367330646.db2.gz CEUDRDULYRBMSA-ZYSBLVPFSA-N 2 2 248.392 -0.202 20 0 BBADLP Cn1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1=O ZINC000380980352 398216612 /nfs/dbraw/zinc/21/66/12/398216612.db2.gz AWQANFVLWWKGRG-JTQLQIEISA-N 2 2 207.277 -0.082 20 0 BBADLP Cn1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1=O ZINC000380980352 398216610 /nfs/dbraw/zinc/21/66/10/398216610.db2.gz AWQANFVLWWKGRG-JTQLQIEISA-N 2 2 207.277 -0.082 20 0 BBADLP Cn1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1=O ZINC000380980361 398215876 /nfs/dbraw/zinc/21/58/76/398215876.db2.gz AWQANFVLWWKGRG-SNVBAGLBSA-N 2 2 207.277 -0.082 20 0 BBADLP Cn1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1=O ZINC000380980361 398215875 /nfs/dbraw/zinc/21/58/75/398215875.db2.gz AWQANFVLWWKGRG-SNVBAGLBSA-N 2 2 207.277 -0.082 20 0 BBADLP CN(C)C(=O)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000380987775 367332665 /nfs/dbraw/zinc/33/26/65/367332665.db2.gz KFVPXTMTIFYRGH-JTQLQIEISA-N 2 2 229.324 -0.881 20 0 BBADLP CN(C)C(=O)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000380987775 367332660 /nfs/dbraw/zinc/33/26/60/367332660.db2.gz KFVPXTMTIFYRGH-JTQLQIEISA-N 2 2 229.324 -0.881 20 0 BBADLP CN(C)C(=O)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000380987776 367332109 /nfs/dbraw/zinc/33/21/09/367332109.db2.gz KFVPXTMTIFYRGH-SNVBAGLBSA-N 2 2 229.324 -0.881 20 0 BBADLP CN(C)C(=O)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000380987776 367332102 /nfs/dbraw/zinc/33/21/02/367332102.db2.gz KFVPXTMTIFYRGH-SNVBAGLBSA-N 2 2 229.324 -0.881 20 0 BBADLP [NH3+]C[C@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000381014505 710597003 /nfs/dbraw/zinc/59/70/03/710597003.db2.gz UGEKDTZHFUSXLI-NEPJUHHUSA-N 3 2 227.352 -0.276 20 0 BBADLP [NH3+]C[C@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000381014505 710596999 /nfs/dbraw/zinc/59/69/99/710596999.db2.gz UGEKDTZHFUSXLI-NEPJUHHUSA-N 3 2 227.352 -0.276 20 0 BBADLP [NH3+]C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000381014515 710597121 /nfs/dbraw/zinc/59/71/21/710597121.db2.gz UGEKDTZHFUSXLI-NWDGAFQWSA-N 3 2 227.352 -0.276 20 0 BBADLP [NH3+]C[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000381014515 710597119 /nfs/dbraw/zinc/59/71/19/710597119.db2.gz UGEKDTZHFUSXLI-NWDGAFQWSA-N 3 2 227.352 -0.276 20 0 BBADLP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000381014789 710597548 /nfs/dbraw/zinc/59/75/48/710597548.db2.gz UGEKDTZHFUSXLI-RYUDHWBXSA-N 3 2 227.352 -0.276 20 0 BBADLP [NH3+]C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000381014789 710597541 /nfs/dbraw/zinc/59/75/41/710597541.db2.gz UGEKDTZHFUSXLI-RYUDHWBXSA-N 3 2 227.352 -0.276 20 0 BBADLP [NH3+]C[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000381014794 710596755 /nfs/dbraw/zinc/59/67/55/710596755.db2.gz UGEKDTZHFUSXLI-VXGBXAGGSA-N 3 2 227.352 -0.276 20 0 BBADLP [NH3+]C[C@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000381014794 710596751 /nfs/dbraw/zinc/59/67/51/710596751.db2.gz UGEKDTZHFUSXLI-VXGBXAGGSA-N 3 2 227.352 -0.276 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CCO)CCOC ZINC000381036239 343829824 /nfs/dbraw/zinc/82/98/24/343829824.db2.gz FGXORXUJMYLKPY-LLVKDONJSA-N 2 2 234.340 -0.760 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+](CCO)CCOC ZINC000381036239 343829821 /nfs/dbraw/zinc/82/98/21/343829821.db2.gz FGXORXUJMYLKPY-LLVKDONJSA-N 2 2 234.340 -0.760 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+](CCO)CCOC ZINC000381036239 343829820 /nfs/dbraw/zinc/82/98/20/343829820.db2.gz FGXORXUJMYLKPY-LLVKDONJSA-N 2 2 234.340 -0.760 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+](CCO)CCOC ZINC000381036239 343829818 /nfs/dbraw/zinc/82/98/18/343829818.db2.gz FGXORXUJMYLKPY-LLVKDONJSA-N 2 2 234.340 -0.760 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+](CCO)CCOC ZINC000381036242 343829618 /nfs/dbraw/zinc/82/96/18/343829618.db2.gz FGXORXUJMYLKPY-NSHDSACASA-N 2 2 234.340 -0.760 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+](CCO)CCOC ZINC000381036242 343829616 /nfs/dbraw/zinc/82/96/16/343829616.db2.gz FGXORXUJMYLKPY-NSHDSACASA-N 2 2 234.340 -0.760 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+](CCO)CCOC ZINC000381036242 343829614 /nfs/dbraw/zinc/82/96/14/343829614.db2.gz FGXORXUJMYLKPY-NSHDSACASA-N 2 2 234.340 -0.760 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+](CCO)CCOC ZINC000381036242 343829613 /nfs/dbraw/zinc/82/96/13/343829613.db2.gz FGXORXUJMYLKPY-NSHDSACASA-N 2 2 234.340 -0.760 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCSCC1 ZINC000381046888 367342335 /nfs/dbraw/zinc/34/23/35/367342335.db2.gz HETHCRQICAHYBL-LLVKDONJSA-N 2 2 248.392 -0.026 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCSCC1 ZINC000381046888 367342330 /nfs/dbraw/zinc/34/23/30/367342330.db2.gz HETHCRQICAHYBL-LLVKDONJSA-N 2 2 248.392 -0.026 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCSCC1 ZINC000381046895 355731476 /nfs/dbraw/zinc/73/14/76/355731476.db2.gz HETHCRQICAHYBL-NSHDSACASA-N 2 2 248.392 -0.026 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCSCC1 ZINC000381046895 355731475 /nfs/dbraw/zinc/73/14/75/355731475.db2.gz HETHCRQICAHYBL-NSHDSACASA-N 2 2 248.392 -0.026 20 0 BBADLP CC[S@@](=O)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000381050360 710600037 /nfs/dbraw/zinc/60/00/37/710600037.db2.gz HTUWOVYWSRBUBE-BDJLRTHQSA-N 2 2 248.392 -0.200 20 0 BBADLP CC[S@@](=O)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000381050360 710600033 /nfs/dbraw/zinc/60/00/33/710600033.db2.gz HTUWOVYWSRBUBE-BDJLRTHQSA-N 2 2 248.392 -0.200 20 0 BBADLP CC[S@](=O)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000381050361 710600433 /nfs/dbraw/zinc/60/04/33/710600433.db2.gz HTUWOVYWSRBUBE-BZNIZROVSA-N 2 2 248.392 -0.200 20 0 BBADLP CC[S@](=O)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000381050361 710600430 /nfs/dbraw/zinc/60/04/30/710600430.db2.gz HTUWOVYWSRBUBE-BZNIZROVSA-N 2 2 248.392 -0.200 20 0 BBADLP CC[S@@](=O)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000381050363 710600087 /nfs/dbraw/zinc/60/00/87/710600087.db2.gz HTUWOVYWSRBUBE-MEDUHNTESA-N 2 2 248.392 -0.200 20 0 BBADLP CC[S@@](=O)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000381050363 710600086 /nfs/dbraw/zinc/60/00/86/710600086.db2.gz HTUWOVYWSRBUBE-MEDUHNTESA-N 2 2 248.392 -0.200 20 0 BBADLP CC[S@](=O)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000381050365 710600367 /nfs/dbraw/zinc/60/03/67/710600367.db2.gz HTUWOVYWSRBUBE-ZBEGNZNMSA-N 2 2 248.392 -0.200 20 0 BBADLP CC[S@](=O)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000381050365 710600364 /nfs/dbraw/zinc/60/03/64/710600364.db2.gz HTUWOVYWSRBUBE-ZBEGNZNMSA-N 2 2 248.392 -0.200 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@](C)(CC)C(N)=O ZINC000381064047 398097374 /nfs/dbraw/zinc/09/73/74/398097374.db2.gz MBTLVTBITHOVBC-GXSJLCMTSA-N 2 2 231.340 -0.457 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@](C)(CC)C(N)=O ZINC000381064047 398097366 /nfs/dbraw/zinc/09/73/66/398097366.db2.gz MBTLVTBITHOVBC-GXSJLCMTSA-N 2 2 231.340 -0.457 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@](C)(CC)C(N)=O ZINC000381064049 343924369 /nfs/dbraw/zinc/92/43/69/343924369.db2.gz MBTLVTBITHOVBC-KOLCDFICSA-N 2 2 231.340 -0.457 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@](C)(CC)C(N)=O ZINC000381064049 343924367 /nfs/dbraw/zinc/92/43/67/343924367.db2.gz MBTLVTBITHOVBC-KOLCDFICSA-N 2 2 231.340 -0.457 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@](C)(CC)C(N)=O ZINC000381064061 367345076 /nfs/dbraw/zinc/34/50/76/367345076.db2.gz MBTLVTBITHOVBC-MWLCHTKSSA-N 2 2 231.340 -0.457 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@](C)(CC)C(N)=O ZINC000381064061 367345069 /nfs/dbraw/zinc/34/50/69/367345069.db2.gz MBTLVTBITHOVBC-MWLCHTKSSA-N 2 2 231.340 -0.457 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@](C)(CC)C(N)=O ZINC000381064075 367345179 /nfs/dbraw/zinc/34/51/79/367345179.db2.gz MBTLVTBITHOVBC-ONGXEEELSA-N 2 2 231.340 -0.457 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@](C)(CC)C(N)=O ZINC000381064075 367345173 /nfs/dbraw/zinc/34/51/73/367345173.db2.gz MBTLVTBITHOVBC-ONGXEEELSA-N 2 2 231.340 -0.457 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@H](O)C(F)F)C1CC1 ZINC000381076456 343936699 /nfs/dbraw/zinc/93/66/99/343936699.db2.gz QFKCDALGWYEQIW-BDAKNGLRSA-N 2 2 238.278 -0.343 20 0 BBADLP C[N@H+](C[C@H](O)C[NH2+]C[C@H](O)C(F)F)C1CC1 ZINC000381076456 343936698 /nfs/dbraw/zinc/93/66/98/343936698.db2.gz QFKCDALGWYEQIW-BDAKNGLRSA-N 2 2 238.278 -0.343 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H](O)C(F)F)C1CC1 ZINC000381076458 343936686 /nfs/dbraw/zinc/93/66/86/343936686.db2.gz QFKCDALGWYEQIW-DTWKUNHWSA-N 2 2 238.278 -0.343 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H](O)C(F)F)C1CC1 ZINC000381076458 343936685 /nfs/dbraw/zinc/93/66/85/343936685.db2.gz QFKCDALGWYEQIW-DTWKUNHWSA-N 2 2 238.278 -0.343 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H](O)C(F)F)C1CC1 ZINC000381076462 367348778 /nfs/dbraw/zinc/34/87/78/367348778.db2.gz QFKCDALGWYEQIW-IUCAKERBSA-N 2 2 238.278 -0.343 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@H](O)C(F)F)C1CC1 ZINC000381076462 367348776 /nfs/dbraw/zinc/34/87/76/367348776.db2.gz QFKCDALGWYEQIW-IUCAKERBSA-N 2 2 238.278 -0.343 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](O)C(F)F)C1CC1 ZINC000381076463 367348347 /nfs/dbraw/zinc/34/83/47/367348347.db2.gz QFKCDALGWYEQIW-RKDXNWHRSA-N 2 2 238.278 -0.343 20 0 BBADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](O)C(F)F)C1CC1 ZINC000381076463 367348341 /nfs/dbraw/zinc/34/83/41/367348341.db2.gz QFKCDALGWYEQIW-RKDXNWHRSA-N 2 2 238.278 -0.343 20 0 BBADLP CN1CC[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000381088404 367350639 /nfs/dbraw/zinc/35/06/39/367350639.db2.gz ACIJJUPZUMXQKJ-AXFHLTTASA-N 2 2 223.320 -0.099 20 0 BBADLP CN1CC[C@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000381088404 367350634 /nfs/dbraw/zinc/35/06/34/367350634.db2.gz ACIJJUPZUMXQKJ-AXFHLTTASA-N 2 2 223.320 -0.099 20 0 BBADLP CN1CC[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000381088406 367350307 /nfs/dbraw/zinc/35/03/07/367350307.db2.gz ACIJJUPZUMXQKJ-DCAQKATOSA-N 2 2 223.320 -0.099 20 0 BBADLP CN1CC[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000381088406 367350303 /nfs/dbraw/zinc/35/03/03/367350303.db2.gz ACIJJUPZUMXQKJ-DCAQKATOSA-N 2 2 223.320 -0.099 20 0 BBADLP CN1CC[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000381088407 367350092 /nfs/dbraw/zinc/35/00/92/367350092.db2.gz ACIJJUPZUMXQKJ-MXWKQRLJSA-N 2 2 223.320 -0.099 20 0 BBADLP CN1CC[C@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000381088407 367350087 /nfs/dbraw/zinc/35/00/87/367350087.db2.gz ACIJJUPZUMXQKJ-MXWKQRLJSA-N 2 2 223.320 -0.099 20 0 BBADLP CN1CC[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000381088408 367349991 /nfs/dbraw/zinc/34/99/91/367349991.db2.gz ACIJJUPZUMXQKJ-VWYCJHECSA-N 2 2 223.320 -0.099 20 0 BBADLP CN1CC[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000381088408 367349988 /nfs/dbraw/zinc/34/99/88/367349988.db2.gz ACIJJUPZUMXQKJ-VWYCJHECSA-N 2 2 223.320 -0.099 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1nnnn1C ZINC000381257693 538997130 /nfs/dbraw/zinc/99/71/30/538997130.db2.gz RCXTVTBGZZTGCJ-BDAKNGLRSA-N 2 2 224.312 -0.708 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1nnnn1C ZINC000381257693 538997128 /nfs/dbraw/zinc/99/71/28/538997128.db2.gz RCXTVTBGZZTGCJ-BDAKNGLRSA-N 2 2 224.312 -0.708 20 0 BBADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1nnnn1C ZINC000381257694 538997408 /nfs/dbraw/zinc/99/74/08/538997408.db2.gz RCXTVTBGZZTGCJ-DTWKUNHWSA-N 2 2 224.312 -0.708 20 0 BBADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1nnnn1C ZINC000381257694 538997407 /nfs/dbraw/zinc/99/74/07/538997407.db2.gz RCXTVTBGZZTGCJ-DTWKUNHWSA-N 2 2 224.312 -0.708 20 0 BBADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1nnnn1C ZINC000381257695 538997431 /nfs/dbraw/zinc/99/74/31/538997431.db2.gz RCXTVTBGZZTGCJ-IUCAKERBSA-N 2 2 224.312 -0.708 20 0 BBADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1nnnn1C ZINC000381257695 538997430 /nfs/dbraw/zinc/99/74/30/538997430.db2.gz RCXTVTBGZZTGCJ-IUCAKERBSA-N 2 2 224.312 -0.708 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1nnnn1C ZINC000381257696 538997451 /nfs/dbraw/zinc/99/74/51/538997451.db2.gz RCXTVTBGZZTGCJ-RKDXNWHRSA-N 2 2 224.312 -0.708 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1nnnn1C ZINC000381257696 538997450 /nfs/dbraw/zinc/99/74/50/538997450.db2.gz RCXTVTBGZZTGCJ-RKDXNWHRSA-N 2 2 224.312 -0.708 20 0 BBADLP C[C@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000381431222 345869902 /nfs/dbraw/zinc/86/99/02/345869902.db2.gz BMSADFBOKSNELV-BDAKNGLRSA-N 2 2 215.297 -0.830 20 0 BBADLP C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000381431222 345869900 /nfs/dbraw/zinc/86/99/00/345869900.db2.gz BMSADFBOKSNELV-BDAKNGLRSA-N 2 2 215.297 -0.830 20 0 BBADLP C[C@@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000381431224 345869963 /nfs/dbraw/zinc/86/99/63/345869963.db2.gz BMSADFBOKSNELV-DTWKUNHWSA-N 2 2 215.297 -0.830 20 0 BBADLP C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000381431224 345869961 /nfs/dbraw/zinc/86/99/61/345869961.db2.gz BMSADFBOKSNELV-DTWKUNHWSA-N 2 2 215.297 -0.830 20 0 BBADLP C[C@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000381431226 345869940 /nfs/dbraw/zinc/86/99/40/345869940.db2.gz BMSADFBOKSNELV-IUCAKERBSA-N 2 2 215.297 -0.830 20 0 BBADLP C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000381431226 345869938 /nfs/dbraw/zinc/86/99/38/345869938.db2.gz BMSADFBOKSNELV-IUCAKERBSA-N 2 2 215.297 -0.830 20 0 BBADLP C[C@@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000381431227 345869910 /nfs/dbraw/zinc/86/99/10/345869910.db2.gz BMSADFBOKSNELV-RKDXNWHRSA-N 2 2 215.297 -0.830 20 0 BBADLP C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000381431227 345869908 /nfs/dbraw/zinc/86/99/08/345869908.db2.gz BMSADFBOKSNELV-RKDXNWHRSA-N 2 2 215.297 -0.830 20 0 BBADLP C[NH+]1CCN(C(=O)C[NH2+]CC2(F)CC2)CC1 ZINC000381432703 539000578 /nfs/dbraw/zinc/00/05/78/539000578.db2.gz BWWWOODNFOBEFW-UHFFFAOYSA-N 2 2 229.299 -0.148 20 0 BBADLP CCOCCNC(=O)C[N@@H+](C)CCC[NH3+] ZINC000381442080 398253504 /nfs/dbraw/zinc/25/35/04/398253504.db2.gz ZQEVWUFHDLEJMI-UHFFFAOYSA-N 2 2 217.313 -0.580 20 0 BBADLP CCOCCNC(=O)C[N@H+](C)CCC[NH3+] ZINC000381442080 398253501 /nfs/dbraw/zinc/25/35/01/398253501.db2.gz ZQEVWUFHDLEJMI-UHFFFAOYSA-N 2 2 217.313 -0.580 20 0 BBADLP [NH3+]CCCCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000381473389 346017732 /nfs/dbraw/zinc/01/77/32/346017732.db2.gz NKAOTEHOYDFPPM-SSDOTTSWSA-N 2 2 221.251 -0.161 20 0 BBADLP [NH3+]CCCCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000381473391 346017681 /nfs/dbraw/zinc/01/76/81/346017681.db2.gz NKAOTEHOYDFPPM-ZETCQYMHSA-N 2 2 221.251 -0.161 20 0 BBADLP O[C@H](C[NH2+]Cc1cn[nH]c1)C[NH+]1CCCC1 ZINC000381487861 374125296 /nfs/dbraw/zinc/12/52/96/374125296.db2.gz KKTHMSOZLOQDJJ-LLVKDONJSA-N 2 2 224.308 -0.044 20 0 BBADLP O[C@@H](C[NH2+]Cc1cn[nH]c1)C[NH+]1CCCC1 ZINC000381487863 374125243 /nfs/dbraw/zinc/12/52/43/374125243.db2.gz KKTHMSOZLOQDJJ-NSHDSACASA-N 2 2 224.308 -0.044 20 0 BBADLP [NH3+]CCOCC[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000381531002 344518078 /nfs/dbraw/zinc/51/80/78/344518078.db2.gz ZBCAOFKDIASJJO-LLVKDONJSA-N 3 2 213.325 -0.212 20 0 BBADLP [NH3+]CCOCC[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000381531002 344518076 /nfs/dbraw/zinc/51/80/76/344518076.db2.gz ZBCAOFKDIASJJO-LLVKDONJSA-N 3 2 213.325 -0.212 20 0 BBADLP [NH3+]CCOCC[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000381531003 344518116 /nfs/dbraw/zinc/51/81/16/344518116.db2.gz ZBCAOFKDIASJJO-NSHDSACASA-N 3 2 213.325 -0.212 20 0 BBADLP [NH3+]CCOCC[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000381531003 344518114 /nfs/dbraw/zinc/51/81/14/344518114.db2.gz ZBCAOFKDIASJJO-NSHDSACASA-N 3 2 213.325 -0.212 20 0 BBADLP Nc1cc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)cc[nH+]1 ZINC000381571795 539004324 /nfs/dbraw/zinc/00/43/24/539004324.db2.gz WEXHMXGPIBRKNL-AOOOYVTPSA-N 2 2 223.276 -0.578 20 0 BBADLP Nc1cc(C[N@H+]2C[C@H](O)C[C@H](O)C2)cc[nH+]1 ZINC000381571795 539004322 /nfs/dbraw/zinc/00/43/22/539004322.db2.gz WEXHMXGPIBRKNL-AOOOYVTPSA-N 2 2 223.276 -0.578 20 0 BBADLP O=C(NCc1c[nH]c[nH+]1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000381606390 398254184 /nfs/dbraw/zinc/25/41/84/398254184.db2.gz QBHKMKKPYOEUTA-BRPSZJMVSA-N 2 2 206.249 -0.509 20 0 BBADLP O=C(NCc1c[nH+]c[nH]1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000381606390 398254182 /nfs/dbraw/zinc/25/41/82/398254182.db2.gz QBHKMKKPYOEUTA-BRPSZJMVSA-N 2 2 206.249 -0.509 20 0 BBADLP C[N@@H+](CCO)C[C@H](O)C[NH+]1CCCC1 ZINC000381628309 710663860 /nfs/dbraw/zinc/66/38/60/710663860.db2.gz IBOBXWHTKVYWMD-JTQLQIEISA-N 2 2 202.298 -0.633 20 0 BBADLP C[N@H+](CCO)C[C@H](O)C[NH+]1CCCC1 ZINC000381628309 710663856 /nfs/dbraw/zinc/66/38/56/710663856.db2.gz IBOBXWHTKVYWMD-JTQLQIEISA-N 2 2 202.298 -0.633 20 0 BBADLP C[N@@H+](CCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000381628310 710664491 /nfs/dbraw/zinc/66/44/91/710664491.db2.gz IBOBXWHTKVYWMD-SNVBAGLBSA-N 2 2 202.298 -0.633 20 0 BBADLP C[N@H+](CCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000381628310 710664488 /nfs/dbraw/zinc/66/44/88/710664488.db2.gz IBOBXWHTKVYWMD-SNVBAGLBSA-N 2 2 202.298 -0.633 20 0 BBADLP CO[C@H](C[NH3+])C(=O)Nc1ccc(N)[nH+]c1 ZINC000381735329 411898474 /nfs/dbraw/zinc/89/84/74/411898474.db2.gz OFMAOURGKUFTNY-SSDOTTSWSA-N 2 2 210.237 -0.424 20 0 BBADLP CO[C@@H](C[NH3+])C(=O)Nc1ccc(N)[nH+]c1 ZINC000381735336 411895489 /nfs/dbraw/zinc/89/54/89/411895489.db2.gz OFMAOURGKUFTNY-ZETCQYMHSA-N 2 2 210.237 -0.424 20 0 BBADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCNS(C)(=O)=O ZINC000381737906 367453080 /nfs/dbraw/zinc/45/30/80/367453080.db2.gz ONRYVGSFCMXEOM-BDAKNGLRSA-N 2 2 235.353 -0.653 20 0 BBADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCNS(C)(=O)=O ZINC000381737906 367453076 /nfs/dbraw/zinc/45/30/76/367453076.db2.gz ONRYVGSFCMXEOM-BDAKNGLRSA-N 2 2 235.353 -0.653 20 0 BBADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCNS(C)(=O)=O ZINC000381737908 346779061 /nfs/dbraw/zinc/77/90/61/346779061.db2.gz ONRYVGSFCMXEOM-DTWKUNHWSA-N 2 2 235.353 -0.653 20 0 BBADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCNS(C)(=O)=O ZINC000381737908 346779057 /nfs/dbraw/zinc/77/90/57/346779057.db2.gz ONRYVGSFCMXEOM-DTWKUNHWSA-N 2 2 235.353 -0.653 20 0 BBADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCNS(C)(=O)=O ZINC000381737916 367452973 /nfs/dbraw/zinc/45/29/73/367452973.db2.gz ONRYVGSFCMXEOM-IUCAKERBSA-N 2 2 235.353 -0.653 20 0 BBADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCNS(C)(=O)=O ZINC000381737916 367452966 /nfs/dbraw/zinc/45/29/66/367452966.db2.gz ONRYVGSFCMXEOM-IUCAKERBSA-N 2 2 235.353 -0.653 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCNS(C)(=O)=O ZINC000381737918 367453144 /nfs/dbraw/zinc/45/31/44/367453144.db2.gz ONRYVGSFCMXEOM-RKDXNWHRSA-N 2 2 235.353 -0.653 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCNS(C)(=O)=O ZINC000381737918 367453141 /nfs/dbraw/zinc/45/31/41/367453141.db2.gz ONRYVGSFCMXEOM-RKDXNWHRSA-N 2 2 235.353 -0.653 20 0 BBADLP COC[C@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000381867660 398280407 /nfs/dbraw/zinc/28/04/07/398280407.db2.gz XRUKJBJLMYFWLZ-GHMZBOCLSA-N 2 2 214.309 -0.057 20 0 BBADLP COC[C@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000381867660 398280405 /nfs/dbraw/zinc/28/04/05/398280405.db2.gz XRUKJBJLMYFWLZ-GHMZBOCLSA-N 2 2 214.309 -0.057 20 0 BBADLP COC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000381867664 398280671 /nfs/dbraw/zinc/28/06/71/398280671.db2.gz XRUKJBJLMYFWLZ-MNOVXSKESA-N 2 2 214.309 -0.057 20 0 BBADLP COC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000381867664 398280670 /nfs/dbraw/zinc/28/06/70/398280670.db2.gz XRUKJBJLMYFWLZ-MNOVXSKESA-N 2 2 214.309 -0.057 20 0 BBADLP COC[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000381867672 398280618 /nfs/dbraw/zinc/28/06/18/398280618.db2.gz XRUKJBJLMYFWLZ-QWRGUYRKSA-N 2 2 214.309 -0.057 20 0 BBADLP COC[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000381867672 398280614 /nfs/dbraw/zinc/28/06/14/398280614.db2.gz XRUKJBJLMYFWLZ-QWRGUYRKSA-N 2 2 214.309 -0.057 20 0 BBADLP COC[C@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000381867673 398255415 /nfs/dbraw/zinc/25/54/15/398255415.db2.gz XRUKJBJLMYFWLZ-WDEREUQCSA-N 2 2 214.309 -0.057 20 0 BBADLP COC[C@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000381867673 398255413 /nfs/dbraw/zinc/25/54/13/398255413.db2.gz XRUKJBJLMYFWLZ-WDEREUQCSA-N 2 2 214.309 -0.057 20 0 BBADLP COCC[N@H+]1CC[C@@H]([NH2+]CCC(N)=O)C1 ZINC000381980295 367475622 /nfs/dbraw/zinc/47/56/22/367475622.db2.gz FBZZVHYAOXWTNB-SECBINFHSA-N 2 2 215.297 -0.828 20 0 BBADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCC(N)=O)C1 ZINC000381980295 367475620 /nfs/dbraw/zinc/47/56/20/367475620.db2.gz FBZZVHYAOXWTNB-SECBINFHSA-N 2 2 215.297 -0.828 20 0 BBADLP COCC[N@H+]1CC[C@H]([NH2+]CCC(N)=O)C1 ZINC000381980300 367475599 /nfs/dbraw/zinc/47/55/99/367475599.db2.gz FBZZVHYAOXWTNB-VIFPVBQESA-N 2 2 215.297 -0.828 20 0 BBADLP COCC[N@@H+]1CC[C@H]([NH2+]CCC(N)=O)C1 ZINC000381980300 367475595 /nfs/dbraw/zinc/47/55/95/367475595.db2.gz FBZZVHYAOXWTNB-VIFPVBQESA-N 2 2 215.297 -0.828 20 0 BBADLP Cc1nc(N2CC([NH+](C)C)C2)nc(N)[nH+]1 ZINC000382123632 398306671 /nfs/dbraw/zinc/30/66/71/398306671.db2.gz BVKYWEVDTFSNHM-UHFFFAOYSA-N 2 2 208.269 -0.657 20 0 BBADLP COc1c(N)[nH+]cnc1N1CC([NH+](C)C)C1 ZINC000382352266 367511246 /nfs/dbraw/zinc/51/12/46/367511246.db2.gz QKOCZAMUPCXRAA-UHFFFAOYSA-N 2 2 223.280 -0.182 20 0 BBADLP C[NH2+]CCSCC(=O)N1CC[NH+](C)CC1 ZINC000382646636 367549223 /nfs/dbraw/zinc/54/92/23/367549223.db2.gz MLAIPYBSYXNAQW-UHFFFAOYSA-N 2 2 231.365 -0.287 20 0 BBADLP C[N@H+](CC(=O)N1CCOCC1)C[C@@H]1CC[NH2+]C1 ZINC000382755492 397972534 /nfs/dbraw/zinc/97/25/34/397972534.db2.gz MYVPYSQMNQUMJK-LLVKDONJSA-N 2 2 241.335 -0.614 20 0 BBADLP C[N@@H+](CC(=O)N1CCOCC1)C[C@@H]1CC[NH2+]C1 ZINC000382755492 397972531 /nfs/dbraw/zinc/97/25/31/397972531.db2.gz MYVPYSQMNQUMJK-LLVKDONJSA-N 2 2 241.335 -0.614 20 0 BBADLP C[N@H+](CC(=O)N1CCOCC1)C[C@H]1CC[NH2+]C1 ZINC000382755493 397972311 /nfs/dbraw/zinc/97/23/11/397972311.db2.gz MYVPYSQMNQUMJK-NSHDSACASA-N 2 2 241.335 -0.614 20 0 BBADLP C[N@@H+](CC(=O)N1CCOCC1)C[C@H]1CC[NH2+]C1 ZINC000382755493 397972306 /nfs/dbraw/zinc/97/23/06/397972306.db2.gz MYVPYSQMNQUMJK-NSHDSACASA-N 2 2 241.335 -0.614 20 0 BBADLP COCCCNC(=O)C[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000382759043 397971871 /nfs/dbraw/zinc/97/18/71/397971871.db2.gz VUDTYIUYEVPADF-LLVKDONJSA-N 2 2 243.351 -0.320 20 0 BBADLP COCCCNC(=O)C[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000382759043 397971866 /nfs/dbraw/zinc/97/18/66/397971866.db2.gz VUDTYIUYEVPADF-LLVKDONJSA-N 2 2 243.351 -0.320 20 0 BBADLP COCCCNC(=O)C[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000382759044 397972187 /nfs/dbraw/zinc/97/21/87/397972187.db2.gz VUDTYIUYEVPADF-NSHDSACASA-N 2 2 243.351 -0.320 20 0 BBADLP COCCCNC(=O)C[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000382759044 397972183 /nfs/dbraw/zinc/97/21/83/397972183.db2.gz VUDTYIUYEVPADF-NSHDSACASA-N 2 2 243.351 -0.320 20 0 BBADLP COCCOC[C@H](O)C[N@@H+](C)[C@H](C)C[NH3+] ZINC000382974304 710976165 /nfs/dbraw/zinc/97/61/65/710976165.db2.gz IULNPIGKPNPYDQ-NXEZZACHSA-N 2 2 220.313 -0.711 20 0 BBADLP COCCOC[C@H](O)C[N@H+](C)[C@H](C)C[NH3+] ZINC000382974304 710976162 /nfs/dbraw/zinc/97/61/62/710976162.db2.gz IULNPIGKPNPYDQ-NXEZZACHSA-N 2 2 220.313 -0.711 20 0 BBADLP COCCOC[C@@H](O)C[N@@H+](C)[C@@H](C)C[NH3+] ZINC000382974305 710975947 /nfs/dbraw/zinc/97/59/47/710975947.db2.gz IULNPIGKPNPYDQ-UWVGGRQHSA-N 2 2 220.313 -0.711 20 0 BBADLP COCCOC[C@@H](O)C[N@H+](C)[C@@H](C)C[NH3+] ZINC000382974305 710975946 /nfs/dbraw/zinc/97/59/46/710975946.db2.gz IULNPIGKPNPYDQ-UWVGGRQHSA-N 2 2 220.313 -0.711 20 0 BBADLP COCCOC[C@H](O)C[N@@H+](C)[C@@H](C)C[NH3+] ZINC000382974306 710976008 /nfs/dbraw/zinc/97/60/08/710976008.db2.gz IULNPIGKPNPYDQ-VHSXEESVSA-N 2 2 220.313 -0.711 20 0 BBADLP COCCOC[C@H](O)C[N@H+](C)[C@@H](C)C[NH3+] ZINC000382974306 710976007 /nfs/dbraw/zinc/97/60/07/710976007.db2.gz IULNPIGKPNPYDQ-VHSXEESVSA-N 2 2 220.313 -0.711 20 0 BBADLP COCCOC[C@@H](O)C[N@@H+](C)[C@H](C)C[NH3+] ZINC000382974686 710976152 /nfs/dbraw/zinc/97/61/52/710976152.db2.gz IULNPIGKPNPYDQ-ZJUUUORDSA-N 2 2 220.313 -0.711 20 0 BBADLP COCCOC[C@@H](O)C[N@H+](C)[C@H](C)C[NH3+] ZINC000382974686 710976148 /nfs/dbraw/zinc/97/61/48/710976148.db2.gz IULNPIGKPNPYDQ-ZJUUUORDSA-N 2 2 220.313 -0.711 20 0 BBADLP COC[C@H](C)OC[C@@H](O)C[N@@H+](C)[C@@H](C)C[NH3+] ZINC000382983267 711878846 /nfs/dbraw/zinc/87/88/46/711878846.db2.gz YXEWYFRJPUMQEH-DCAQKATOSA-N 2 2 234.340 -0.322 20 0 BBADLP COC[C@H](C)OC[C@@H](O)C[N@H+](C)[C@@H](C)C[NH3+] ZINC000382983267 711878845 /nfs/dbraw/zinc/87/88/45/711878845.db2.gz YXEWYFRJPUMQEH-DCAQKATOSA-N 2 2 234.340 -0.322 20 0 BBADLP COC[C@H](C)OC[C@H](O)C[N@@H+](C)[C@@H](C)C[NH3+] ZINC000382983268 711878754 /nfs/dbraw/zinc/87/87/54/711878754.db2.gz YXEWYFRJPUMQEH-GARJFASQSA-N 2 2 234.340 -0.322 20 0 BBADLP COC[C@H](C)OC[C@H](O)C[N@H+](C)[C@@H](C)C[NH3+] ZINC000382983268 711878753 /nfs/dbraw/zinc/87/87/53/711878753.db2.gz YXEWYFRJPUMQEH-GARJFASQSA-N 2 2 234.340 -0.322 20 0 BBADLP COC[C@H](C)OC[C@H](O)C[N@@H+](C)[C@H](C)C[NH3+] ZINC000382983269 711878814 /nfs/dbraw/zinc/87/88/14/711878814.db2.gz YXEWYFRJPUMQEH-OUAUKWLOSA-N 2 2 234.340 -0.322 20 0 BBADLP COC[C@H](C)OC[C@H](O)C[N@H+](C)[C@H](C)C[NH3+] ZINC000382983269 711878813 /nfs/dbraw/zinc/87/88/13/711878813.db2.gz YXEWYFRJPUMQEH-OUAUKWLOSA-N 2 2 234.340 -0.322 20 0 BBADLP COC[C@H](C)OC[C@@H](O)C[N@@H+](C)[C@H](C)C[NH3+] ZINC000382983270 711878838 /nfs/dbraw/zinc/87/88/38/711878838.db2.gz YXEWYFRJPUMQEH-VWYCJHECSA-N 2 2 234.340 -0.322 20 0 BBADLP COC[C@H](C)OC[C@@H](O)C[N@H+](C)[C@H](C)C[NH3+] ZINC000382983270 711878837 /nfs/dbraw/zinc/87/88/37/711878837.db2.gz YXEWYFRJPUMQEH-VWYCJHECSA-N 2 2 234.340 -0.322 20 0 BBADLP C[C@H]([NH2+]C1CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000382986133 351121289 /nfs/dbraw/zinc/12/12/89/351121289.db2.gz WBDYTKHIKKBAMQ-JTQLQIEISA-N 2 2 241.335 -0.425 20 0 BBADLP C[C@@H]([NH2+]C1CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000382986134 351121140 /nfs/dbraw/zinc/12/11/40/351121140.db2.gz WBDYTKHIKKBAMQ-SNVBAGLBSA-N 2 2 241.335 -0.425 20 0 BBADLP C[C@H]([NH2+]C1CC1)C(=O)N1CC[NH+](CCO)CC1 ZINC000382993662 367583179 /nfs/dbraw/zinc/58/31/79/367583179.db2.gz ZGTFUIUORKJHEA-JTQLQIEISA-N 2 2 241.335 -0.737 20 0 BBADLP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[NH+](CCO)CC1 ZINC000382993663 367582798 /nfs/dbraw/zinc/58/27/98/367582798.db2.gz ZGTFUIUORKJHEA-SNVBAGLBSA-N 2 2 241.335 -0.737 20 0 BBADLP COCC[N@@H+](CCO)C[C@H](O)C[NH+]1CCCC1 ZINC000382998072 710976749 /nfs/dbraw/zinc/97/67/49/710976749.db2.gz SAMBLUDKQXIAEF-GFCCVEGCSA-N 2 2 246.351 -0.616 20 0 BBADLP COCC[N@H+](CCO)C[C@H](O)C[NH+]1CCCC1 ZINC000382998072 710976745 /nfs/dbraw/zinc/97/67/45/710976745.db2.gz SAMBLUDKQXIAEF-GFCCVEGCSA-N 2 2 246.351 -0.616 20 0 BBADLP COCC[N@@H+](CCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000382998074 710976293 /nfs/dbraw/zinc/97/62/93/710976293.db2.gz SAMBLUDKQXIAEF-LBPRGKRZSA-N 2 2 246.351 -0.616 20 0 BBADLP COCC[N@H+](CCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000382998074 710976289 /nfs/dbraw/zinc/97/62/89/710976289.db2.gz SAMBLUDKQXIAEF-LBPRGKRZSA-N 2 2 246.351 -0.616 20 0 BBADLP C[C@H](C[NH3+])[N@@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000383002124 367583962 /nfs/dbraw/zinc/58/39/62/367583962.db2.gz VSRYHWAHNZVTDM-MRVPVSSYSA-N 2 2 242.323 -0.404 20 0 BBADLP C[C@H](C[NH3+])[N@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000383002124 367583960 /nfs/dbraw/zinc/58/39/60/367583960.db2.gz VSRYHWAHNZVTDM-MRVPVSSYSA-N 2 2 242.323 -0.404 20 0 BBADLP C[C@@H](C[NH3+])[N@@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000383002131 367583850 /nfs/dbraw/zinc/58/38/50/367583850.db2.gz VSRYHWAHNZVTDM-QMMMGPOBSA-N 2 2 242.323 -0.404 20 0 BBADLP C[C@@H](C[NH3+])[N@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000383002131 367583840 /nfs/dbraw/zinc/58/38/40/367583840.db2.gz VSRYHWAHNZVTDM-QMMMGPOBSA-N 2 2 242.323 -0.404 20 0 BBADLP CC[C@H](CO)[NH+](C)C[C@@H](O)C[N@@H+](C)CCOC ZINC000383090283 367595336 /nfs/dbraw/zinc/59/53/36/367595336.db2.gz LENBLJMCEAJGIS-NEPJUHHUSA-N 2 2 248.367 -0.372 20 0 BBADLP CC[C@H](CO)[NH+](C)C[C@@H](O)C[N@H+](C)CCOC ZINC000383090283 367595329 /nfs/dbraw/zinc/59/53/29/367595329.db2.gz LENBLJMCEAJGIS-NEPJUHHUSA-N 2 2 248.367 -0.372 20 0 BBADLP CC[C@H](CO)[N@@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000383090283 367595323 /nfs/dbraw/zinc/59/53/23/367595323.db2.gz LENBLJMCEAJGIS-NEPJUHHUSA-N 2 2 248.367 -0.372 20 0 BBADLP CC[C@H](CO)[N@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000383090283 367595318 /nfs/dbraw/zinc/59/53/18/367595318.db2.gz LENBLJMCEAJGIS-NEPJUHHUSA-N 2 2 248.367 -0.372 20 0 BBADLP CC[C@@H](CO)[NH+](C)C[C@H](O)C[N@@H+](C)CCOC ZINC000383090285 367594816 /nfs/dbraw/zinc/59/48/16/367594816.db2.gz LENBLJMCEAJGIS-NWDGAFQWSA-N 2 2 248.367 -0.372 20 0 BBADLP CC[C@@H](CO)[NH+](C)C[C@H](O)C[N@H+](C)CCOC ZINC000383090285 367594811 /nfs/dbraw/zinc/59/48/11/367594811.db2.gz LENBLJMCEAJGIS-NWDGAFQWSA-N 2 2 248.367 -0.372 20 0 BBADLP CC[C@@H](CO)[N@@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000383090285 367594806 /nfs/dbraw/zinc/59/48/06/367594806.db2.gz LENBLJMCEAJGIS-NWDGAFQWSA-N 2 2 248.367 -0.372 20 0 BBADLP CC[C@@H](CO)[N@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000383090285 367594800 /nfs/dbraw/zinc/59/48/00/367594800.db2.gz LENBLJMCEAJGIS-NWDGAFQWSA-N 2 2 248.367 -0.372 20 0 BBADLP CC[C@@H](CO)[NH+](C)C[C@@H](O)C[N@@H+](C)CCOC ZINC000383090290 367594666 /nfs/dbraw/zinc/59/46/66/367594666.db2.gz LENBLJMCEAJGIS-RYUDHWBXSA-N 2 2 248.367 -0.372 20 0 BBADLP CC[C@@H](CO)[NH+](C)C[C@@H](O)C[N@H+](C)CCOC ZINC000383090290 367594660 /nfs/dbraw/zinc/59/46/60/367594660.db2.gz LENBLJMCEAJGIS-RYUDHWBXSA-N 2 2 248.367 -0.372 20 0 BBADLP CC[C@@H](CO)[N@@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000383090290 367594655 /nfs/dbraw/zinc/59/46/55/367594655.db2.gz LENBLJMCEAJGIS-RYUDHWBXSA-N 2 2 248.367 -0.372 20 0 BBADLP CC[C@@H](CO)[N@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000383090290 367594650 /nfs/dbraw/zinc/59/46/50/367594650.db2.gz LENBLJMCEAJGIS-RYUDHWBXSA-N 2 2 248.367 -0.372 20 0 BBADLP CC[C@H](CO)[NH+](C)C[C@H](O)C[N@@H+](C)CCOC ZINC000383090433 347690700 /nfs/dbraw/zinc/69/07/00/347690700.db2.gz LENBLJMCEAJGIS-VXGBXAGGSA-N 2 2 248.367 -0.372 20 0 BBADLP CC[C@H](CO)[NH+](C)C[C@H](O)C[N@H+](C)CCOC ZINC000383090433 347690698 /nfs/dbraw/zinc/69/06/98/347690698.db2.gz LENBLJMCEAJGIS-VXGBXAGGSA-N 2 2 248.367 -0.372 20 0 BBADLP CC[C@H](CO)[N@@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000383090433 347690695 /nfs/dbraw/zinc/69/06/95/347690695.db2.gz LENBLJMCEAJGIS-VXGBXAGGSA-N 2 2 248.367 -0.372 20 0 BBADLP CC[C@H](CO)[N@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000383090433 347690692 /nfs/dbraw/zinc/69/06/92/347690692.db2.gz LENBLJMCEAJGIS-VXGBXAGGSA-N 2 2 248.367 -0.372 20 0 BBADLP CN1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1=O ZINC000383153866 711730388 /nfs/dbraw/zinc/73/03/88/711730388.db2.gz KGIYSXQPIAAUDU-MMUIYFKMSA-N 2 2 235.331 -0.197 20 0 BBADLP CN1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1=O ZINC000383153870 711730361 /nfs/dbraw/zinc/73/03/61/711730361.db2.gz KGIYSXQPIAAUDU-TZSFNEBQSA-N 2 2 235.331 -0.197 20 0 BBADLP CN1C[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1=O ZINC000383153872 711730393 /nfs/dbraw/zinc/73/03/93/711730393.db2.gz KGIYSXQPIAAUDU-UFZHFSBNSA-N 2 2 235.331 -0.197 20 0 BBADLP O=C1NCCC[C@@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000383209151 710979342 /nfs/dbraw/zinc/97/93/42/710979342.db2.gz XGOWEWWBVVEYRL-DCHHYWPUSA-N 2 2 235.331 -0.149 20 0 BBADLP O=C1NCCC[C@@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000383209152 711471495 /nfs/dbraw/zinc/47/14/95/711471495.db2.gz XGOWEWWBVVEYRL-KTWSDMTRSA-N 2 2 235.331 -0.149 20 0 BBADLP O=C1NCCC[C@@H]1[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000383209153 711471308 /nfs/dbraw/zinc/47/13/08/711471308.db2.gz XGOWEWWBVVEYRL-KUYXLPFXSA-N 2 2 235.331 -0.149 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](O)C1 ZINC000383491591 398022494 /nfs/dbraw/zinc/02/24/94/398022494.db2.gz AYLXJLPWJYXUJE-NEPJUHHUSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](O)C1 ZINC000383491591 398022489 /nfs/dbraw/zinc/02/24/89/398022489.db2.gz AYLXJLPWJYXUJE-NEPJUHHUSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](O)C1 ZINC000383491591 398022488 /nfs/dbraw/zinc/02/24/88/398022488.db2.gz AYLXJLPWJYXUJE-NEPJUHHUSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](O)C1 ZINC000383491600 398257997 /nfs/dbraw/zinc/25/79/97/398257997.db2.gz AYLXJLPWJYXUJE-VXGBXAGGSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000383491600 398257995 /nfs/dbraw/zinc/25/79/95/398257995.db2.gz AYLXJLPWJYXUJE-VXGBXAGGSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](O)C1 ZINC000383491600 398257993 /nfs/dbraw/zinc/25/79/93/398257993.db2.gz AYLXJLPWJYXUJE-VXGBXAGGSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](O)C1 ZINC000383491600 398257991 /nfs/dbraw/zinc/25/79/91/398257991.db2.gz AYLXJLPWJYXUJE-VXGBXAGGSA-N 2 2 246.351 -0.618 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000383570807 367641062 /nfs/dbraw/zinc/64/10/62/367641062.db2.gz JYUADYAOEZGCQH-GFCCVEGCSA-N 3 2 238.335 -0.072 20 0 BBADLP C[N@H+](C[C@H](O)C[NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000383570807 367641059 /nfs/dbraw/zinc/64/10/59/367641059.db2.gz JYUADYAOEZGCQH-GFCCVEGCSA-N 3 2 238.335 -0.072 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000383570808 367640866 /nfs/dbraw/zinc/64/08/66/367640866.db2.gz JYUADYAOEZGCQH-LBPRGKRZSA-N 3 2 238.335 -0.072 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000383570808 367640863 /nfs/dbraw/zinc/64/08/63/367640863.db2.gz JYUADYAOEZGCQH-LBPRGKRZSA-N 3 2 238.335 -0.072 20 0 BBADLP CCN(C)C(=O)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000383579567 367641193 /nfs/dbraw/zinc/64/11/93/367641193.db2.gz LPRQPIKJMBPMSX-LLVKDONJSA-N 2 2 243.351 -0.491 20 0 BBADLP CCN(C)C(=O)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000383579567 367641189 /nfs/dbraw/zinc/64/11/89/367641189.db2.gz LPRQPIKJMBPMSX-LLVKDONJSA-N 2 2 243.351 -0.491 20 0 BBADLP CCN(C)C(=O)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000383579568 367640800 /nfs/dbraw/zinc/64/08/00/367640800.db2.gz LPRQPIKJMBPMSX-NSHDSACASA-N 2 2 243.351 -0.491 20 0 BBADLP CCN(C)C(=O)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000383579568 367640796 /nfs/dbraw/zinc/64/07/96/367640796.db2.gz LPRQPIKJMBPMSX-NSHDSACASA-N 2 2 243.351 -0.491 20 0 BBADLP COCC[NH+](CCO)C[C@H](O)C[N@@H+](C)C(C)C ZINC000383597587 487937362 /nfs/dbraw/zinc/93/73/62/487937362.db2.gz PLKFVJBAHLPGFJ-GFCCVEGCSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[NH+](CCO)C[C@H](O)C[N@H+](C)C(C)C ZINC000383597587 487937357 /nfs/dbraw/zinc/93/73/57/487937357.db2.gz PLKFVJBAHLPGFJ-GFCCVEGCSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[N@@H+](CCO)C[C@H](O)C[NH+](C)C(C)C ZINC000383597587 487937356 /nfs/dbraw/zinc/93/73/56/487937356.db2.gz PLKFVJBAHLPGFJ-GFCCVEGCSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[N@H+](CCO)C[C@H](O)C[NH+](C)C(C)C ZINC000383597587 487937353 /nfs/dbraw/zinc/93/73/53/487937353.db2.gz PLKFVJBAHLPGFJ-GFCCVEGCSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[NH+](CCO)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000383597589 487643236 /nfs/dbraw/zinc/64/32/36/487643236.db2.gz PLKFVJBAHLPGFJ-LBPRGKRZSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[NH+](CCO)C[C@@H](O)C[N@H+](C)C(C)C ZINC000383597589 487643231 /nfs/dbraw/zinc/64/32/31/487643231.db2.gz PLKFVJBAHLPGFJ-LBPRGKRZSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[N@@H+](CCO)C[C@@H](O)C[NH+](C)C(C)C ZINC000383597589 487643229 /nfs/dbraw/zinc/64/32/29/487643229.db2.gz PLKFVJBAHLPGFJ-LBPRGKRZSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[N@H+](CCO)C[C@@H](O)C[NH+](C)C(C)C ZINC000383597589 487643224 /nfs/dbraw/zinc/64/32/24/487643224.db2.gz PLKFVJBAHLPGFJ-LBPRGKRZSA-N 2 2 248.367 -0.372 20 0 BBADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(=O)N(C)C ZINC000383602391 398031066 /nfs/dbraw/zinc/03/10/66/398031066.db2.gz QNWNXAYRQNVPAQ-GXSJLCMTSA-N 2 2 243.351 -0.492 20 0 BBADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(=O)N(C)C ZINC000383602391 398031062 /nfs/dbraw/zinc/03/10/62/398031062.db2.gz QNWNXAYRQNVPAQ-GXSJLCMTSA-N 2 2 243.351 -0.492 20 0 BBADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(=O)N(C)C ZINC000383602392 367642622 /nfs/dbraw/zinc/64/26/22/367642622.db2.gz QNWNXAYRQNVPAQ-KOLCDFICSA-N 2 2 243.351 -0.492 20 0 BBADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(=O)N(C)C ZINC000383602392 367642615 /nfs/dbraw/zinc/64/26/15/367642615.db2.gz QNWNXAYRQNVPAQ-KOLCDFICSA-N 2 2 243.351 -0.492 20 0 BBADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(=O)N(C)C ZINC000383602393 398303938 /nfs/dbraw/zinc/30/39/38/398303938.db2.gz QNWNXAYRQNVPAQ-MWLCHTKSSA-N 2 2 243.351 -0.492 20 0 BBADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(=O)N(C)C ZINC000383602393 398303937 /nfs/dbraw/zinc/30/39/37/398303937.db2.gz QNWNXAYRQNVPAQ-MWLCHTKSSA-N 2 2 243.351 -0.492 20 0 BBADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(=O)N(C)C ZINC000383602394 398031121 /nfs/dbraw/zinc/03/11/21/398031121.db2.gz QNWNXAYRQNVPAQ-ONGXEEELSA-N 2 2 243.351 -0.492 20 0 BBADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(=O)N(C)C ZINC000383602394 398031119 /nfs/dbraw/zinc/03/11/19/398031119.db2.gz QNWNXAYRQNVPAQ-ONGXEEELSA-N 2 2 243.351 -0.492 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000383625512 367645047 /nfs/dbraw/zinc/64/50/47/367645047.db2.gz WCYUHCUTJBEJHN-CMPLNLGQSA-N 2 2 245.367 -0.211 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000383625512 367645040 /nfs/dbraw/zinc/64/50/40/367645040.db2.gz WCYUHCUTJBEJHN-CMPLNLGQSA-N 2 2 245.367 -0.211 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@](C)(C(N)=O)C(C)C ZINC000383625513 367644954 /nfs/dbraw/zinc/64/49/54/367644954.db2.gz WCYUHCUTJBEJHN-JQWIXIFHSA-N 2 2 245.367 -0.211 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@](C)(C(N)=O)C(C)C ZINC000383625513 367644948 /nfs/dbraw/zinc/64/49/48/367644948.db2.gz WCYUHCUTJBEJHN-JQWIXIFHSA-N 2 2 245.367 -0.211 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@](C)(C(N)=O)C(C)C ZINC000383625515 367644049 /nfs/dbraw/zinc/64/40/49/367644049.db2.gz WCYUHCUTJBEJHN-PWSUYJOCSA-N 2 2 245.367 -0.211 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@](C)(C(N)=O)C(C)C ZINC000383625515 367644047 /nfs/dbraw/zinc/64/40/47/367644047.db2.gz WCYUHCUTJBEJHN-PWSUYJOCSA-N 2 2 245.367 -0.211 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000383625516 367644275 /nfs/dbraw/zinc/64/42/75/367644275.db2.gz WCYUHCUTJBEJHN-ZYHUDNBSSA-N 2 2 245.367 -0.211 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000383625516 367644269 /nfs/dbraw/zinc/64/42/69/367644269.db2.gz WCYUHCUTJBEJHN-ZYHUDNBSSA-N 2 2 245.367 -0.211 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CCOCCO ZINC000383662293 487658955 /nfs/dbraw/zinc/65/89/55/487658955.db2.gz GPRYTZJYMUQOLW-GFCCVEGCSA-N 2 2 248.367 -0.372 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CCOCCO ZINC000383662293 487658953 /nfs/dbraw/zinc/65/89/53/487658953.db2.gz GPRYTZJYMUQOLW-GFCCVEGCSA-N 2 2 248.367 -0.372 20 0 BBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CCOCCO ZINC000383662293 487658951 /nfs/dbraw/zinc/65/89/51/487658951.db2.gz GPRYTZJYMUQOLW-GFCCVEGCSA-N 2 2 248.367 -0.372 20 0 BBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CCOCCO ZINC000383662293 487658948 /nfs/dbraw/zinc/65/89/48/487658948.db2.gz GPRYTZJYMUQOLW-GFCCVEGCSA-N 2 2 248.367 -0.372 20 0 BBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CCOCCO ZINC000383662294 487658559 /nfs/dbraw/zinc/65/85/59/487658559.db2.gz GPRYTZJYMUQOLW-LBPRGKRZSA-N 2 2 248.367 -0.372 20 0 BBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CCOCCO ZINC000383662294 487658553 /nfs/dbraw/zinc/65/85/53/487658553.db2.gz GPRYTZJYMUQOLW-LBPRGKRZSA-N 2 2 248.367 -0.372 20 0 BBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CCOCCO ZINC000383662294 487658547 /nfs/dbraw/zinc/65/85/47/487658547.db2.gz GPRYTZJYMUQOLW-LBPRGKRZSA-N 2 2 248.367 -0.372 20 0 BBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CCOCCO ZINC000383662294 487658541 /nfs/dbraw/zinc/65/85/41/487658541.db2.gz GPRYTZJYMUQOLW-LBPRGKRZSA-N 2 2 248.367 -0.372 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](NC(C)=O)C1 ZINC000383662310 367647667 /nfs/dbraw/zinc/64/76/67/367647667.db2.gz GQGZRILOOBOXFZ-NEPJUHHUSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](NC(C)=O)C1 ZINC000383662310 367647663 /nfs/dbraw/zinc/64/76/63/367647663.db2.gz GQGZRILOOBOXFZ-NEPJUHHUSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](NC(C)=O)C1 ZINC000383662310 367647658 /nfs/dbraw/zinc/64/76/58/367647658.db2.gz GQGZRILOOBOXFZ-NEPJUHHUSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](NC(C)=O)C1 ZINC000383662310 367647651 /nfs/dbraw/zinc/64/76/51/367647651.db2.gz GQGZRILOOBOXFZ-NEPJUHHUSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](NC(C)=O)C1 ZINC000383662311 367647133 /nfs/dbraw/zinc/64/71/33/367647133.db2.gz GQGZRILOOBOXFZ-NWDGAFQWSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](NC(C)=O)C1 ZINC000383662311 367647126 /nfs/dbraw/zinc/64/71/26/367647126.db2.gz GQGZRILOOBOXFZ-NWDGAFQWSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](NC(C)=O)C1 ZINC000383662311 367647120 /nfs/dbraw/zinc/64/71/20/367647120.db2.gz GQGZRILOOBOXFZ-NWDGAFQWSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](NC(C)=O)C1 ZINC000383662311 367647113 /nfs/dbraw/zinc/64/71/13/367647113.db2.gz GQGZRILOOBOXFZ-NWDGAFQWSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](NC(C)=O)C1 ZINC000383662312 367647416 /nfs/dbraw/zinc/64/74/16/367647416.db2.gz GQGZRILOOBOXFZ-RYUDHWBXSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](NC(C)=O)C1 ZINC000383662312 367647409 /nfs/dbraw/zinc/64/74/09/367647409.db2.gz GQGZRILOOBOXFZ-RYUDHWBXSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](NC(C)=O)C1 ZINC000383662312 367647403 /nfs/dbraw/zinc/64/74/03/367647403.db2.gz GQGZRILOOBOXFZ-RYUDHWBXSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](NC(C)=O)C1 ZINC000383662312 367647399 /nfs/dbraw/zinc/64/73/99/367647399.db2.gz GQGZRILOOBOXFZ-RYUDHWBXSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](NC(C)=O)C1 ZINC000383662313 367647634 /nfs/dbraw/zinc/64/76/34/367647634.db2.gz GQGZRILOOBOXFZ-VXGBXAGGSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](NC(C)=O)C1 ZINC000383662313 367647630 /nfs/dbraw/zinc/64/76/30/367647630.db2.gz GQGZRILOOBOXFZ-VXGBXAGGSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](NC(C)=O)C1 ZINC000383662313 367647625 /nfs/dbraw/zinc/64/76/25/367647625.db2.gz GQGZRILOOBOXFZ-VXGBXAGGSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](NC(C)=O)C1 ZINC000383662313 367647618 /nfs/dbraw/zinc/64/76/18/367647618.db2.gz GQGZRILOOBOXFZ-VXGBXAGGSA-N 2 2 243.351 -0.491 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH2+]C1COCCOC1)C1CC1 ZINC000383664397 398032911 /nfs/dbraw/zinc/03/29/11/398032911.db2.gz MOVDJFGPXOTHMQ-GFCCVEGCSA-N 2 2 244.335 -0.554 20 0 BBADLP C[N@H+](C[C@H](O)C[NH2+]C1COCCOC1)C1CC1 ZINC000383664397 398032908 /nfs/dbraw/zinc/03/29/08/398032908.db2.gz MOVDJFGPXOTHMQ-GFCCVEGCSA-N 2 2 244.335 -0.554 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH2+]C1COCCOC1)C1CC1 ZINC000383664399 398032642 /nfs/dbraw/zinc/03/26/42/398032642.db2.gz MOVDJFGPXOTHMQ-LBPRGKRZSA-N 2 2 244.335 -0.554 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH2+]C1COCCOC1)C1CC1 ZINC000383664399 398032639 /nfs/dbraw/zinc/03/26/39/398032639.db2.gz MOVDJFGPXOTHMQ-LBPRGKRZSA-N 2 2 244.335 -0.554 20 0 BBADLP Cn1cc[nH+]c1CNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000383734491 367649954 /nfs/dbraw/zinc/64/99/54/367649954.db2.gz HMXQJWRFPCDFSW-LLVKDONJSA-N 2 2 238.335 -0.035 20 0 BBADLP Cn1cc[nH+]c1CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000383734491 367649952 /nfs/dbraw/zinc/64/99/52/367649952.db2.gz HMXQJWRFPCDFSW-LLVKDONJSA-N 2 2 238.335 -0.035 20 0 BBADLP Cn1cc[nH+]c1CNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000383734492 367650308 /nfs/dbraw/zinc/65/03/08/367650308.db2.gz HMXQJWRFPCDFSW-NSHDSACASA-N 2 2 238.335 -0.035 20 0 BBADLP Cn1cc[nH+]c1CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000383734492 367650302 /nfs/dbraw/zinc/65/03/02/367650302.db2.gz HMXQJWRFPCDFSW-NSHDSACASA-N 2 2 238.335 -0.035 20 0 BBADLP CO[C@@H]1COCC[C@@H]1[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000383746315 710901348 /nfs/dbraw/zinc/90/13/48/710901348.db2.gz DCZVSEKDNKKIFV-GRYCIOLGSA-N 2 2 244.335 -0.290 20 0 BBADLP CO[C@@H]1COCC[C@@H]1[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000383746315 710901345 /nfs/dbraw/zinc/90/13/45/710901345.db2.gz DCZVSEKDNKKIFV-GRYCIOLGSA-N 2 2 244.335 -0.290 20 0 BBADLP CO[C@@H]1COCC[C@H]1[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000383746316 710901326 /nfs/dbraw/zinc/90/13/26/710901326.db2.gz DCZVSEKDNKKIFV-IJLUTSLNSA-N 2 2 244.335 -0.290 20 0 BBADLP CO[C@@H]1COCC[C@H]1[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000383746316 710901320 /nfs/dbraw/zinc/90/13/20/710901320.db2.gz DCZVSEKDNKKIFV-IJLUTSLNSA-N 2 2 244.335 -0.290 20 0 BBADLP CO[C@@H]1COCC[C@H]1[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000383746317 710901390 /nfs/dbraw/zinc/90/13/90/710901390.db2.gz DCZVSEKDNKKIFV-QJPTWQEYSA-N 2 2 244.335 -0.290 20 0 BBADLP CO[C@@H]1COCC[C@H]1[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000383746317 710901387 /nfs/dbraw/zinc/90/13/87/710901387.db2.gz DCZVSEKDNKKIFV-QJPTWQEYSA-N 2 2 244.335 -0.290 20 0 BBADLP CO[C@@H]1COCC[C@@H]1[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000383746318 710901362 /nfs/dbraw/zinc/90/13/62/710901362.db2.gz DCZVSEKDNKKIFV-SDDRHHMPSA-N 2 2 244.335 -0.290 20 0 BBADLP CO[C@@H]1COCC[C@@H]1[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000383746318 710901359 /nfs/dbraw/zinc/90/13/59/710901359.db2.gz DCZVSEKDNKKIFV-SDDRHHMPSA-N 2 2 244.335 -0.290 20 0 BBADLP COC[C@H](CCO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000383749640 367651651 /nfs/dbraw/zinc/65/16/51/367651651.db2.gz JRFVNNYWZHRPFI-CMPLNLGQSA-N 2 2 246.351 -0.572 20 0 BBADLP COC[C@H](CCO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000383749640 367651644 /nfs/dbraw/zinc/65/16/44/367651644.db2.gz JRFVNNYWZHRPFI-CMPLNLGQSA-N 2 2 246.351 -0.572 20 0 BBADLP COC[C@H](CCO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000383749643 367651360 /nfs/dbraw/zinc/65/13/60/367651360.db2.gz JRFVNNYWZHRPFI-JQWIXIFHSA-N 2 2 246.351 -0.572 20 0 BBADLP COC[C@H](CCO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000383749643 367651358 /nfs/dbraw/zinc/65/13/58/367651358.db2.gz JRFVNNYWZHRPFI-JQWIXIFHSA-N 2 2 246.351 -0.572 20 0 BBADLP COC[C@@H](CCO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000383749645 367651393 /nfs/dbraw/zinc/65/13/93/367651393.db2.gz JRFVNNYWZHRPFI-PWSUYJOCSA-N 2 2 246.351 -0.572 20 0 BBADLP COC[C@@H](CCO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000383749645 367651391 /nfs/dbraw/zinc/65/13/91/367651391.db2.gz JRFVNNYWZHRPFI-PWSUYJOCSA-N 2 2 246.351 -0.572 20 0 BBADLP COC[C@@H](CCO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000383749647 367651448 /nfs/dbraw/zinc/65/14/48/367651448.db2.gz JRFVNNYWZHRPFI-ZYHUDNBSSA-N 2 2 246.351 -0.572 20 0 BBADLP COC[C@@H](CCO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000383749647 367651445 /nfs/dbraw/zinc/65/14/45/367651445.db2.gz JRFVNNYWZHRPFI-ZYHUDNBSSA-N 2 2 246.351 -0.572 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CC(C)(C)O ZINC000383752138 349485852 /nfs/dbraw/zinc/48/58/52/349485852.db2.gz KBEJRRBDDODSCG-LLVKDONJSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CC(C)(C)O ZINC000383752138 349485850 /nfs/dbraw/zinc/48/58/50/349485850.db2.gz KBEJRRBDDODSCG-LLVKDONJSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CC(C)(C)O ZINC000383752138 349485846 /nfs/dbraw/zinc/48/58/46/349485846.db2.gz KBEJRRBDDODSCG-LLVKDONJSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CC(C)(C)O ZINC000383752138 349485844 /nfs/dbraw/zinc/48/58/44/349485844.db2.gz KBEJRRBDDODSCG-LLVKDONJSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CC(C)(C)O ZINC000383752139 349486729 /nfs/dbraw/zinc/48/67/29/349486729.db2.gz KBEJRRBDDODSCG-NSHDSACASA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CC(C)(C)O ZINC000383752139 349486727 /nfs/dbraw/zinc/48/67/27/349486727.db2.gz KBEJRRBDDODSCG-NSHDSACASA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CC(C)(C)O ZINC000383752139 349486725 /nfs/dbraw/zinc/48/67/25/349486725.db2.gz KBEJRRBDDODSCG-NSHDSACASA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CC(C)(C)O ZINC000383752139 349486723 /nfs/dbraw/zinc/48/67/23/349486723.db2.gz KBEJRRBDDODSCG-NSHDSACASA-N 2 2 248.367 -0.372 20 0 BBADLP Cc1nc(N)nc(NCC2CC[NH+](C)CC2)[nH+]1 ZINC000383860229 411942680 /nfs/dbraw/zinc/94/26/80/411942680.db2.gz YTOPKWBNFQOKIB-UHFFFAOYSA-N 2 2 236.323 -0.062 20 0 BBADLP Cc1nc(NCC2CC[NH+](C)CC2)nc(N)[nH+]1 ZINC000383860229 411942676 /nfs/dbraw/zinc/94/26/76/411942676.db2.gz YTOPKWBNFQOKIB-UHFFFAOYSA-N 2 2 236.323 -0.062 20 0 BBADLP Cc1nc(NCC[NH+]2CCCCC2)nc(N)[nH+]1 ZINC000383886028 411941520 /nfs/dbraw/zinc/94/15/20/411941520.db2.gz KRLAPNSDXXHYCP-UHFFFAOYSA-N 2 2 236.323 0.082 20 0 BBADLP COC[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)OC ZINC000384059254 367671025 /nfs/dbraw/zinc/67/10/25/367671025.db2.gz XUURRMAAAXZCIM-NEPJUHHUSA-N 2 2 246.351 -0.308 20 0 BBADLP COC[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)OC ZINC000384059254 367671023 /nfs/dbraw/zinc/67/10/23/367671023.db2.gz XUURRMAAAXZCIM-NEPJUHHUSA-N 2 2 246.351 -0.308 20 0 BBADLP COC[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)OC ZINC000384059256 367670892 /nfs/dbraw/zinc/67/08/92/367670892.db2.gz XUURRMAAAXZCIM-NWDGAFQWSA-N 2 2 246.351 -0.308 20 0 BBADLP COC[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)OC ZINC000384059256 367670888 /nfs/dbraw/zinc/67/08/88/367670888.db2.gz XUURRMAAAXZCIM-NWDGAFQWSA-N 2 2 246.351 -0.308 20 0 BBADLP COC[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)OC ZINC000384059258 367671042 /nfs/dbraw/zinc/67/10/42/367671042.db2.gz XUURRMAAAXZCIM-RYUDHWBXSA-N 2 2 246.351 -0.308 20 0 BBADLP COC[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)OC ZINC000384059258 367671040 /nfs/dbraw/zinc/67/10/40/367671040.db2.gz XUURRMAAAXZCIM-RYUDHWBXSA-N 2 2 246.351 -0.308 20 0 BBADLP COC[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)OC ZINC000384059260 367671152 /nfs/dbraw/zinc/67/11/52/367671152.db2.gz XUURRMAAAXZCIM-VXGBXAGGSA-N 2 2 246.351 -0.308 20 0 BBADLP COC[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)OC ZINC000384059260 367671147 /nfs/dbraw/zinc/67/11/47/367671147.db2.gz XUURRMAAAXZCIM-VXGBXAGGSA-N 2 2 246.351 -0.308 20 0 BBADLP CN1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1=O ZINC000384066155 367670681 /nfs/dbraw/zinc/67/06/81/367670681.db2.gz ZAPUUZDXHPQTCY-GXSJLCMTSA-N 2 2 241.335 -0.738 20 0 BBADLP CN1C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1=O ZINC000384066155 367670677 /nfs/dbraw/zinc/67/06/77/367670677.db2.gz ZAPUUZDXHPQTCY-GXSJLCMTSA-N 2 2 241.335 -0.738 20 0 BBADLP CN1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1=O ZINC000384066169 367670584 /nfs/dbraw/zinc/67/05/84/367670584.db2.gz ZAPUUZDXHPQTCY-KOLCDFICSA-N 2 2 241.335 -0.738 20 0 BBADLP CN1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1=O ZINC000384066169 367670578 /nfs/dbraw/zinc/67/05/78/367670578.db2.gz ZAPUUZDXHPQTCY-KOLCDFICSA-N 2 2 241.335 -0.738 20 0 BBADLP CN1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1=O ZINC000384066176 398108906 /nfs/dbraw/zinc/10/89/06/398108906.db2.gz ZAPUUZDXHPQTCY-MWLCHTKSSA-N 2 2 241.335 -0.738 20 0 BBADLP CN1C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1=O ZINC000384066176 398108904 /nfs/dbraw/zinc/10/89/04/398108904.db2.gz ZAPUUZDXHPQTCY-MWLCHTKSSA-N 2 2 241.335 -0.738 20 0 BBADLP CN1C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1=O ZINC000384066182 398108315 /nfs/dbraw/zinc/10/83/15/398108315.db2.gz ZAPUUZDXHPQTCY-ONGXEEELSA-N 2 2 241.335 -0.738 20 0 BBADLP CN1C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1=O ZINC000384066182 398108314 /nfs/dbraw/zinc/10/83/14/398108314.db2.gz ZAPUUZDXHPQTCY-ONGXEEELSA-N 2 2 241.335 -0.738 20 0 BBADLP COC(=O)[C@](C)(O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000384691216 710995366 /nfs/dbraw/zinc/99/53/66/710995366.db2.gz CNXPLJRYAHUKRP-FYLLDIAZSA-N 2 2 242.319 -0.598 20 0 BBADLP COC(=O)[C@](C)(O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000384691216 710995361 /nfs/dbraw/zinc/99/53/61/710995361.db2.gz CNXPLJRYAHUKRP-FYLLDIAZSA-N 2 2 242.319 -0.598 20 0 BBADLP COC(=O)[C@@](C)(O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000384691220 710995516 /nfs/dbraw/zinc/99/55/16/710995516.db2.gz CNXPLJRYAHUKRP-XNDJQWLSSA-N 2 2 242.319 -0.598 20 0 BBADLP COC(=O)[C@@](C)(O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000384691220 710995514 /nfs/dbraw/zinc/99/55/14/710995514.db2.gz CNXPLJRYAHUKRP-XNDJQWLSSA-N 2 2 242.319 -0.598 20 0 BBADLP CN(C)S(=O)(=O)CC[N@@H+](C)C1CC([NH3+])C1 ZINC000384734065 487834034 /nfs/dbraw/zinc/83/40/34/487834034.db2.gz BSJMDPSLPNQECD-UHFFFAOYSA-N 2 2 235.353 -0.701 20 0 BBADLP CN(C)S(=O)(=O)CC[N@H+](C)C1CC([NH3+])C1 ZINC000384734065 487834029 /nfs/dbraw/zinc/83/40/29/487834029.db2.gz BSJMDPSLPNQECD-UHFFFAOYSA-N 2 2 235.353 -0.701 20 0 BBADLP C[N@@H+](CCCS(C)(=O)=O)C1CC([NH3+])C1 ZINC000384741655 367725554 /nfs/dbraw/zinc/72/55/54/367725554.db2.gz MAOXVUQSPJEFOP-UHFFFAOYSA-N 2 2 220.338 -0.157 20 0 BBADLP C[N@H+](CCCS(C)(=O)=O)C1CC([NH3+])C1 ZINC000384741655 367725548 /nfs/dbraw/zinc/72/55/48/367725548.db2.gz MAOXVUQSPJEFOP-UHFFFAOYSA-N 2 2 220.338 -0.157 20 0 BBADLP CC(C)(CNC(=O)[C@H]1CC[NH2+]1)[NH+]1CCOCC1 ZINC000384765649 367728473 /nfs/dbraw/zinc/72/84/73/367728473.db2.gz AZCUSWMHIVQJIP-SNVBAGLBSA-N 2 2 241.335 -0.425 20 0 BBADLP O=C([C@H]1CC[NH2+]1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000384792702 367733460 /nfs/dbraw/zinc/73/34/60/367733460.db2.gz VHRHSTVGMHBTGY-GHMZBOCLSA-N 2 2 239.319 -0.719 20 0 BBADLP O=C([C@H]1CC[NH2+]1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000384792707 367732607 /nfs/dbraw/zinc/73/26/07/367732607.db2.gz VHRHSTVGMHBTGY-WDEREUQCSA-N 2 2 239.319 -0.719 20 0 BBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[NH2+]1 ZINC000384813648 367736543 /nfs/dbraw/zinc/73/65/43/367736543.db2.gz HSYCEHNRBHMXMT-NXEZZACHSA-N 2 2 227.308 -0.815 20 0 BBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[NH2+]1 ZINC000384813652 367736749 /nfs/dbraw/zinc/73/67/49/367736749.db2.gz HSYCEHNRBHMXMT-VHSXEESVSA-N 2 2 227.308 -0.815 20 0 BBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[NH2+]1 ZINC000384824783 367737632 /nfs/dbraw/zinc/73/76/32/367737632.db2.gz VBYIQXVQLSEEMK-DTWKUNHWSA-N 2 2 208.265 -0.250 20 0 BBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[NH2+]1 ZINC000384824785 367737902 /nfs/dbraw/zinc/73/79/02/367737902.db2.gz VBYIQXVQLSEEMK-RKDXNWHRSA-N 2 2 208.265 -0.250 20 0 BBADLP O=C(NCCCn1cc[nH+]c1)[C@H]1CC[NH2+]1 ZINC000384836281 367739649 /nfs/dbraw/zinc/73/96/49/367739649.db2.gz PDMJLAPFAJDECC-SECBINFHSA-N 2 2 208.265 -0.249 20 0 BBADLP C[N@@H+](CC(=O)NCC1CC1)C1CC([NH3+])C1 ZINC000384917272 367757542 /nfs/dbraw/zinc/75/75/42/367757542.db2.gz ZGIRVJMNYGMCJU-UHFFFAOYSA-N 2 2 211.309 -0.066 20 0 BBADLP C[N@H+](CC(=O)NCC1CC1)C1CC([NH3+])C1 ZINC000384917272 367757539 /nfs/dbraw/zinc/75/75/39/367757539.db2.gz ZGIRVJMNYGMCJU-UHFFFAOYSA-N 2 2 211.309 -0.066 20 0 BBADLP COCC(COC)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000384922819 712705057 /nfs/dbraw/zinc/70/50/57/712705057.db2.gz GUJPTUGFHNQFEH-PSASIEDQSA-N 2 2 202.298 -0.073 20 0 BBADLP COCC(COC)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000384922819 712705056 /nfs/dbraw/zinc/70/50/56/712705056.db2.gz GUJPTUGFHNQFEH-PSASIEDQSA-N 2 2 202.298 -0.073 20 0 BBADLP CCNC(=O)NC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000385071995 367782353 /nfs/dbraw/zinc/78/23/53/367782353.db2.gz VTXTWRVZNPAGHS-UHFFFAOYSA-N 2 2 228.296 -0.746 20 0 BBADLP CCNC(=O)NC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000385071995 367782349 /nfs/dbraw/zinc/78/23/49/367782349.db2.gz VTXTWRVZNPAGHS-UHFFFAOYSA-N 2 2 228.296 -0.746 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC000385072219 711004624 /nfs/dbraw/zinc/00/46/24/711004624.db2.gz DQXNHWQUTQEJEV-URLYPYJESA-N 2 2 214.309 -0.513 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC000385072219 711004621 /nfs/dbraw/zinc/00/46/21/711004621.db2.gz DQXNHWQUTQEJEV-URLYPYJESA-N 2 2 214.309 -0.513 20 0 BBADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C1CC([NH3+])C1 ZINC000385111623 367793599 /nfs/dbraw/zinc/79/35/99/367793599.db2.gz DBTJVFNVMLLELY-AFPNSQJFSA-N 2 2 242.323 -0.358 20 0 BBADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C1CC([NH3+])C1 ZINC000385111623 367793594 /nfs/dbraw/zinc/79/35/94/367793594.db2.gz DBTJVFNVMLLELY-AFPNSQJFSA-N 2 2 242.323 -0.358 20 0 BBADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C1CC([NH3+])C1 ZINC000385111625 367793919 /nfs/dbraw/zinc/79/39/19/367793919.db2.gz DBTJVFNVMLLELY-UEJVZZJDSA-N 2 2 242.323 -0.358 20 0 BBADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C1CC([NH3+])C1 ZINC000385111625 367793910 /nfs/dbraw/zinc/79/39/10/367793910.db2.gz DBTJVFNVMLLELY-UEJVZZJDSA-N 2 2 242.323 -0.358 20 0 BBADLP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CC([NH3+])C2)CCO1 ZINC000385114563 712717048 /nfs/dbraw/zinc/71/70/48/712717048.db2.gz DQKIERMXZZTDEU-KPPDAEKUSA-N 2 2 241.335 -0.345 20 0 BBADLP C[C@@H]1CN(C(=O)C[N@H+](C)C2CC([NH3+])C2)CCO1 ZINC000385114563 712717047 /nfs/dbraw/zinc/71/70/47/712717047.db2.gz DQKIERMXZZTDEU-KPPDAEKUSA-N 2 2 241.335 -0.345 20 0 BBADLP C[C@H]1CN(C(=O)C[N@@H+](C)C2CC([NH3+])C2)CCO1 ZINC000385114564 712716985 /nfs/dbraw/zinc/71/69/85/712716985.db2.gz DQKIERMXZZTDEU-WHXUTIOJSA-N 2 2 241.335 -0.345 20 0 BBADLP C[C@H]1CN(C(=O)C[N@H+](C)C2CC([NH3+])C2)CCO1 ZINC000385114564 712716983 /nfs/dbraw/zinc/71/69/83/712716983.db2.gz DQKIERMXZZTDEU-WHXUTIOJSA-N 2 2 241.335 -0.345 20 0 BBADLP COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385136616 711005553 /nfs/dbraw/zinc/00/55/53/711005553.db2.gz LMZUQGVHJIXYHK-UKKRHICBSA-N 2 2 214.309 -0.515 20 0 BBADLP COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385136616 711005551 /nfs/dbraw/zinc/00/55/51/711005551.db2.gz LMZUQGVHJIXYHK-UKKRHICBSA-N 2 2 214.309 -0.515 20 0 BBADLP COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385136619 711006235 /nfs/dbraw/zinc/00/62/35/711006235.db2.gz LMZUQGVHJIXYHK-ZNSHCXBVSA-N 2 2 214.309 -0.515 20 0 BBADLP COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385136619 711006233 /nfs/dbraw/zinc/00/62/33/711006233.db2.gz LMZUQGVHJIXYHK-ZNSHCXBVSA-N 2 2 214.309 -0.515 20 0 BBADLP C[N@@H+](CC(=O)NC[C@@H]1CCCO1)C1CC([NH3+])C1 ZINC000385188909 367806635 /nfs/dbraw/zinc/80/66/35/367806635.db2.gz OEFXDOFBZLQJAI-ILDUYXDCSA-N 2 2 241.335 -0.297 20 0 BBADLP C[N@H+](CC(=O)NC[C@@H]1CCCO1)C1CC([NH3+])C1 ZINC000385188909 367806631 /nfs/dbraw/zinc/80/66/31/367806631.db2.gz OEFXDOFBZLQJAI-ILDUYXDCSA-N 2 2 241.335 -0.297 20 0 BBADLP C[N@@H+](CC(=O)NC[C@H]1CCCO1)C1CC([NH3+])C1 ZINC000385188918 367806285 /nfs/dbraw/zinc/80/62/85/367806285.db2.gz OEFXDOFBZLQJAI-VQXHTEKXSA-N 2 2 241.335 -0.297 20 0 BBADLP C[N@H+](CC(=O)NC[C@H]1CCCO1)C1CC([NH3+])C1 ZINC000385188918 367806280 /nfs/dbraw/zinc/80/62/80/367806280.db2.gz OEFXDOFBZLQJAI-VQXHTEKXSA-N 2 2 241.335 -0.297 20 0 BBADLP C[N@@H+](CC(=O)NC1CCOCC1)C1CC([NH3+])C1 ZINC000385192965 367806802 /nfs/dbraw/zinc/80/68/02/367806802.db2.gz OSUOHVVPXRBVOW-UHFFFAOYSA-N 2 2 241.335 -0.297 20 0 BBADLP C[N@H+](CC(=O)NC1CCOCC1)C1CC([NH3+])C1 ZINC000385192965 367806797 /nfs/dbraw/zinc/80/67/97/367806797.db2.gz OSUOHVVPXRBVOW-UHFFFAOYSA-N 2 2 241.335 -0.297 20 0 BBADLP CCCNC(=O)NC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000385208388 342687255 /nfs/dbraw/zinc/68/72/55/342687255.db2.gz QATGOXAXWRFIBH-UHFFFAOYSA-N 2 2 242.323 -0.356 20 0 BBADLP CCCNC(=O)NC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000385208388 342687254 /nfs/dbraw/zinc/68/72/54/342687254.db2.gz QATGOXAXWRFIBH-UHFFFAOYSA-N 2 2 242.323 -0.356 20 0 BBADLP C(C[NH+]1CCOCC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385209239 367809515 /nfs/dbraw/zinc/80/95/15/367809515.db2.gz ITZJKZOGLLCGKA-NEPJUHHUSA-N 2 2 225.336 -0.388 20 0 BBADLP C[C@@H]1C[C@@H]([NH3+])CN1CC[NH+]1CCOCC1 ZINC000385238842 344379692 /nfs/dbraw/zinc/37/96/92/344379692.db2.gz LCYRJDXSYUYYCP-GHMZBOCLSA-N 2 2 213.325 -0.260 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])CN1CC[NH+]1CCOCC1 ZINC000385238843 344379664 /nfs/dbraw/zinc/37/96/64/344379664.db2.gz LCYRJDXSYUYYCP-MNOVXSKESA-N 2 2 213.325 -0.260 20 0 BBADLP C[C@H]1C[C@H]([NH3+])CN1CC[NH+]1CCOCC1 ZINC000385238844 344379613 /nfs/dbraw/zinc/37/96/13/344379613.db2.gz LCYRJDXSYUYYCP-QWRGUYRKSA-N 2 2 213.325 -0.260 20 0 BBADLP C[C@H]1C[C@@H]([NH3+])CN1CC[NH+]1CCOCC1 ZINC000385238845 344379586 /nfs/dbraw/zinc/37/95/86/344379586.db2.gz LCYRJDXSYUYYCP-WDEREUQCSA-N 2 2 213.325 -0.260 20 0 BBADLP C[N@@H+](CC(=O)NC(=O)NC1CC1)C1CC([NH3+])C1 ZINC000385269786 367815507 /nfs/dbraw/zinc/81/55/07/367815507.db2.gz ZURGLVPDNQRXES-UHFFFAOYSA-N 2 2 240.307 -0.604 20 0 BBADLP C[N@H+](CC(=O)NC(=O)NC1CC1)C1CC([NH3+])C1 ZINC000385269786 367815501 /nfs/dbraw/zinc/81/55/01/367815501.db2.gz ZURGLVPDNQRXES-UHFFFAOYSA-N 2 2 240.307 -0.604 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CC3(CO)COC3)C[C@H]21 ZINC000385272892 711009589 /nfs/dbraw/zinc/00/95/89/711009589.db2.gz YFNVPCROYIYTRK-URLYPYJESA-N 2 2 226.320 -0.513 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CC3(CO)COC3)C[C@H]21 ZINC000385272892 711009585 /nfs/dbraw/zinc/00/95/85/711009585.db2.gz YFNVPCROYIYTRK-URLYPYJESA-N 2 2 226.320 -0.513 20 0 BBADLP CCOC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385277377 711010055 /nfs/dbraw/zinc/01/00/55/711010055.db2.gz YPNJEHDCSYJQCK-NNYUYHANSA-N 2 2 228.336 -0.124 20 0 BBADLP CCOC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385277377 711010049 /nfs/dbraw/zinc/01/00/49/711010049.db2.gz YPNJEHDCSYJQCK-NNYUYHANSA-N 2 2 228.336 -0.124 20 0 BBADLP CCOC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385277380 711009645 /nfs/dbraw/zinc/00/96/45/711009645.db2.gz YPNJEHDCSYJQCK-WYUUTHIRSA-N 2 2 228.336 -0.124 20 0 BBADLP CCOC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385277380 711009643 /nfs/dbraw/zinc/00/96/43/711009643.db2.gz YPNJEHDCSYJQCK-WYUUTHIRSA-N 2 2 228.336 -0.124 20 0 BBADLP C[N@@H+](CCN1C(=O)CCC1=O)C1(C[NH3+])CCC1 ZINC000385286039 367817445 /nfs/dbraw/zinc/81/74/45/367817445.db2.gz HOZCOSKDVQKZEN-UHFFFAOYSA-N 2 2 239.319 -0.051 20 0 BBADLP C[N@H+](CCN1C(=O)CCC1=O)C1(C[NH3+])CCC1 ZINC000385286039 367817440 /nfs/dbraw/zinc/81/74/40/367817440.db2.gz HOZCOSKDVQKZEN-UHFFFAOYSA-N 2 2 239.319 -0.051 20 0 BBADLP COC[C@H](O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385291299 711010409 /nfs/dbraw/zinc/01/04/09/711010409.db2.gz CHDXYKUOJZAQHE-BBBLOLIVSA-N 2 2 200.282 -0.713 20 0 BBADLP COC[C@H](O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385291299 711010407 /nfs/dbraw/zinc/01/04/07/711010407.db2.gz CHDXYKUOJZAQHE-BBBLOLIVSA-N 2 2 200.282 -0.713 20 0 BBADLP COC[C@@H](O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385291300 711010391 /nfs/dbraw/zinc/01/03/91/711010391.db2.gz CHDXYKUOJZAQHE-UTLUCORTSA-N 2 2 200.282 -0.713 20 0 BBADLP COC[C@@H](O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385291300 711010389 /nfs/dbraw/zinc/01/03/89/711010389.db2.gz CHDXYKUOJZAQHE-UTLUCORTSA-N 2 2 200.282 -0.713 20 0 BBADLP C[N@@H+](CCN1C(=O)CNC1=O)C1(C[NH3+])CCC1 ZINC000385313371 367819243 /nfs/dbraw/zinc/81/92/43/367819243.db2.gz MFNQVDSWBWJYCH-UHFFFAOYSA-N 2 2 240.307 -0.649 20 0 BBADLP C[N@H+](CCN1C(=O)CNC1=O)C1(C[NH3+])CCC1 ZINC000385313371 367819233 /nfs/dbraw/zinc/81/92/33/367819233.db2.gz MFNQVDSWBWJYCH-UHFFFAOYSA-N 2 2 240.307 -0.649 20 0 BBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](CCO)CCCO ZINC000385324786 487781199 /nfs/dbraw/zinc/78/11/99/487781199.db2.gz IPKKQQNVZCYJOT-GFCCVEGCSA-N 2 2 248.367 -0.636 20 0 BBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](CCO)CCCO ZINC000385324786 487781197 /nfs/dbraw/zinc/78/11/97/487781197.db2.gz IPKKQQNVZCYJOT-GFCCVEGCSA-N 2 2 248.367 -0.636 20 0 BBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](CCO)CCCO ZINC000385324786 487781194 /nfs/dbraw/zinc/78/11/94/487781194.db2.gz IPKKQQNVZCYJOT-GFCCVEGCSA-N 2 2 248.367 -0.636 20 0 BBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](CCO)CCCO ZINC000385324786 487781191 /nfs/dbraw/zinc/78/11/91/487781191.db2.gz IPKKQQNVZCYJOT-GFCCVEGCSA-N 2 2 248.367 -0.636 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](CCO)CCCO ZINC000385324787 487780892 /nfs/dbraw/zinc/78/08/92/487780892.db2.gz IPKKQQNVZCYJOT-LBPRGKRZSA-N 2 2 248.367 -0.636 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](CCO)CCCO ZINC000385324787 487780887 /nfs/dbraw/zinc/78/08/87/487780887.db2.gz IPKKQQNVZCYJOT-LBPRGKRZSA-N 2 2 248.367 -0.636 20 0 BBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](CCO)CCCO ZINC000385324787 487780879 /nfs/dbraw/zinc/78/08/79/487780879.db2.gz IPKKQQNVZCYJOT-LBPRGKRZSA-N 2 2 248.367 -0.636 20 0 BBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](CCO)CCCO ZINC000385324787 487780874 /nfs/dbraw/zinc/78/08/74/487780874.db2.gz IPKKQQNVZCYJOT-LBPRGKRZSA-N 2 2 248.367 -0.636 20 0 BBADLP OCCC[N@H+](CCO)C[C@H](O)C[NH+]1CCCC1 ZINC000385332056 711012082 /nfs/dbraw/zinc/01/20/82/711012082.db2.gz SBGMKJBXIRUSMR-GFCCVEGCSA-N 2 2 246.351 -0.880 20 0 BBADLP OCCC[N@H+](CCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000385332057 711011050 /nfs/dbraw/zinc/01/10/50/711011050.db2.gz SBGMKJBXIRUSMR-LBPRGKRZSA-N 2 2 246.351 -0.880 20 0 BBADLP C[N@H+]1CC[C@@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000386128068 362942194 /nfs/dbraw/zinc/94/21/94/362942194.db2.gz DLKWGOKPZZCWQX-MRVPVSSYSA-N 2 2 208.265 -0.022 20 0 BBADLP C[N@@H+]1CC[C@@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000386128068 362942192 /nfs/dbraw/zinc/94/21/92/362942192.db2.gz DLKWGOKPZZCWQX-MRVPVSSYSA-N 2 2 208.265 -0.022 20 0 BBADLP C[N@H+]1CC[C@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000386128078 362941490 /nfs/dbraw/zinc/94/14/90/362941490.db2.gz DLKWGOKPZZCWQX-QMMMGPOBSA-N 2 2 208.265 -0.022 20 0 BBADLP C[N@@H+]1CC[C@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000386128078 362941486 /nfs/dbraw/zinc/94/14/86/362941486.db2.gz DLKWGOKPZZCWQX-QMMMGPOBSA-N 2 2 208.265 -0.022 20 0 BBADLP COCC[N@@H+](C)CCNC1=[NH+]CCCN1C ZINC000386429244 711029349 /nfs/dbraw/zinc/02/93/49/711029349.db2.gz LDSZZLAJYIQRFX-UHFFFAOYSA-N 2 2 228.340 -0.154 20 0 BBADLP COCC[N@H+](C)CCNC1=[NH+]CCCN1C ZINC000386429244 711029344 /nfs/dbraw/zinc/02/93/44/711029344.db2.gz LDSZZLAJYIQRFX-UHFFFAOYSA-N 2 2 228.340 -0.154 20 0 BBADLP CC1(C)CN(CC[NH+]2CCOCC2)C[C@H]1[NH3+] ZINC000387962991 711049463 /nfs/dbraw/zinc/04/94/63/711049463.db2.gz HIPMXYPUPHJEGR-LLVKDONJSA-N 2 2 227.352 -0.012 20 0 BBADLP CC1(C)CN(CC[NH+]2CCOCC2)C[C@@H]1[NH3+] ZINC000387962994 711049650 /nfs/dbraw/zinc/04/96/50/711049650.db2.gz HIPMXYPUPHJEGR-NSHDSACASA-N 2 2 227.352 -0.012 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000388095724 490265891 /nfs/dbraw/zinc/26/58/91/490265891.db2.gz UNDRPYYLWWCPCR-GRYCIOLGSA-N 2 2 246.351 -0.762 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000388095724 490265888 /nfs/dbraw/zinc/26/58/88/490265888.db2.gz UNDRPYYLWWCPCR-GRYCIOLGSA-N 2 2 246.351 -0.762 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](O)C1 ZINC000388095724 490265882 /nfs/dbraw/zinc/26/58/82/490265882.db2.gz UNDRPYYLWWCPCR-GRYCIOLGSA-N 2 2 246.351 -0.762 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](O)C1 ZINC000388095724 490265879 /nfs/dbraw/zinc/26/58/79/490265879.db2.gz UNDRPYYLWWCPCR-GRYCIOLGSA-N 2 2 246.351 -0.762 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000388095760 490265721 /nfs/dbraw/zinc/26/57/21/490265721.db2.gz UNDRPYYLWWCPCR-SDDRHHMPSA-N 2 2 246.351 -0.762 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000388095760 490265715 /nfs/dbraw/zinc/26/57/15/490265715.db2.gz UNDRPYYLWWCPCR-SDDRHHMPSA-N 2 2 246.351 -0.762 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@H](O)C1 ZINC000388095760 490265709 /nfs/dbraw/zinc/26/57/09/490265709.db2.gz UNDRPYYLWWCPCR-SDDRHHMPSA-N 2 2 246.351 -0.762 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@H](O)C1 ZINC000388095760 490265705 /nfs/dbraw/zinc/26/57/05/490265705.db2.gz UNDRPYYLWWCPCR-SDDRHHMPSA-N 2 2 246.351 -0.762 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000388095761 490265785 /nfs/dbraw/zinc/26/57/85/490265785.db2.gz UNDRPYYLWWCPCR-SRVKXCTJSA-N 2 2 246.351 -0.762 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000388095761 490265779 /nfs/dbraw/zinc/26/57/79/490265779.db2.gz UNDRPYYLWWCPCR-SRVKXCTJSA-N 2 2 246.351 -0.762 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)[C@@H](C)C1 ZINC000388095761 490265776 /nfs/dbraw/zinc/26/57/76/490265776.db2.gz UNDRPYYLWWCPCR-SRVKXCTJSA-N 2 2 246.351 -0.762 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)[C@@H](C)C1 ZINC000388095761 490265772 /nfs/dbraw/zinc/26/57/72/490265772.db2.gz UNDRPYYLWWCPCR-SRVKXCTJSA-N 2 2 246.351 -0.762 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000388095763 490265501 /nfs/dbraw/zinc/26/55/01/490265501.db2.gz UNDRPYYLWWCPCR-WOPDTQHZSA-N 2 2 246.351 -0.762 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000388095763 490265496 /nfs/dbraw/zinc/26/54/96/490265496.db2.gz UNDRPYYLWWCPCR-WOPDTQHZSA-N 2 2 246.351 -0.762 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@@H](O)C1 ZINC000388095763 490265491 /nfs/dbraw/zinc/26/54/91/490265491.db2.gz UNDRPYYLWWCPCR-WOPDTQHZSA-N 2 2 246.351 -0.762 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@@H](O)C1 ZINC000388095763 490265486 /nfs/dbraw/zinc/26/54/86/490265486.db2.gz UNDRPYYLWWCPCR-WOPDTQHZSA-N 2 2 246.351 -0.762 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCSC[C@H]1CO ZINC000388207114 411205983 /nfs/dbraw/zinc/20/59/83/411205983.db2.gz UNQSDWXIQWQUSI-GHMZBOCLSA-N 2 2 248.392 -0.291 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCSC[C@H]1CO ZINC000388207114 411205981 /nfs/dbraw/zinc/20/59/81/411205981.db2.gz UNQSDWXIQWQUSI-GHMZBOCLSA-N 2 2 248.392 -0.291 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCSC[C@H]1CO ZINC000388207114 411205978 /nfs/dbraw/zinc/20/59/78/411205978.db2.gz UNQSDWXIQWQUSI-GHMZBOCLSA-N 2 2 248.392 -0.291 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCSC[C@H]1CO ZINC000388207114 411205977 /nfs/dbraw/zinc/20/59/77/411205977.db2.gz UNQSDWXIQWQUSI-GHMZBOCLSA-N 2 2 248.392 -0.291 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCSC[C@H]1CO ZINC000388207122 411205896 /nfs/dbraw/zinc/20/58/96/411205896.db2.gz UNQSDWXIQWQUSI-MNOVXSKESA-N 2 2 248.392 -0.291 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCSC[C@H]1CO ZINC000388207122 411205895 /nfs/dbraw/zinc/20/58/95/411205895.db2.gz UNQSDWXIQWQUSI-MNOVXSKESA-N 2 2 248.392 -0.291 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCSC[C@H]1CO ZINC000388207122 411205892 /nfs/dbraw/zinc/20/58/92/411205892.db2.gz UNQSDWXIQWQUSI-MNOVXSKESA-N 2 2 248.392 -0.291 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCSC[C@H]1CO ZINC000388207122 411205888 /nfs/dbraw/zinc/20/58/88/411205888.db2.gz UNQSDWXIQWQUSI-MNOVXSKESA-N 2 2 248.392 -0.291 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCSC[C@@H]1CO ZINC000388207123 411206389 /nfs/dbraw/zinc/20/63/89/411206389.db2.gz UNQSDWXIQWQUSI-QWRGUYRKSA-N 2 2 248.392 -0.291 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCSC[C@@H]1CO ZINC000388207123 411206387 /nfs/dbraw/zinc/20/63/87/411206387.db2.gz UNQSDWXIQWQUSI-QWRGUYRKSA-N 2 2 248.392 -0.291 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCSC[C@@H]1CO ZINC000388207123 411206386 /nfs/dbraw/zinc/20/63/86/411206386.db2.gz UNQSDWXIQWQUSI-QWRGUYRKSA-N 2 2 248.392 -0.291 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCSC[C@@H]1CO ZINC000388207123 411206384 /nfs/dbraw/zinc/20/63/84/411206384.db2.gz UNQSDWXIQWQUSI-QWRGUYRKSA-N 2 2 248.392 -0.291 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCSC[C@@H]1CO ZINC000388207124 411206515 /nfs/dbraw/zinc/20/65/15/411206515.db2.gz UNQSDWXIQWQUSI-WDEREUQCSA-N 2 2 248.392 -0.291 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCSC[C@@H]1CO ZINC000388207124 411206512 /nfs/dbraw/zinc/20/65/12/411206512.db2.gz UNQSDWXIQWQUSI-WDEREUQCSA-N 2 2 248.392 -0.291 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCSC[C@@H]1CO ZINC000388207124 411206509 /nfs/dbraw/zinc/20/65/09/411206509.db2.gz UNQSDWXIQWQUSI-WDEREUQCSA-N 2 2 248.392 -0.291 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCSC[C@@H]1CO ZINC000388207124 411206508 /nfs/dbraw/zinc/20/65/08/411206508.db2.gz UNQSDWXIQWQUSI-WDEREUQCSA-N 2 2 248.392 -0.291 20 0 BBADLP COCC(COC)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000388384702 397894516 /nfs/dbraw/zinc/89/45/16/397894516.db2.gz ZBQUTNRLWKEDIX-GFCCVEGCSA-N 2 2 246.351 -0.306 20 0 BBADLP COCC(COC)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000388384704 397894520 /nfs/dbraw/zinc/89/45/20/397894520.db2.gz ZBQUTNRLWKEDIX-LBPRGKRZSA-N 2 2 246.351 -0.306 20 0 BBADLP COCC(COC)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000388417854 397896148 /nfs/dbraw/zinc/89/61/48/397896148.db2.gz CQHXYUJLBWXKKX-GFCCVEGCSA-N 2 2 246.351 -0.308 20 0 BBADLP COCC(COC)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000388417854 397896144 /nfs/dbraw/zinc/89/61/44/397896144.db2.gz CQHXYUJLBWXKKX-GFCCVEGCSA-N 2 2 246.351 -0.308 20 0 BBADLP COCC(COC)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000388417860 397896190 /nfs/dbraw/zinc/89/61/90/397896190.db2.gz CQHXYUJLBWXKKX-LBPRGKRZSA-N 2 2 246.351 -0.308 20 0 BBADLP COCC(COC)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000388417860 397896187 /nfs/dbraw/zinc/89/61/87/397896187.db2.gz CQHXYUJLBWXKKX-LBPRGKRZSA-N 2 2 246.351 -0.308 20 0 BBADLP Cn1c[nH+]cc1CNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000388490937 491068304 /nfs/dbraw/zinc/06/83/04/491068304.db2.gz GVNCLZKWNJEIMV-GFCCVEGCSA-N 2 2 238.335 -0.035 20 0 BBADLP Cn1c[nH+]cc1CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000388490937 491068302 /nfs/dbraw/zinc/06/83/02/491068302.db2.gz GVNCLZKWNJEIMV-GFCCVEGCSA-N 2 2 238.335 -0.035 20 0 BBADLP Cn1c[nH+]cc1CNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000388490939 491068354 /nfs/dbraw/zinc/06/83/54/491068354.db2.gz GVNCLZKWNJEIMV-LBPRGKRZSA-N 2 2 238.335 -0.035 20 0 BBADLP Cn1c[nH+]cc1CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000388490939 491068352 /nfs/dbraw/zinc/06/83/52/491068352.db2.gz GVNCLZKWNJEIMV-LBPRGKRZSA-N 2 2 238.335 -0.035 20 0 BBADLP Cc1nc(NC[C@H](C)[NH+](C)C)nc(N)[nH+]1 ZINC000389404574 398324791 /nfs/dbraw/zinc/32/47/91/398324791.db2.gz KHGZMUSAANVLQV-LURJTMIESA-N 2 2 210.285 -0.624 20 0 BBADLP Cc1nc(NC[C@@H](C)[NH+](C)C)nc(N)[nH+]1 ZINC000389404575 398081667 /nfs/dbraw/zinc/08/16/67/398081667.db2.gz KHGZMUSAANVLQV-ZCFIWIBFSA-N 2 2 210.285 -0.624 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCOC1)C1CC1 ZINC000389574430 398080884 /nfs/dbraw/zinc/08/08/84/398080884.db2.gz DEANHWVJRFEXLE-GXSJLCMTSA-N 2 2 214.309 -0.180 20 0 BBADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCOC1)C1CC1 ZINC000389574430 398080882 /nfs/dbraw/zinc/08/08/82/398080882.db2.gz DEANHWVJRFEXLE-GXSJLCMTSA-N 2 2 214.309 -0.180 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCOC1)C1CC1 ZINC000389574431 410008638 /nfs/dbraw/zinc/00/86/38/410008638.db2.gz DEANHWVJRFEXLE-KOLCDFICSA-N 2 2 214.309 -0.180 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCOC1)C1CC1 ZINC000389574431 410008632 /nfs/dbraw/zinc/00/86/32/410008632.db2.gz DEANHWVJRFEXLE-KOLCDFICSA-N 2 2 214.309 -0.180 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCOC1)C1CC1 ZINC000389574433 410009257 /nfs/dbraw/zinc/00/92/57/410009257.db2.gz DEANHWVJRFEXLE-MWLCHTKSSA-N 2 2 214.309 -0.180 20 0 BBADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCOC1)C1CC1 ZINC000389574433 410009249 /nfs/dbraw/zinc/00/92/49/410009249.db2.gz DEANHWVJRFEXLE-MWLCHTKSSA-N 2 2 214.309 -0.180 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCOC1)C1CC1 ZINC000389574436 410008315 /nfs/dbraw/zinc/00/83/15/410008315.db2.gz DEANHWVJRFEXLE-ONGXEEELSA-N 2 2 214.309 -0.180 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCOC1)C1CC1 ZINC000389574436 410008306 /nfs/dbraw/zinc/00/83/06/410008306.db2.gz DEANHWVJRFEXLE-ONGXEEELSA-N 2 2 214.309 -0.180 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](CO)C1 ZINC000389603185 398115001 /nfs/dbraw/zinc/11/50/01/398115001.db2.gz WFCHVNMLFHMTGC-GHMZBOCLSA-N 2 2 216.325 -0.387 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](CO)C1 ZINC000389603185 398114997 /nfs/dbraw/zinc/11/49/97/398114997.db2.gz WFCHVNMLFHMTGC-GHMZBOCLSA-N 2 2 216.325 -0.387 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CO)C1 ZINC000389603185 398114993 /nfs/dbraw/zinc/11/49/93/398114993.db2.gz WFCHVNMLFHMTGC-GHMZBOCLSA-N 2 2 216.325 -0.387 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CO)C1 ZINC000389603185 398114990 /nfs/dbraw/zinc/11/49/90/398114990.db2.gz WFCHVNMLFHMTGC-GHMZBOCLSA-N 2 2 216.325 -0.387 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](CO)C1 ZINC000389603186 398114644 /nfs/dbraw/zinc/11/46/44/398114644.db2.gz WFCHVNMLFHMTGC-MNOVXSKESA-N 2 2 216.325 -0.387 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CO)C1 ZINC000389603186 398114641 /nfs/dbraw/zinc/11/46/41/398114641.db2.gz WFCHVNMLFHMTGC-MNOVXSKESA-N 2 2 216.325 -0.387 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CO)C1 ZINC000389603186 398114640 /nfs/dbraw/zinc/11/46/40/398114640.db2.gz WFCHVNMLFHMTGC-MNOVXSKESA-N 2 2 216.325 -0.387 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CO)C1 ZINC000389603186 398114638 /nfs/dbraw/zinc/11/46/38/398114638.db2.gz WFCHVNMLFHMTGC-MNOVXSKESA-N 2 2 216.325 -0.387 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](CO)C1 ZINC000389603187 398114681 /nfs/dbraw/zinc/11/46/81/398114681.db2.gz WFCHVNMLFHMTGC-QWRGUYRKSA-N 2 2 216.325 -0.387 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CO)C1 ZINC000389603187 398114679 /nfs/dbraw/zinc/11/46/79/398114679.db2.gz WFCHVNMLFHMTGC-QWRGUYRKSA-N 2 2 216.325 -0.387 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CO)C1 ZINC000389603187 398114678 /nfs/dbraw/zinc/11/46/78/398114678.db2.gz WFCHVNMLFHMTGC-QWRGUYRKSA-N 2 2 216.325 -0.387 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](CO)C1 ZINC000389603187 398114675 /nfs/dbraw/zinc/11/46/75/398114675.db2.gz WFCHVNMLFHMTGC-QWRGUYRKSA-N 2 2 216.325 -0.387 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](CO)C1 ZINC000389603189 398114852 /nfs/dbraw/zinc/11/48/52/398114852.db2.gz WFCHVNMLFHMTGC-WDEREUQCSA-N 2 2 216.325 -0.387 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](CO)C1 ZINC000389603189 398114851 /nfs/dbraw/zinc/11/48/51/398114851.db2.gz WFCHVNMLFHMTGC-WDEREUQCSA-N 2 2 216.325 -0.387 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CO)C1 ZINC000389603189 398114849 /nfs/dbraw/zinc/11/48/49/398114849.db2.gz WFCHVNMLFHMTGC-WDEREUQCSA-N 2 2 216.325 -0.387 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CO)C1 ZINC000389603189 398114846 /nfs/dbraw/zinc/11/48/46/398114846.db2.gz WFCHVNMLFHMTGC-WDEREUQCSA-N 2 2 216.325 -0.387 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH2+]CC[S@](C)=O)C1CC1 ZINC000389658662 711085098 /nfs/dbraw/zinc/08/50/98/711085098.db2.gz CQRZBPGVLNJVMH-BMIGLBTASA-N 2 2 234.365 -0.590 20 0 BBADLP C[N@H+](C[C@H](O)C[NH2+]CC[S@](C)=O)C1CC1 ZINC000389658662 711085094 /nfs/dbraw/zinc/08/50/94/711085094.db2.gz CQRZBPGVLNJVMH-BMIGLBTASA-N 2 2 234.365 -0.590 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH2+]CC[S@](C)=O)C1CC1 ZINC000389658663 711085789 /nfs/dbraw/zinc/08/57/89/711085789.db2.gz CQRZBPGVLNJVMH-BONVTDFDSA-N 2 2 234.365 -0.590 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH2+]CC[S@](C)=O)C1CC1 ZINC000389658663 711085785 /nfs/dbraw/zinc/08/57/85/711085785.db2.gz CQRZBPGVLNJVMH-BONVTDFDSA-N 2 2 234.365 -0.590 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH2+]CC[S@@](C)=O)C1CC1 ZINC000389658664 711085505 /nfs/dbraw/zinc/08/55/05/711085505.db2.gz CQRZBPGVLNJVMH-MEBBXXQBSA-N 2 2 234.365 -0.590 20 0 BBADLP C[N@H+](C[C@H](O)C[NH2+]CC[S@@](C)=O)C1CC1 ZINC000389658664 711085500 /nfs/dbraw/zinc/08/55/00/711085500.db2.gz CQRZBPGVLNJVMH-MEBBXXQBSA-N 2 2 234.365 -0.590 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH2+]CC[S@@](C)=O)C1CC1 ZINC000389658665 711085882 /nfs/dbraw/zinc/08/58/82/711085882.db2.gz CQRZBPGVLNJVMH-ZUZCIYMTSA-N 2 2 234.365 -0.590 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH2+]CC[S@@](C)=O)C1CC1 ZINC000389658665 711085878 /nfs/dbraw/zinc/08/58/78/711085878.db2.gz CQRZBPGVLNJVMH-ZUZCIYMTSA-N 2 2 234.365 -0.590 20 0 BBADLP COCCOC[C@H](O)C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000389659351 711766489 /nfs/dbraw/zinc/76/64/89/711766489.db2.gz DQFALCWTALCEMX-NXEZZACHSA-N 2 2 220.313 -0.711 20 0 BBADLP COCCOC[C@H](O)C[N@H+](C)C[C@@H](C)[NH3+] ZINC000389659351 711766488 /nfs/dbraw/zinc/76/64/88/711766488.db2.gz DQFALCWTALCEMX-NXEZZACHSA-N 2 2 220.313 -0.711 20 0 BBADLP COCCOC[C@@H](O)C[N@@H+](C)C[C@H](C)[NH3+] ZINC000389659352 711084856 /nfs/dbraw/zinc/08/48/56/711084856.db2.gz DQFALCWTALCEMX-UWVGGRQHSA-N 2 2 220.313 -0.711 20 0 BBADLP COCCOC[C@@H](O)C[N@H+](C)C[C@H](C)[NH3+] ZINC000389659352 711084853 /nfs/dbraw/zinc/08/48/53/711084853.db2.gz DQFALCWTALCEMX-UWVGGRQHSA-N 2 2 220.313 -0.711 20 0 BBADLP COCCOC[C@H](O)C[N@@H+](C)C[C@H](C)[NH3+] ZINC000389659353 711085299 /nfs/dbraw/zinc/08/52/99/711085299.db2.gz DQFALCWTALCEMX-VHSXEESVSA-N 2 2 220.313 -0.711 20 0 BBADLP COCCOC[C@H](O)C[N@H+](C)C[C@H](C)[NH3+] ZINC000389659353 711085295 /nfs/dbraw/zinc/08/52/95/711085295.db2.gz DQFALCWTALCEMX-VHSXEESVSA-N 2 2 220.313 -0.711 20 0 BBADLP COCCOC[C@@H](O)C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000389659354 711085449 /nfs/dbraw/zinc/08/54/49/711085449.db2.gz DQFALCWTALCEMX-ZJUUUORDSA-N 2 2 220.313 -0.711 20 0 BBADLP COCCOC[C@@H](O)C[N@H+](C)C[C@@H](C)[NH3+] ZINC000389659354 711085444 /nfs/dbraw/zinc/08/54/44/711085444.db2.gz DQFALCWTALCEMX-ZJUUUORDSA-N 2 2 220.313 -0.711 20 0 BBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cn(C)nn1 ZINC000389817173 488112930 /nfs/dbraw/zinc/11/29/30/488112930.db2.gz SIYVINJVJZZUAJ-NXEZZACHSA-N 2 2 239.323 -0.328 20 0 BBADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cn(C)nn1 ZINC000389817174 488112915 /nfs/dbraw/zinc/11/29/15/488112915.db2.gz SIYVINJVJZZUAJ-UWVGGRQHSA-N 2 2 239.323 -0.328 20 0 BBADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cn(C)nn1 ZINC000389817175 488113302 /nfs/dbraw/zinc/11/33/02/488113302.db2.gz SIYVINJVJZZUAJ-VHSXEESVSA-N 2 2 239.323 -0.328 20 0 BBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cn(C)nn1 ZINC000389817176 488113205 /nfs/dbraw/zinc/11/32/05/488113205.db2.gz SIYVINJVJZZUAJ-ZJUUUORDSA-N 2 2 239.323 -0.328 20 0 BBADLP [NH3+]CCOCC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000389875448 357058202 /nfs/dbraw/zinc/05/82/02/357058202.db2.gz LKOBZNKHSGDSHL-JTQLQIEISA-N 3 2 201.314 -0.225 20 0 BBADLP [NH3+]CCOCC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000389875448 357058200 /nfs/dbraw/zinc/05/82/00/357058200.db2.gz LKOBZNKHSGDSHL-JTQLQIEISA-N 3 2 201.314 -0.225 20 0 BBADLP [NH3+]CCOCC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000389875449 357058220 /nfs/dbraw/zinc/05/82/20/357058220.db2.gz LKOBZNKHSGDSHL-SNVBAGLBSA-N 3 2 201.314 -0.225 20 0 BBADLP [NH3+]CCOCC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000389875449 357058219 /nfs/dbraw/zinc/05/82/19/357058219.db2.gz LKOBZNKHSGDSHL-SNVBAGLBSA-N 3 2 201.314 -0.225 20 0 BBADLP Cn1nncc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000389898662 539018557 /nfs/dbraw/zinc/01/85/57/539018557.db2.gz BNLISAQKRPQLQS-IUCAKERBSA-N 2 2 207.281 -0.534 20 0 BBADLP Cn1nncc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000389898665 539018262 /nfs/dbraw/zinc/01/82/62/539018262.db2.gz BNLISAQKRPQLQS-RKDXNWHRSA-N 2 2 207.281 -0.534 20 0 BBADLP COC[C@H](C)OC[C@@H](O)C[N@@H+](C)C[C@H](C)[NH3+] ZINC000390229472 712390245 /nfs/dbraw/zinc/39/02/45/712390245.db2.gz FRQPBMQHKIUDDA-DCAQKATOSA-N 2 2 234.340 -0.322 20 0 BBADLP COC[C@H](C)OC[C@@H](O)C[N@H+](C)C[C@H](C)[NH3+] ZINC000390229472 712390243 /nfs/dbraw/zinc/39/02/43/712390243.db2.gz FRQPBMQHKIUDDA-DCAQKATOSA-N 2 2 234.340 -0.322 20 0 BBADLP COC[C@H](C)OC[C@H](O)C[N@@H+](C)C[C@H](C)[NH3+] ZINC000390229474 712390328 /nfs/dbraw/zinc/39/03/28/712390328.db2.gz FRQPBMQHKIUDDA-GARJFASQSA-N 2 2 234.340 -0.322 20 0 BBADLP COC[C@H](C)OC[C@H](O)C[N@H+](C)C[C@H](C)[NH3+] ZINC000390229474 712390326 /nfs/dbraw/zinc/39/03/26/712390326.db2.gz FRQPBMQHKIUDDA-GARJFASQSA-N 2 2 234.340 -0.322 20 0 BBADLP COC[C@H](C)OC[C@H](O)C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000390229477 712390184 /nfs/dbraw/zinc/39/01/84/712390184.db2.gz FRQPBMQHKIUDDA-OUAUKWLOSA-N 2 2 234.340 -0.322 20 0 BBADLP COC[C@H](C)OC[C@H](O)C[N@H+](C)C[C@@H](C)[NH3+] ZINC000390229477 712390182 /nfs/dbraw/zinc/39/01/82/712390182.db2.gz FRQPBMQHKIUDDA-OUAUKWLOSA-N 2 2 234.340 -0.322 20 0 BBADLP COC[C@H](C)OC[C@@H](O)C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000390229479 712390444 /nfs/dbraw/zinc/39/04/44/712390444.db2.gz FRQPBMQHKIUDDA-VWYCJHECSA-N 2 2 234.340 -0.322 20 0 BBADLP COC[C@H](C)OC[C@@H](O)C[N@H+](C)C[C@@H](C)[NH3+] ZINC000390229479 712390443 /nfs/dbraw/zinc/39/04/43/712390443.db2.gz FRQPBMQHKIUDDA-VWYCJHECSA-N 2 2 234.340 -0.322 20 0 BBADLP COC(=O)N1CC([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000390484819 259390608 /nfs/dbraw/zinc/39/06/08/259390608.db2.gz OGBKRZFLHSWZGT-PSASIEDQSA-N 2 2 227.308 -0.023 20 0 BBADLP COC(=O)N1CC([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000390484819 259390606 /nfs/dbraw/zinc/39/06/06/259390606.db2.gz OGBKRZFLHSWZGT-PSASIEDQSA-N 2 2 227.308 -0.023 20 0 BBADLP COC(=O)N1CC([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000390484820 259390565 /nfs/dbraw/zinc/39/05/65/259390565.db2.gz OGBKRZFLHSWZGT-SCZZXKLOSA-N 2 2 227.308 -0.023 20 0 BBADLP COC(=O)N1CC([NH2+][C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000390484820 259390563 /nfs/dbraw/zinc/39/05/63/259390563.db2.gz OGBKRZFLHSWZGT-SCZZXKLOSA-N 2 2 227.308 -0.023 20 0 BBADLP COC(=O)N1CC([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000390484821 259390532 /nfs/dbraw/zinc/39/05/32/259390532.db2.gz OGBKRZFLHSWZGT-WCBMZHEXSA-N 2 2 227.308 -0.023 20 0 BBADLP COC(=O)N1CC([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000390484821 259390531 /nfs/dbraw/zinc/39/05/31/259390531.db2.gz OGBKRZFLHSWZGT-WCBMZHEXSA-N 2 2 227.308 -0.023 20 0 BBADLP COC(=O)N1CC([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000390484822 259390550 /nfs/dbraw/zinc/39/05/50/259390550.db2.gz OGBKRZFLHSWZGT-WPRPVWTQSA-N 2 2 227.308 -0.023 20 0 BBADLP COC(=O)N1CC([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000390484822 259390548 /nfs/dbraw/zinc/39/05/48/259390548.db2.gz OGBKRZFLHSWZGT-WPRPVWTQSA-N 2 2 227.308 -0.023 20 0 BBADLP CC1([NH3+])CC[NH+](CCNS(C)(=O)=O)CC1 ZINC000390541475 491122258 /nfs/dbraw/zinc/12/22/58/491122258.db2.gz LNGLHIFUBHYXGS-UHFFFAOYSA-N 2 2 235.353 -0.651 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)CO ZINC000390566356 488167035 /nfs/dbraw/zinc/16/70/35/488167035.db2.gz LVYRVQQPMRNANJ-GHMZBOCLSA-N 2 2 234.340 -0.762 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)CO ZINC000390566356 488167031 /nfs/dbraw/zinc/16/70/31/488167031.db2.gz LVYRVQQPMRNANJ-GHMZBOCLSA-N 2 2 234.340 -0.762 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)CO ZINC000390566356 488167025 /nfs/dbraw/zinc/16/70/25/488167025.db2.gz LVYRVQQPMRNANJ-GHMZBOCLSA-N 2 2 234.340 -0.762 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)CO ZINC000390566356 488167022 /nfs/dbraw/zinc/16/70/22/488167022.db2.gz LVYRVQQPMRNANJ-GHMZBOCLSA-N 2 2 234.340 -0.762 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)CO ZINC000390566357 488166934 /nfs/dbraw/zinc/16/69/34/488166934.db2.gz LVYRVQQPMRNANJ-MNOVXSKESA-N 2 2 234.340 -0.762 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)CO ZINC000390566357 488166930 /nfs/dbraw/zinc/16/69/30/488166930.db2.gz LVYRVQQPMRNANJ-MNOVXSKESA-N 2 2 234.340 -0.762 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)CO ZINC000390566357 488166926 /nfs/dbraw/zinc/16/69/26/488166926.db2.gz LVYRVQQPMRNANJ-MNOVXSKESA-N 2 2 234.340 -0.762 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)CO ZINC000390566357 488166923 /nfs/dbraw/zinc/16/69/23/488166923.db2.gz LVYRVQQPMRNANJ-MNOVXSKESA-N 2 2 234.340 -0.762 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)CO ZINC000390566358 357105055 /nfs/dbraw/zinc/10/50/55/357105055.db2.gz LVYRVQQPMRNANJ-QWRGUYRKSA-N 2 2 234.340 -0.762 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)CO ZINC000390566358 357105054 /nfs/dbraw/zinc/10/50/54/357105054.db2.gz LVYRVQQPMRNANJ-QWRGUYRKSA-N 2 2 234.340 -0.762 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)CO ZINC000390566358 357105051 /nfs/dbraw/zinc/10/50/51/357105051.db2.gz LVYRVQQPMRNANJ-QWRGUYRKSA-N 2 2 234.340 -0.762 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)CO ZINC000390566358 357105048 /nfs/dbraw/zinc/10/50/48/357105048.db2.gz LVYRVQQPMRNANJ-QWRGUYRKSA-N 2 2 234.340 -0.762 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)CO ZINC000390566359 347394247 /nfs/dbraw/zinc/39/42/47/347394247.db2.gz LVYRVQQPMRNANJ-WDEREUQCSA-N 2 2 234.340 -0.762 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)CO ZINC000390566359 347394245 /nfs/dbraw/zinc/39/42/45/347394245.db2.gz LVYRVQQPMRNANJ-WDEREUQCSA-N 2 2 234.340 -0.762 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)CO ZINC000390566359 347394242 /nfs/dbraw/zinc/39/42/42/347394242.db2.gz LVYRVQQPMRNANJ-WDEREUQCSA-N 2 2 234.340 -0.762 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)CO ZINC000390566359 347394240 /nfs/dbraw/zinc/39/42/40/347394240.db2.gz LVYRVQQPMRNANJ-WDEREUQCSA-N 2 2 234.340 -0.762 20 0 BBADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(C)(C)[NH3+] ZINC000390606320 398175390 /nfs/dbraw/zinc/17/53/90/398175390.db2.gz CTKMVKLZFDUQNM-UHFFFAOYSA-N 3 2 214.357 -0.439 20 0 BBADLP C[N@H+](CCN1CC[NH2+]CC1)CC(C)(C)[NH3+] ZINC000390606320 398175387 /nfs/dbraw/zinc/17/53/87/398175387.db2.gz CTKMVKLZFDUQNM-UHFFFAOYSA-N 3 2 214.357 -0.439 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CCCO ZINC000390614669 357107614 /nfs/dbraw/zinc/10/76/14/357107614.db2.gz CLQPZLLKIDIXFB-LLVKDONJSA-N 2 2 234.340 -0.760 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CCCO ZINC000390614669 357107609 /nfs/dbraw/zinc/10/76/09/357107609.db2.gz CLQPZLLKIDIXFB-LLVKDONJSA-N 2 2 234.340 -0.760 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CCCO ZINC000390614669 357107607 /nfs/dbraw/zinc/10/76/07/357107607.db2.gz CLQPZLLKIDIXFB-LLVKDONJSA-N 2 2 234.340 -0.760 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CCCO ZINC000390614670 357107523 /nfs/dbraw/zinc/10/75/23/357107523.db2.gz CLQPZLLKIDIXFB-NSHDSACASA-N 2 2 234.340 -0.760 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CCCO ZINC000390614670 357107520 /nfs/dbraw/zinc/10/75/20/357107520.db2.gz CLQPZLLKIDIXFB-NSHDSACASA-N 2 2 234.340 -0.760 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CCCO ZINC000390614670 357107517 /nfs/dbraw/zinc/10/75/17/357107517.db2.gz CLQPZLLKIDIXFB-NSHDSACASA-N 2 2 234.340 -0.760 20 0 BBADLP Cn1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)n1 ZINC000390664408 357110263 /nfs/dbraw/zinc/11/02/63/357110263.db2.gz TWCUQEINFPKSTR-LLVKDONJSA-N 2 2 224.308 -0.424 20 0 BBADLP Cn1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)n1 ZINC000390664408 357110261 /nfs/dbraw/zinc/11/02/61/357110261.db2.gz TWCUQEINFPKSTR-LLVKDONJSA-N 2 2 224.308 -0.424 20 0 BBADLP Cn1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)n1 ZINC000390664411 357110214 /nfs/dbraw/zinc/11/02/14/357110214.db2.gz TWCUQEINFPKSTR-NSHDSACASA-N 2 2 224.308 -0.424 20 0 BBADLP Cn1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)n1 ZINC000390664411 357110211 /nfs/dbraw/zinc/11/02/11/357110211.db2.gz TWCUQEINFPKSTR-NSHDSACASA-N 2 2 224.308 -0.424 20 0 BBADLP O=C(NCc1[nH]cc[nH+]1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000390790054 398249647 /nfs/dbraw/zinc/24/96/47/398249647.db2.gz BNTVXYFDZWPJKI-QMSLJYSESA-N 2 2 206.249 -0.509 20 0 BBADLP COC[C@H](CO)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000392830746 711153855 /nfs/dbraw/zinc/15/38/55/711153855.db2.gz FBUJRVGHTNOFIE-DCHHYWPUSA-N 2 2 226.320 -0.420 20 0 BBADLP COC[C@H](CO)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000392830751 711153442 /nfs/dbraw/zinc/15/34/42/711153442.db2.gz FBUJRVGHTNOFIE-KTWSDMTRSA-N 2 2 226.320 -0.420 20 0 BBADLP COC[C@H](CO)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000392830753 711153335 /nfs/dbraw/zinc/15/33/35/711153335.db2.gz FBUJRVGHTNOFIE-KUYXLPFXSA-N 2 2 226.320 -0.420 20 0 BBADLP Cc1nc(NCC[N@@H+]2CC=CCC2)nc(N)[nH+]1 ZINC000392854300 411944668 /nfs/dbraw/zinc/94/46/68/411944668.db2.gz BFDBDVUHYYAPGJ-UHFFFAOYSA-N 2 2 234.307 -0.142 20 0 BBADLP Cc1nc(NCC[N@H+]2CC=CCC2)nc(N)[nH+]1 ZINC000392854300 411944662 /nfs/dbraw/zinc/94/46/62/411944662.db2.gz BFDBDVUHYYAPGJ-UHFFFAOYSA-N 2 2 234.307 -0.142 20 0 BBADLP Cc1nc(N)nc(NCC2=CC[N@@H+](C)CC2)[nH+]1 ZINC000392927247 411945377 /nfs/dbraw/zinc/94/53/77/411945377.db2.gz RETPIFLROROTBP-UHFFFAOYSA-N 2 2 234.307 -0.142 20 0 BBADLP Cc1nc(N)nc(NCC2=CC[N@H+](C)CC2)[nH+]1 ZINC000392927247 411945375 /nfs/dbraw/zinc/94/53/75/411945375.db2.gz RETPIFLROROTBP-UHFFFAOYSA-N 2 2 234.307 -0.142 20 0 BBADLP Cc1nc(NCC2=CC[N@H+](C)CC2)nc(N)[nH+]1 ZINC000392927247 411945368 /nfs/dbraw/zinc/94/53/68/411945368.db2.gz RETPIFLROROTBP-UHFFFAOYSA-N 2 2 234.307 -0.142 20 0 BBADLP O=C(C[NH2+][C@H]1CCC[NH2+]C1)NCC1CC1 ZINC000392983233 357267695 /nfs/dbraw/zinc/26/76/95/357267695.db2.gz GPYMNQVTQXFDTP-JTQLQIEISA-N 2 2 211.309 -0.146 20 0 BBADLP O=C(C[NH2+][C@@H]1CCC[NH2+]C1)NCC1CC1 ZINC000392983243 357757454 /nfs/dbraw/zinc/75/74/54/357757454.db2.gz GPYMNQVTQXFDTP-SNVBAGLBSA-N 2 2 211.309 -0.146 20 0 BBADLP [NH3+]CC[N@@H+](CCO)CCCCCCO ZINC000393626910 711596720 /nfs/dbraw/zinc/59/67/20/711596720.db2.gz FGWRBPYZNWCOGP-UHFFFAOYSA-N 2 2 204.314 -0.208 20 0 BBADLP [NH3+]CC[N@H+](CCO)CCCCCCO ZINC000393626910 711596718 /nfs/dbraw/zinc/59/67/18/711596718.db2.gz FGWRBPYZNWCOGP-UHFFFAOYSA-N 2 2 204.314 -0.208 20 0 BBADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC000393635459 388436600 /nfs/dbraw/zinc/43/66/00/388436600.db2.gz VVJFOIJGYGALIO-GMTAPVOTSA-N 2 2 216.325 -0.077 20 0 BBADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC000393635459 388436599 /nfs/dbraw/zinc/43/65/99/388436599.db2.gz VVJFOIJGYGALIO-GMTAPVOTSA-N 2 2 216.325 -0.077 20 0 BBADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC000393635712 388435979 /nfs/dbraw/zinc/43/59/79/388435979.db2.gz VVJFOIJGYGALIO-MXWKQRLJSA-N 2 2 216.325 -0.077 20 0 BBADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC000393635712 388435976 /nfs/dbraw/zinc/43/59/76/388435976.db2.gz VVJFOIJGYGALIO-MXWKQRLJSA-N 2 2 216.325 -0.077 20 0 BBADLP CC(C)([NH3+])C[NH2+]CC(=O)NCC(F)(F)F ZINC000393689853 259709092 /nfs/dbraw/zinc/70/90/92/259709092.db2.gz JVITUARAJRZRNW-UHFFFAOYSA-N 2 2 227.230 -0.008 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H](C)O ZINC000393738730 357294757 /nfs/dbraw/zinc/29/47/57/357294757.db2.gz AIJORMYPVZUMHR-GHMZBOCLSA-N 2 2 234.340 -0.762 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H](C)O ZINC000393738730 357294753 /nfs/dbraw/zinc/29/47/53/357294753.db2.gz AIJORMYPVZUMHR-GHMZBOCLSA-N 2 2 234.340 -0.762 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H](C)O ZINC000393738730 357294751 /nfs/dbraw/zinc/29/47/51/357294751.db2.gz AIJORMYPVZUMHR-GHMZBOCLSA-N 2 2 234.340 -0.762 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@@H](C)O ZINC000393738730 357294747 /nfs/dbraw/zinc/29/47/47/357294747.db2.gz AIJORMYPVZUMHR-GHMZBOCLSA-N 2 2 234.340 -0.762 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H](C)O ZINC000393738731 357294787 /nfs/dbraw/zinc/29/47/87/357294787.db2.gz AIJORMYPVZUMHR-MNOVXSKESA-N 2 2 234.340 -0.762 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H](C)O ZINC000393738731 357294784 /nfs/dbraw/zinc/29/47/84/357294784.db2.gz AIJORMYPVZUMHR-MNOVXSKESA-N 2 2 234.340 -0.762 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H](C)O ZINC000393738731 357294782 /nfs/dbraw/zinc/29/47/82/357294782.db2.gz AIJORMYPVZUMHR-MNOVXSKESA-N 2 2 234.340 -0.762 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H](C)O ZINC000393738731 357294778 /nfs/dbraw/zinc/29/47/78/357294778.db2.gz AIJORMYPVZUMHR-MNOVXSKESA-N 2 2 234.340 -0.762 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H](C)O ZINC000393738732 487577554 /nfs/dbraw/zinc/57/75/54/487577554.db2.gz AIJORMYPVZUMHR-QWRGUYRKSA-N 2 2 234.340 -0.762 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H](C)O ZINC000393738732 487577550 /nfs/dbraw/zinc/57/75/50/487577550.db2.gz AIJORMYPVZUMHR-QWRGUYRKSA-N 2 2 234.340 -0.762 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H](C)O ZINC000393738732 487577548 /nfs/dbraw/zinc/57/75/48/487577548.db2.gz AIJORMYPVZUMHR-QWRGUYRKSA-N 2 2 234.340 -0.762 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H](C)O ZINC000393738732 487577543 /nfs/dbraw/zinc/57/75/43/487577543.db2.gz AIJORMYPVZUMHR-QWRGUYRKSA-N 2 2 234.340 -0.762 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H](C)O ZINC000393738733 487578011 /nfs/dbraw/zinc/57/80/11/487578011.db2.gz AIJORMYPVZUMHR-WDEREUQCSA-N 2 2 234.340 -0.762 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H](C)O ZINC000393738733 487578006 /nfs/dbraw/zinc/57/80/06/487578006.db2.gz AIJORMYPVZUMHR-WDEREUQCSA-N 2 2 234.340 -0.762 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H](C)O ZINC000393738733 487577998 /nfs/dbraw/zinc/57/79/98/487577998.db2.gz AIJORMYPVZUMHR-WDEREUQCSA-N 2 2 234.340 -0.762 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H](C)O ZINC000393738733 487577993 /nfs/dbraw/zinc/57/79/93/487577993.db2.gz AIJORMYPVZUMHR-WDEREUQCSA-N 2 2 234.340 -0.762 20 0 BBADLP C[N@H+]1CCN(Cc2cc[nH]n2)[C@@H](C[NH3+])C1 ZINC000393769828 357297740 /nfs/dbraw/zinc/29/77/40/357297740.db2.gz GNVHGBLFFAEVST-JTQLQIEISA-N 2 2 209.297 -0.516 20 0 BBADLP C[N@@H+]1CCN(Cc2cc[nH]n2)[C@@H](C[NH3+])C1 ZINC000393769828 357297738 /nfs/dbraw/zinc/29/77/38/357297738.db2.gz GNVHGBLFFAEVST-JTQLQIEISA-N 2 2 209.297 -0.516 20 0 BBADLP C[N@H+]1CCN(Cc2cc[nH]n2)[C@H](C[NH3+])C1 ZINC000393769829 357297908 /nfs/dbraw/zinc/29/79/08/357297908.db2.gz GNVHGBLFFAEVST-SNVBAGLBSA-N 2 2 209.297 -0.516 20 0 BBADLP C[N@@H+]1CCN(Cc2cc[nH]n2)[C@H](C[NH3+])C1 ZINC000393769829 357297903 /nfs/dbraw/zinc/29/79/03/357297903.db2.gz GNVHGBLFFAEVST-SNVBAGLBSA-N 2 2 209.297 -0.516 20 0 BBADLP C[NH2+][C@@H](C)c1cn(CC[NH+]2CCOCC2)nn1 ZINC000393828222 410764098 /nfs/dbraw/zinc/76/40/98/410764098.db2.gz IZISHBXYSIPTRV-JTQLQIEISA-N 2 2 239.323 -0.109 20 0 BBADLP C[NH2+][C@H](C)c1cn(CC[NH+]2CCOCC2)nn1 ZINC000393828225 410764209 /nfs/dbraw/zinc/76/42/09/410764209.db2.gz IZISHBXYSIPTRV-SNVBAGLBSA-N 2 2 239.323 -0.109 20 0 BBADLP COC[C@@]1(C(=O)NCc2c[nH]c[nH+]2)CC[NH2+]C1 ZINC000393833181 410759500 /nfs/dbraw/zinc/75/95/00/410759500.db2.gz LRIMMEKYDPFFGN-LLVKDONJSA-N 2 2 238.291 -0.348 20 0 BBADLP COC[C@@]1(C(=O)NCc2c[nH+]c[nH]2)CC[NH2+]C1 ZINC000393833181 410759494 /nfs/dbraw/zinc/75/94/94/410759494.db2.gz LRIMMEKYDPFFGN-LLVKDONJSA-N 2 2 238.291 -0.348 20 0 BBADLP COC[C@]1(C(=O)NCc2c[nH]c[nH+]2)CC[NH2+]C1 ZINC000393833184 410759858 /nfs/dbraw/zinc/75/98/58/410759858.db2.gz LRIMMEKYDPFFGN-NSHDSACASA-N 2 2 238.291 -0.348 20 0 BBADLP COC[C@]1(C(=O)NCc2c[nH+]c[nH]2)CC[NH2+]C1 ZINC000393833184 410759853 /nfs/dbraw/zinc/75/98/53/410759853.db2.gz LRIMMEKYDPFFGN-NSHDSACASA-N 2 2 238.291 -0.348 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](CCO)C1CC1 ZINC000393869912 388444691 /nfs/dbraw/zinc/44/46/91/388444691.db2.gz XCPMCQWBMHFBGE-GFCCVEGCSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](CCO)C1CC1 ZINC000393869912 388444686 /nfs/dbraw/zinc/44/46/86/388444686.db2.gz XCPMCQWBMHFBGE-GFCCVEGCSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](CCO)C1CC1 ZINC000393869912 388444683 /nfs/dbraw/zinc/44/46/83/388444683.db2.gz XCPMCQWBMHFBGE-GFCCVEGCSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](CCO)C1CC1 ZINC000393869914 388445159 /nfs/dbraw/zinc/44/51/59/388445159.db2.gz XCPMCQWBMHFBGE-LBPRGKRZSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](CCO)C1CC1 ZINC000393869914 388445155 /nfs/dbraw/zinc/44/51/55/388445155.db2.gz XCPMCQWBMHFBGE-LBPRGKRZSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+](CCO)C1CC1 ZINC000393869914 388445153 /nfs/dbraw/zinc/44/51/53/388445153.db2.gz XCPMCQWBMHFBGE-LBPRGKRZSA-N 2 2 246.351 -0.618 20 0 BBADLP Cn1nccc1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000393872442 410762454 /nfs/dbraw/zinc/76/24/54/410762454.db2.gz AGRFIUADOMEUGT-GFCCVEGCSA-N 2 2 238.335 -0.035 20 0 BBADLP Cn1nccc1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000393872442 410762449 /nfs/dbraw/zinc/76/24/49/410762449.db2.gz AGRFIUADOMEUGT-GFCCVEGCSA-N 2 2 238.335 -0.035 20 0 BBADLP Cn1nccc1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000393872443 410763594 /nfs/dbraw/zinc/76/35/94/410763594.db2.gz AGRFIUADOMEUGT-LBPRGKRZSA-N 2 2 238.335 -0.035 20 0 BBADLP Cn1nccc1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000393872443 410763586 /nfs/dbraw/zinc/76/35/86/410763586.db2.gz AGRFIUADOMEUGT-LBPRGKRZSA-N 2 2 238.335 -0.035 20 0 BBADLP Cc1nc(N2CC[NH+](C3CC3)CC2)nc(N)[nH+]1 ZINC000393879503 411963164 /nfs/dbraw/zinc/96/31/64/411963164.db2.gz KRNAJTRVWJCDTO-UHFFFAOYSA-N 2 2 234.307 0.047 20 0 BBADLP C[N@@H+](CCOCCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000393921807 711179455 /nfs/dbraw/zinc/17/94/55/711179455.db2.gz BTXNMACQUORGSO-GFCCVEGCSA-N 2 2 246.351 -0.616 20 0 BBADLP C[N@H+](CCOCCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000393921807 711179454 /nfs/dbraw/zinc/17/94/54/711179454.db2.gz BTXNMACQUORGSO-GFCCVEGCSA-N 2 2 246.351 -0.616 20 0 BBADLP C[N@@H+](CCOCCO)C[C@H](O)C[NH+]1CCCC1 ZINC000393921808 711179348 /nfs/dbraw/zinc/17/93/48/711179348.db2.gz BTXNMACQUORGSO-LBPRGKRZSA-N 2 2 246.351 -0.616 20 0 BBADLP C[N@H+](CCOCCO)C[C@H](O)C[NH+]1CCCC1 ZINC000393921808 711179347 /nfs/dbraw/zinc/17/93/47/711179347.db2.gz BTXNMACQUORGSO-LBPRGKRZSA-N 2 2 246.351 -0.616 20 0 BBADLP C[C@@H]([NH3+])CC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394378642 487661377 /nfs/dbraw/zinc/66/13/77/487661377.db2.gz ALAATNBJGXJJQC-GHMZBOCLSA-N 2 2 240.351 -0.770 20 0 BBADLP C[C@@H]([NH3+])CC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394378642 487661374 /nfs/dbraw/zinc/66/13/74/487661374.db2.gz ALAATNBJGXJJQC-GHMZBOCLSA-N 2 2 240.351 -0.770 20 0 BBADLP C[C@@H]([NH3+])CC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394378643 490480022 /nfs/dbraw/zinc/48/00/22/490480022.db2.gz ALAATNBJGXJJQC-MNOVXSKESA-N 2 2 240.351 -0.770 20 0 BBADLP C[C@@H]([NH3+])CC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394378643 490480017 /nfs/dbraw/zinc/48/00/17/490480017.db2.gz ALAATNBJGXJJQC-MNOVXSKESA-N 2 2 240.351 -0.770 20 0 BBADLP C[C@H]([NH3+])CC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394378644 358040418 /nfs/dbraw/zinc/04/04/18/358040418.db2.gz ALAATNBJGXJJQC-QWRGUYRKSA-N 2 2 240.351 -0.770 20 0 BBADLP C[C@H]([NH3+])CC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394378644 358040412 /nfs/dbraw/zinc/04/04/12/358040412.db2.gz ALAATNBJGXJJQC-QWRGUYRKSA-N 2 2 240.351 -0.770 20 0 BBADLP C[C@H]([NH3+])CC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394378645 358040251 /nfs/dbraw/zinc/04/02/51/358040251.db2.gz ALAATNBJGXJJQC-WDEREUQCSA-N 2 2 240.351 -0.770 20 0 BBADLP C[C@H]([NH3+])CC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394378645 358040250 /nfs/dbraw/zinc/04/02/50/358040250.db2.gz ALAATNBJGXJJQC-WDEREUQCSA-N 2 2 240.351 -0.770 20 0 BBADLP [NH3+]CCCC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394381346 487669849 /nfs/dbraw/zinc/66/98/49/487669849.db2.gz LERQBOQAWJWVNY-LLVKDONJSA-N 2 2 240.351 -0.769 20 0 BBADLP [NH3+]CCCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394381346 487669842 /nfs/dbraw/zinc/66/98/42/487669842.db2.gz LERQBOQAWJWVNY-LLVKDONJSA-N 2 2 240.351 -0.769 20 0 BBADLP [NH3+]CCCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394381347 487669602 /nfs/dbraw/zinc/66/96/02/487669602.db2.gz LERQBOQAWJWVNY-NSHDSACASA-N 2 2 240.351 -0.769 20 0 BBADLP [NH3+]CCCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394381347 487669596 /nfs/dbraw/zinc/66/95/96/487669596.db2.gz LERQBOQAWJWVNY-NSHDSACASA-N 2 2 240.351 -0.769 20 0 BBADLP C[NH2+]CCC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394381979 487669409 /nfs/dbraw/zinc/66/94/09/487669409.db2.gz OLLHUJFIUPLHRE-LLVKDONJSA-N 2 2 240.351 -0.898 20 0 BBADLP C[NH2+]CCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394381979 487669408 /nfs/dbraw/zinc/66/94/08/487669408.db2.gz OLLHUJFIUPLHRE-LLVKDONJSA-N 2 2 240.351 -0.898 20 0 BBADLP C[NH2+]CCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394381980 487669670 /nfs/dbraw/zinc/66/96/70/487669670.db2.gz OLLHUJFIUPLHRE-NSHDSACASA-N 2 2 240.351 -0.898 20 0 BBADLP C[NH2+]CCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394381980 487669663 /nfs/dbraw/zinc/66/96/63/487669663.db2.gz OLLHUJFIUPLHRE-NSHDSACASA-N 2 2 240.351 -0.898 20 0 BBADLP COC[C@](C)(O)C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000394626465 357364704 /nfs/dbraw/zinc/36/47/04/357364704.db2.gz GDQOJTGBNGOGLO-GRYCIOLGSA-N 2 2 246.351 -0.260 20 0 BBADLP COC[C@](C)(O)C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000394626469 357365184 /nfs/dbraw/zinc/36/51/84/357365184.db2.gz GDQOJTGBNGOGLO-IJLUTSLNSA-N 2 2 246.351 -0.260 20 0 BBADLP COC[C@](C)(O)C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000394626473 357364786 /nfs/dbraw/zinc/36/47/86/357364786.db2.gz GDQOJTGBNGOGLO-QJPTWQEYSA-N 2 2 246.351 -0.260 20 0 BBADLP COC[C@](C)(O)C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000394626476 357365364 /nfs/dbraw/zinc/36/53/64/357365364.db2.gz GDQOJTGBNGOGLO-SDDRHHMPSA-N 2 2 246.351 -0.260 20 0 BBADLP Cc1nc(NC[C@@H]2C[NH2+]CCN2C)cc[nH+]1 ZINC000394754918 490101839 /nfs/dbraw/zinc/10/18/39/490101839.db2.gz XHDSAWZKTSWHGX-JTQLQIEISA-N 2 2 221.308 0.101 20 0 BBADLP Cc1nc(NC[C@H]2C[NH2+]CCN2C)cc[nH+]1 ZINC000394754919 490101580 /nfs/dbraw/zinc/10/15/80/490101580.db2.gz XHDSAWZKTSWHGX-SNVBAGLBSA-N 2 2 221.308 0.101 20 0 BBADLP Cc1cc(NC[C@@H]2C[NH2+]CCN2C)nc[nH+]1 ZINC000394755739 411650000 /nfs/dbraw/zinc/65/00/00/411650000.db2.gz XOCQDKOZRBUHHG-JTQLQIEISA-N 2 2 221.308 0.101 20 0 BBADLP Cc1cc(NC[C@H]2C[NH2+]CCN2C)nc[nH+]1 ZINC000394755740 411652733 /nfs/dbraw/zinc/65/27/33/411652733.db2.gz XOCQDKOZRBUHHG-SNVBAGLBSA-N 2 2 221.308 0.101 20 0 BBADLP Cn1nncc1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000394794024 410820931 /nfs/dbraw/zinc/82/09/31/410820931.db2.gz AHTBNRYCXWMYAV-UHFFFAOYSA-N 2 2 238.339 -0.848 20 0 BBADLP Cn1nncc1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000394794024 410820920 /nfs/dbraw/zinc/82/09/20/410820920.db2.gz AHTBNRYCXWMYAV-UHFFFAOYSA-N 2 2 238.339 -0.848 20 0 BBADLP Cn1nncc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000394909663 323155357 /nfs/dbraw/zinc/15/53/57/323155357.db2.gz TZVUPWSKRGLSLE-GXSJLCMTSA-N 2 2 221.308 -0.001 20 0 BBADLP Cn1nncc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000394909663 323155356 /nfs/dbraw/zinc/15/53/56/323155356.db2.gz TZVUPWSKRGLSLE-GXSJLCMTSA-N 2 2 221.308 -0.001 20 0 BBADLP Cn1nncc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000394909665 323155408 /nfs/dbraw/zinc/15/54/08/323155408.db2.gz TZVUPWSKRGLSLE-KOLCDFICSA-N 2 2 221.308 -0.001 20 0 BBADLP Cn1nncc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000394909665 323155407 /nfs/dbraw/zinc/15/54/07/323155407.db2.gz TZVUPWSKRGLSLE-KOLCDFICSA-N 2 2 221.308 -0.001 20 0 BBADLP Cn1nncc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000394909667 323155424 /nfs/dbraw/zinc/15/54/24/323155424.db2.gz TZVUPWSKRGLSLE-MWLCHTKSSA-N 2 2 221.308 -0.001 20 0 BBADLP Cn1nncc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000394909667 323155423 /nfs/dbraw/zinc/15/54/23/323155423.db2.gz TZVUPWSKRGLSLE-MWLCHTKSSA-N 2 2 221.308 -0.001 20 0 BBADLP Cn1nncc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000394909670 323155455 /nfs/dbraw/zinc/15/54/55/323155455.db2.gz TZVUPWSKRGLSLE-ONGXEEELSA-N 2 2 221.308 -0.001 20 0 BBADLP Cn1nncc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000394909670 323155454 /nfs/dbraw/zinc/15/54/54/323155454.db2.gz TZVUPWSKRGLSLE-ONGXEEELSA-N 2 2 221.308 -0.001 20 0 BBADLP COCCCNC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000395231907 323222391 /nfs/dbraw/zinc/22/23/91/323222391.db2.gz OCQVKQGJELPNPV-UHFFFAOYSA-N 2 2 229.324 -0.439 20 0 BBADLP COCCCNC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000395231907 323222390 /nfs/dbraw/zinc/22/23/90/323222390.db2.gz OCQVKQGJELPNPV-UHFFFAOYSA-N 2 2 229.324 -0.439 20 0 BBADLP C[N@@H+](CC(=O)N1CCOCC1)C1CC([NH3+])C1 ZINC000395267686 357430484 /nfs/dbraw/zinc/43/04/84/357430484.db2.gz ZNWBWPGEBTZIGT-UHFFFAOYSA-N 2 2 227.308 -0.733 20 0 BBADLP C[N@H+](CC(=O)N1CCOCC1)C1CC([NH3+])C1 ZINC000395267686 357430482 /nfs/dbraw/zinc/43/04/82/357430482.db2.gz ZNWBWPGEBTZIGT-UHFFFAOYSA-N 2 2 227.308 -0.733 20 0 BBADLP CO[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@H]1O ZINC000395276915 711207496 /nfs/dbraw/zinc/20/74/96/711207496.db2.gz DPLMPMKZFFERSO-IJLUTSLNSA-N 2 2 244.335 -0.865 20 0 BBADLP CO[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@H]1O ZINC000395276915 711207494 /nfs/dbraw/zinc/20/74/94/711207494.db2.gz DPLMPMKZFFERSO-IJLUTSLNSA-N 2 2 244.335 -0.865 20 0 BBADLP CO[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@H]1O ZINC000395276921 711207623 /nfs/dbraw/zinc/20/76/23/711207623.db2.gz DPLMPMKZFFERSO-QJPTWQEYSA-N 2 2 244.335 -0.865 20 0 BBADLP CO[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@H]1O ZINC000395276921 711207618 /nfs/dbraw/zinc/20/76/18/711207618.db2.gz DPLMPMKZFFERSO-QJPTWQEYSA-N 2 2 244.335 -0.865 20 0 BBADLP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000395331971 357425283 /nfs/dbraw/zinc/42/52/83/357425283.db2.gz ZLAVJBANQBGVMB-LLVKDONJSA-N 2 2 241.335 -0.925 20 0 BBADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000395331971 357425281 /nfs/dbraw/zinc/42/52/81/357425281.db2.gz ZLAVJBANQBGVMB-LLVKDONJSA-N 2 2 241.335 -0.925 20 0 BBADLP C[N@H+]1CC[C@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000395331973 357425182 /nfs/dbraw/zinc/42/51/82/357425182.db2.gz ZLAVJBANQBGVMB-NSHDSACASA-N 2 2 241.335 -0.925 20 0 BBADLP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000395331973 357425179 /nfs/dbraw/zinc/42/51/79/357425179.db2.gz ZLAVJBANQBGVMB-NSHDSACASA-N 2 2 241.335 -0.925 20 0 BBADLP COCC(COC)[N@H+]1CCC[NH2+]CC1 ZINC000395378608 711209855 /nfs/dbraw/zinc/20/98/55/711209855.db2.gz KPFQOFMBFGONTF-UHFFFAOYSA-N 2 2 202.298 -0.057 20 0 BBADLP COCC(COC)[N@@H+]1CCC[NH2+]CC1 ZINC000395378608 711209853 /nfs/dbraw/zinc/20/98/53/711209853.db2.gz KPFQOFMBFGONTF-UHFFFAOYSA-N 2 2 202.298 -0.057 20 0 BBADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCOCCO ZINC000396606550 711354638 /nfs/dbraw/zinc/35/46/38/711354638.db2.gz ZHUHDJMFFFZJND-NXEZZACHSA-N 2 2 202.298 -0.275 20 0 BBADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCOCCO ZINC000396606552 711355005 /nfs/dbraw/zinc/35/50/05/711355005.db2.gz ZHUHDJMFFFZJND-UWVGGRQHSA-N 2 2 202.298 -0.275 20 0 BBADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCOCCO ZINC000396606553 711355875 /nfs/dbraw/zinc/35/58/75/711355875.db2.gz ZHUHDJMFFFZJND-VHSXEESVSA-N 2 2 202.298 -0.275 20 0 BBADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCOCCO ZINC000396606554 711355337 /nfs/dbraw/zinc/35/53/37/711355337.db2.gz ZHUHDJMFFFZJND-ZJUUUORDSA-N 2 2 202.298 -0.275 20 0 BBADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000396659409 711703212 /nfs/dbraw/zinc/70/32/12/711703212.db2.gz GVIWKZNKEYMOST-AEJSXWLSSA-N 2 2 211.309 -0.053 20 0 BBADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CC(=O)N(C)C1 ZINC000396659410 710907259 /nfs/dbraw/zinc/90/72/59/710907259.db2.gz GVIWKZNKEYMOST-GUBZILKMSA-N 2 2 211.309 -0.053 20 0 BBADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000396659411 710906966 /nfs/dbraw/zinc/90/69/66/710906966.db2.gz GVIWKZNKEYMOST-IVZWLZJFSA-N 2 2 211.309 -0.053 20 0 BBADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CC(=O)N(C)C1 ZINC000396659413 710907929 /nfs/dbraw/zinc/90/79/29/710907929.db2.gz GVIWKZNKEYMOST-LPEHRKFASA-N 2 2 211.309 -0.053 20 0 BBADLP CON(C)C(=O)C[NH2+]C1CC[NH+](C)CC1 ZINC000397536113 711385205 /nfs/dbraw/zinc/38/52/05/711385205.db2.gz QKYGQIKCWUJUQI-UHFFFAOYSA-N 2 2 215.297 -0.310 20 0 BBADLP Cc1nc(NCC2([NH+](C)C)CC2)nc(N)[nH+]1 ZINC000397852041 411942344 /nfs/dbraw/zinc/94/23/44/411942344.db2.gz KGYXRMBBSQWIIU-UHFFFAOYSA-N 2 2 222.296 -0.310 20 0 BBADLP COc1c(N)[nH+]cnc1NCC1([NH+](C)C)CC1 ZINC000397962946 411679569 /nfs/dbraw/zinc/67/95/69/411679569.db2.gz IRMNRDBKKCGORQ-UHFFFAOYSA-N 2 2 237.307 0.574 20 0 BBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CC1([NH3+])CC1 ZINC000398059479 488201398 /nfs/dbraw/zinc/20/13/98/488201398.db2.gz FSMDNQUAVFUSIN-JTQLQIEISA-N 2 2 241.335 -0.295 20 0 BBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CC1([NH3+])CC1 ZINC000398059482 488201444 /nfs/dbraw/zinc/20/14/44/488201444.db2.gz FSMDNQUAVFUSIN-SNVBAGLBSA-N 2 2 241.335 -0.295 20 0 BBADLP [NH3+]C1(CC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000398083124 487602884 /nfs/dbraw/zinc/60/28/84/487602884.db2.gz KTYJYFPFIYWUIF-UHFFFAOYSA-N 2 2 227.308 -0.684 20 0 BBADLP [NH3+]C1(CC(=O)NCCn2cc[nH+]c2)CC1 ZINC000398153336 488212934 /nfs/dbraw/zinc/21/29/34/488212934.db2.gz HJMNZFKEUVZBKP-UHFFFAOYSA-N 2 2 208.265 -0.119 20 0 BBADLP [NH3+][C@@H](C(=O)NCC[NH+]1CCOCC1)C1CCC1 ZINC000399078897 411011381 /nfs/dbraw/zinc/01/13/81/411011381.db2.gz OVEXLYKCXWIMAW-LLVKDONJSA-N 2 2 241.335 -0.438 20 0 BBADLP [NH3+][C@H](C(=O)NCC[NH+]1CCOCC1)C1CCC1 ZINC000399078898 411011923 /nfs/dbraw/zinc/01/19/23/411011923.db2.gz OVEXLYKCXWIMAW-NSHDSACASA-N 2 2 241.335 -0.438 20 0 BBADLP [NH3+][C@@H](C(=O)N1CC[NH+](CCO)CC1)C1CCC1 ZINC000399085636 386462553 /nfs/dbraw/zinc/46/25/53/386462553.db2.gz RFHPWZXBKAEXQX-LLVKDONJSA-N 2 2 241.335 -0.750 20 0 BBADLP [NH3+][C@H](C(=O)N1CC[NH+](CCO)CC1)C1CCC1 ZINC000399085638 386462871 /nfs/dbraw/zinc/46/28/71/386462871.db2.gz RFHPWZXBKAEXQX-NSHDSACASA-N 2 2 241.335 -0.750 20 0 BBADLP CC1(C(=O)NCCn2cc[nH+]c2)C[NH2+]C1 ZINC000399142289 357896844 /nfs/dbraw/zinc/89/68/44/357896844.db2.gz BTPIIENEILWPEN-UHFFFAOYSA-N 2 2 208.265 -0.391 20 0 BBADLP CC1(C(=O)NCCc2[nH]cc[nH+]2)C[NH2+]C1 ZINC000399146045 411019796 /nfs/dbraw/zinc/01/97/96/411019796.db2.gz DVFJCINGDPLAGJ-UHFFFAOYSA-N 2 2 208.265 -0.322 20 0 BBADLP CC1(C(=O)NCC[NH+]2CCOCC2)C[NH2+]C1 ZINC000399188438 386442517 /nfs/dbraw/zinc/44/25/17/386442517.db2.gz HLICBLWWOUEXGP-UHFFFAOYSA-N 2 2 227.308 -0.956 20 0 BBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C1(C)C[NH2+]C1 ZINC000399190959 367896991 /nfs/dbraw/zinc/89/69/91/367896991.db2.gz YEFSHTPVHVEXMY-UHFFFAOYSA-N 2 2 208.265 -0.022 20 0 BBADLP C[C@H]1COCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000399288626 711746741 /nfs/dbraw/zinc/74/67/41/711746741.db2.gz WOQKZPTYGRGYLE-GHMZBOCLSA-N 2 2 214.309 -0.057 20 0 BBADLP C[C@H]1COCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000399288626 711746739 /nfs/dbraw/zinc/74/67/39/711746739.db2.gz WOQKZPTYGRGYLE-GHMZBOCLSA-N 2 2 214.309 -0.057 20 0 BBADLP C[C@H]1COCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000399288627 711427731 /nfs/dbraw/zinc/42/77/31/711427731.db2.gz WOQKZPTYGRGYLE-MNOVXSKESA-N 2 2 214.309 -0.057 20 0 BBADLP C[C@H]1COCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000399288627 711427729 /nfs/dbraw/zinc/42/77/29/711427729.db2.gz WOQKZPTYGRGYLE-MNOVXSKESA-N 2 2 214.309 -0.057 20 0 BBADLP C[C@@H]1COCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000399288628 711427310 /nfs/dbraw/zinc/42/73/10/711427310.db2.gz WOQKZPTYGRGYLE-QWRGUYRKSA-N 2 2 214.309 -0.057 20 0 BBADLP C[C@@H]1COCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000399288628 711427308 /nfs/dbraw/zinc/42/73/08/711427308.db2.gz WOQKZPTYGRGYLE-QWRGUYRKSA-N 2 2 214.309 -0.057 20 0 BBADLP C[C@@H]1COCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000399288630 711427893 /nfs/dbraw/zinc/42/78/93/711427893.db2.gz WOQKZPTYGRGYLE-WDEREUQCSA-N 2 2 214.309 -0.057 20 0 BBADLP C[C@@H]1COCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000399288630 711427889 /nfs/dbraw/zinc/42/78/89/711427889.db2.gz WOQKZPTYGRGYLE-WDEREUQCSA-N 2 2 214.309 -0.057 20 0 BBADLP CN(Cc1[nH+]ccn1C)C(=O)C1(C)C[NH2+]C1 ZINC000399401852 357906514 /nfs/dbraw/zinc/90/65/14/357906514.db2.gz GXBDTPIMPVDZOH-UHFFFAOYSA-N 2 2 222.292 -0.012 20 0 BBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C1(C)C[NH2+]C1 ZINC000399408479 357906652 /nfs/dbraw/zinc/90/66/52/357906652.db2.gz JOVAJPKTAGWCEB-SECBINFHSA-N 2 2 222.292 -0.003 20 0 BBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(C)C[NH2+]C1 ZINC000399408480 357906637 /nfs/dbraw/zinc/90/66/37/357906637.db2.gz JOVAJPKTAGWCEB-VIFPVBQESA-N 2 2 222.292 -0.003 20 0 BBADLP CC1(C(=O)NCCCn2cc[nH+]c2)C[NH2+]C1 ZINC000399423940 357906477 /nfs/dbraw/zinc/90/64/77/357906477.db2.gz OOGVZZFTRFUVTL-UHFFFAOYSA-N 2 2 222.292 -0.001 20 0 BBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C1(C)C[NH2+]C1 ZINC000399477972 386964164 /nfs/dbraw/zinc/96/41/64/386964164.db2.gz OVONOBSWPSJQMO-JTQLQIEISA-N 2 2 241.335 -0.567 20 0 BBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C1(C)C[NH2+]C1 ZINC000399477974 386963192 /nfs/dbraw/zinc/96/31/92/386963192.db2.gz OVONOBSWPSJQMO-SNVBAGLBSA-N 2 2 241.335 -0.567 20 0 BBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCOC[C@@H](O)C1 ZINC000399968677 487499187 /nfs/dbraw/zinc/49/91/87/487499187.db2.gz HTFYISMTXSKNAO-NEPJUHHUSA-N 2 2 246.351 -0.619 20 0 BBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCOC[C@@H](O)C1 ZINC000399968677 487499184 /nfs/dbraw/zinc/49/91/84/487499184.db2.gz HTFYISMTXSKNAO-NEPJUHHUSA-N 2 2 246.351 -0.619 20 0 BBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCOC[C@@H](O)C1 ZINC000399968677 487499181 /nfs/dbraw/zinc/49/91/81/487499181.db2.gz HTFYISMTXSKNAO-NEPJUHHUSA-N 2 2 246.351 -0.619 20 0 BBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCOC[C@@H](O)C1 ZINC000399968677 487499179 /nfs/dbraw/zinc/49/91/79/487499179.db2.gz HTFYISMTXSKNAO-NEPJUHHUSA-N 2 2 246.351 -0.619 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCOC[C@H](O)C1 ZINC000399968678 487499347 /nfs/dbraw/zinc/49/93/47/487499347.db2.gz HTFYISMTXSKNAO-NWDGAFQWSA-N 2 2 246.351 -0.619 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCOC[C@H](O)C1 ZINC000399968678 487499342 /nfs/dbraw/zinc/49/93/42/487499342.db2.gz HTFYISMTXSKNAO-NWDGAFQWSA-N 2 2 246.351 -0.619 20 0 BBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCOC[C@H](O)C1 ZINC000399968678 487499336 /nfs/dbraw/zinc/49/93/36/487499336.db2.gz HTFYISMTXSKNAO-NWDGAFQWSA-N 2 2 246.351 -0.619 20 0 BBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCOC[C@H](O)C1 ZINC000399968678 487499331 /nfs/dbraw/zinc/49/93/31/487499331.db2.gz HTFYISMTXSKNAO-NWDGAFQWSA-N 2 2 246.351 -0.619 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCOC[C@@H](O)C1 ZINC000399968679 487499847 /nfs/dbraw/zinc/49/98/47/487499847.db2.gz HTFYISMTXSKNAO-RYUDHWBXSA-N 2 2 246.351 -0.619 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCOC[C@@H](O)C1 ZINC000399968679 487499842 /nfs/dbraw/zinc/49/98/42/487499842.db2.gz HTFYISMTXSKNAO-RYUDHWBXSA-N 2 2 246.351 -0.619 20 0 BBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCOC[C@@H](O)C1 ZINC000399968679 487499836 /nfs/dbraw/zinc/49/98/36/487499836.db2.gz HTFYISMTXSKNAO-RYUDHWBXSA-N 2 2 246.351 -0.619 20 0 BBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCOC[C@@H](O)C1 ZINC000399968679 487499833 /nfs/dbraw/zinc/49/98/33/487499833.db2.gz HTFYISMTXSKNAO-RYUDHWBXSA-N 2 2 246.351 -0.619 20 0 BBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCOC[C@H](O)C1 ZINC000399968680 487499566 /nfs/dbraw/zinc/49/95/66/487499566.db2.gz HTFYISMTXSKNAO-VXGBXAGGSA-N 2 2 246.351 -0.619 20 0 BBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCOC[C@H](O)C1 ZINC000399968680 487499561 /nfs/dbraw/zinc/49/95/61/487499561.db2.gz HTFYISMTXSKNAO-VXGBXAGGSA-N 2 2 246.351 -0.619 20 0 BBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCOC[C@H](O)C1 ZINC000399968680 487499556 /nfs/dbraw/zinc/49/95/56/487499556.db2.gz HTFYISMTXSKNAO-VXGBXAGGSA-N 2 2 246.351 -0.619 20 0 BBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCOC[C@H](O)C1 ZINC000399968680 487499548 /nfs/dbraw/zinc/49/95/48/487499548.db2.gz HTFYISMTXSKNAO-VXGBXAGGSA-N 2 2 246.351 -0.619 20 0 BBADLP CS(=O)(=O)N1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000400157529 369344500 /nfs/dbraw/zinc/34/45/00/369344500.db2.gz FINUGDJHJNILIL-NXEZZACHSA-N 2 2 247.364 -0.638 20 0 BBADLP CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000400157531 369344383 /nfs/dbraw/zinc/34/43/83/369344383.db2.gz FINUGDJHJNILIL-UWVGGRQHSA-N 2 2 247.364 -0.638 20 0 BBADLP CS(=O)(=O)N1CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000400157533 369344353 /nfs/dbraw/zinc/34/43/53/369344353.db2.gz FINUGDJHJNILIL-VHSXEESVSA-N 2 2 247.364 -0.638 20 0 BBADLP CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000400157537 369345042 /nfs/dbraw/zinc/34/50/42/369345042.db2.gz FINUGDJHJNILIL-ZJUUUORDSA-N 2 2 247.364 -0.638 20 0 BBADLP C[N@H+]1CCN(CC[C@@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000400659905 345383222 /nfs/dbraw/zinc/38/32/22/345383222.db2.gz YEPGIIHHWRIZKO-NEPJUHHUSA-N 2 2 227.352 -0.012 20 0 BBADLP C[N@@H+]1CCN(CC[C@@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000400659905 345383220 /nfs/dbraw/zinc/38/32/20/345383220.db2.gz YEPGIIHHWRIZKO-NEPJUHHUSA-N 2 2 227.352 -0.012 20 0 BBADLP C[N@H+]1CCN(CC[C@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000400659908 345383155 /nfs/dbraw/zinc/38/31/55/345383155.db2.gz YEPGIIHHWRIZKO-NWDGAFQWSA-N 2 2 227.352 -0.012 20 0 BBADLP C[N@@H+]1CCN(CC[C@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000400659908 345383154 /nfs/dbraw/zinc/38/31/54/345383154.db2.gz YEPGIIHHWRIZKO-NWDGAFQWSA-N 2 2 227.352 -0.012 20 0 BBADLP C[N@H+]1CCN(CC[C@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000400659911 345383214 /nfs/dbraw/zinc/38/32/14/345383214.db2.gz YEPGIIHHWRIZKO-RYUDHWBXSA-N 2 2 227.352 -0.012 20 0 BBADLP C[N@@H+]1CCN(CC[C@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000400659911 345383213 /nfs/dbraw/zinc/38/32/13/345383213.db2.gz YEPGIIHHWRIZKO-RYUDHWBXSA-N 2 2 227.352 -0.012 20 0 BBADLP C[N@H+]1CCN(CC[C@@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000400659912 345383026 /nfs/dbraw/zinc/38/30/26/345383026.db2.gz YEPGIIHHWRIZKO-VXGBXAGGSA-N 2 2 227.352 -0.012 20 0 BBADLP C[N@@H+]1CCN(CC[C@@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000400659912 345383024 /nfs/dbraw/zinc/38/30/24/345383024.db2.gz YEPGIIHHWRIZKO-VXGBXAGGSA-N 2 2 227.352 -0.012 20 0 BBADLP C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)[C@@H]1CCC[NH2+]1 ZINC000400675448 533980493 /nfs/dbraw/zinc/98/04/93/533980493.db2.gz VMHLRYJHYKEYNA-AEJSXWLSSA-N 2 2 211.309 -0.053 20 0 BBADLP C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)[C@@H]1CCC[NH2+]1 ZINC000400675451 226349076 /nfs/dbraw/zinc/34/90/76/226349076.db2.gz VMHLRYJHYKEYNA-GUBZILKMSA-N 2 2 211.309 -0.053 20 0 BBADLP C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)[C@H]1CCC[NH2+]1 ZINC000400675457 533980037 /nfs/dbraw/zinc/98/00/37/533980037.db2.gz VMHLRYJHYKEYNA-IVZWLZJFSA-N 2 2 211.309 -0.053 20 0 BBADLP C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)[C@H]1CCC[NH2+]1 ZINC000400675461 226348962 /nfs/dbraw/zinc/34/89/62/226348962.db2.gz VMHLRYJHYKEYNA-LPEHRKFASA-N 2 2 211.309 -0.053 20 0 BBADLP C[N@H+]1CCN(C(=O)C[C@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000401514949 384757675 /nfs/dbraw/zinc/75/76/75/384757675.db2.gz KLFGFLJHIUQBGX-GHMZBOCLSA-N 2 2 241.335 -0.486 20 0 BBADLP C[N@@H+]1CCN(C(=O)C[C@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000401514949 384757673 /nfs/dbraw/zinc/75/76/73/384757673.db2.gz KLFGFLJHIUQBGX-GHMZBOCLSA-N 2 2 241.335 -0.486 20 0 BBADLP C[N@H+]1CCN(C(=O)C[C@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000401514951 384756275 /nfs/dbraw/zinc/75/62/75/384756275.db2.gz KLFGFLJHIUQBGX-MNOVXSKESA-N 2 2 241.335 -0.486 20 0 BBADLP C[N@@H+]1CCN(C(=O)C[C@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000401514951 384756270 /nfs/dbraw/zinc/75/62/70/384756270.db2.gz KLFGFLJHIUQBGX-MNOVXSKESA-N 2 2 241.335 -0.486 20 0 BBADLP C[N@H+]1CCN(C(=O)C[C@@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000401514952 384755700 /nfs/dbraw/zinc/75/57/00/384755700.db2.gz KLFGFLJHIUQBGX-QWRGUYRKSA-N 2 2 241.335 -0.486 20 0 BBADLP C[N@@H+]1CCN(C(=O)C[C@@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000401514952 384755699 /nfs/dbraw/zinc/75/56/99/384755699.db2.gz KLFGFLJHIUQBGX-QWRGUYRKSA-N 2 2 241.335 -0.486 20 0 BBADLP C[N@H+]1CCN(C(=O)C[C@@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000401514953 384757716 /nfs/dbraw/zinc/75/77/16/384757716.db2.gz KLFGFLJHIUQBGX-WDEREUQCSA-N 2 2 241.335 -0.486 20 0 BBADLP C[N@@H+]1CCN(C(=O)C[C@@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000401514953 384757708 /nfs/dbraw/zinc/75/77/08/384757708.db2.gz KLFGFLJHIUQBGX-WDEREUQCSA-N 2 2 241.335 -0.486 20 0 BBADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)CO1 ZINC000401775933 383981384 /nfs/dbraw/zinc/98/13/84/383981384.db2.gz DCZNQFMWXBCVTI-GRYCIOLGSA-N 2 2 227.352 -0.001 20 0 BBADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)CO1 ZINC000401775933 383981378 /nfs/dbraw/zinc/98/13/78/383981378.db2.gz DCZNQFMWXBCVTI-GRYCIOLGSA-N 2 2 227.352 -0.001 20 0 BBADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)CO1 ZINC000401775935 383980734 /nfs/dbraw/zinc/98/07/34/383980734.db2.gz DCZNQFMWXBCVTI-IJLUTSLNSA-N 2 2 227.352 -0.001 20 0 BBADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)CO1 ZINC000401775935 383980725 /nfs/dbraw/zinc/98/07/25/383980725.db2.gz DCZNQFMWXBCVTI-IJLUTSLNSA-N 2 2 227.352 -0.001 20 0 BBADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)CO1 ZINC000401775936 383980396 /nfs/dbraw/zinc/98/03/96/383980396.db2.gz DCZNQFMWXBCVTI-UTUOFQBUSA-N 2 2 227.352 -0.001 20 0 BBADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)CO1 ZINC000401775936 383980391 /nfs/dbraw/zinc/98/03/91/383980391.db2.gz DCZNQFMWXBCVTI-UTUOFQBUSA-N 2 2 227.352 -0.001 20 0 BBADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)CO1 ZINC000401775938 383979643 /nfs/dbraw/zinc/97/96/43/383979643.db2.gz DCZNQFMWXBCVTI-WOPDTQHZSA-N 2 2 227.352 -0.001 20 0 BBADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)CO1 ZINC000401775938 383979636 /nfs/dbraw/zinc/97/96/36/383979636.db2.gz DCZNQFMWXBCVTI-WOPDTQHZSA-N 2 2 227.352 -0.001 20 0 BBADLP CN(C)C(=O)N1CC[NH+](CCOCC[NH3+])CC1 ZINC000401956475 348891186 /nfs/dbraw/zinc/89/11/86/348891186.db2.gz VQPGNHSUVNDCBN-UHFFFAOYSA-N 2 2 244.339 -0.739 20 0 BBADLP CN(C)C(=O)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000401959486 411182128 /nfs/dbraw/zinc/18/21/28/411182128.db2.gz YZSXXHNSKLJIJO-LLVKDONJSA-N 2 2 240.351 -0.105 20 0 BBADLP CN(C)C(=O)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000401959487 411182119 /nfs/dbraw/zinc/18/21/19/411182119.db2.gz YZSXXHNSKLJIJO-NSHDSACASA-N 2 2 240.351 -0.105 20 0 BBADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)CO1 ZINC000402090533 384460325 /nfs/dbraw/zinc/46/03/25/384460325.db2.gz SNFOYGDFHBTMBD-BBBLOLIVSA-N 2 2 202.298 -0.324 20 0 BBADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)CO1 ZINC000402090534 384458885 /nfs/dbraw/zinc/45/88/85/384458885.db2.gz SNFOYGDFHBTMBD-KXUCPTDWSA-N 2 2 202.298 -0.324 20 0 BBADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)CO1 ZINC000402090535 384459194 /nfs/dbraw/zinc/45/91/94/384459194.db2.gz SNFOYGDFHBTMBD-OPRDCNLKSA-N 2 2 202.298 -0.324 20 0 BBADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)CO1 ZINC000402090536 384460524 /nfs/dbraw/zinc/46/05/24/384460524.db2.gz SNFOYGDFHBTMBD-UTLUCORTSA-N 2 2 202.298 -0.324 20 0 BBADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CO1 ZINC000402346608 384693499 /nfs/dbraw/zinc/69/34/99/384693499.db2.gz RAABCIWEUXTJMU-GHMZBOCLSA-N 2 2 241.335 -0.473 20 0 BBADLP C[C@@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CO1 ZINC000402346620 384695075 /nfs/dbraw/zinc/69/50/75/384695075.db2.gz RAABCIWEUXTJMU-MNOVXSKESA-N 2 2 241.335 -0.473 20 0 BBADLP C[C@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CO1 ZINC000402346623 384692904 /nfs/dbraw/zinc/69/29/04/384692904.db2.gz RAABCIWEUXTJMU-QWRGUYRKSA-N 2 2 241.335 -0.473 20 0 BBADLP C[C@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CO1 ZINC000402346626 384694593 /nfs/dbraw/zinc/69/45/93/384694593.db2.gz RAABCIWEUXTJMU-WDEREUQCSA-N 2 2 241.335 -0.473 20 0 BBADLP C[N@@H+](CCc1cnccn1)C[C@H]1C[NH2+]CCO1 ZINC000402912770 488107460 /nfs/dbraw/zinc/10/74/60/488107460.db2.gz NQYWKPWRLQFHHJ-GFCCVEGCSA-N 2 2 236.319 -0.061 20 0 BBADLP C[N@H+](CCc1cnccn1)C[C@H]1C[NH2+]CCO1 ZINC000402912770 488107457 /nfs/dbraw/zinc/10/74/57/488107457.db2.gz NQYWKPWRLQFHHJ-GFCCVEGCSA-N 2 2 236.319 -0.061 20 0 BBADLP C[N@@H+](CCc1cnccn1)C[C@@H]1C[NH2+]CCO1 ZINC000402912774 488107411 /nfs/dbraw/zinc/10/74/11/488107411.db2.gz NQYWKPWRLQFHHJ-LBPRGKRZSA-N 2 2 236.319 -0.061 20 0 BBADLP C[N@H+](CCc1cnccn1)C[C@@H]1C[NH2+]CCO1 ZINC000402912774 488107409 /nfs/dbraw/zinc/10/74/09/488107409.db2.gz NQYWKPWRLQFHHJ-LBPRGKRZSA-N 2 2 236.319 -0.061 20 0 BBADLP COC1(CO)CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000402951379 488108819 /nfs/dbraw/zinc/10/88/19/488108819.db2.gz PXODHBGPMICMJZ-SECBINFHSA-N 2 2 202.298 -0.193 20 0 BBADLP COC1(CO)CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000402951833 488108756 /nfs/dbraw/zinc/10/87/56/488108756.db2.gz PXODHBGPMICMJZ-VIFPVBQESA-N 2 2 202.298 -0.193 20 0 BBADLP C[N@H+](Cc1ccns1)C[C@H](O)C[NH3+] ZINC000404470969 385016261 /nfs/dbraw/zinc/01/62/61/385016261.db2.gz ZOSUSHSFKDIWOK-SSDOTTSWSA-N 2 2 201.295 -0.106 20 0 BBADLP C[N@@H+](Cc1ccns1)C[C@H](O)C[NH3+] ZINC000404470969 385016253 /nfs/dbraw/zinc/01/62/53/385016253.db2.gz ZOSUSHSFKDIWOK-SSDOTTSWSA-N 2 2 201.295 -0.106 20 0 BBADLP C[N@H+](Cc1ccns1)C[C@@H](O)C[NH3+] ZINC000404470970 385016301 /nfs/dbraw/zinc/01/63/01/385016301.db2.gz ZOSUSHSFKDIWOK-ZETCQYMHSA-N 2 2 201.295 -0.106 20 0 BBADLP C[N@@H+](Cc1ccns1)C[C@@H](O)C[NH3+] ZINC000404470970 385016296 /nfs/dbraw/zinc/01/62/96/385016296.db2.gz ZOSUSHSFKDIWOK-ZETCQYMHSA-N 2 2 201.295 -0.106 20 0 BBADLP CCO[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1C[NH3+] ZINC000405221123 411421167 /nfs/dbraw/zinc/42/11/67/411421167.db2.gz QOJZTOIDUDKCOM-MWLCHTKSSA-N 2 2 239.323 -0.389 20 0 BBADLP CCO[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1C[NH3+] ZINC000405221123 411421164 /nfs/dbraw/zinc/42/11/64/411421164.db2.gz QOJZTOIDUDKCOM-MWLCHTKSSA-N 2 2 239.323 -0.389 20 0 BBADLP Cn1c[nH+]cc1CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405249307 411420808 /nfs/dbraw/zinc/42/08/08/411420808.db2.gz IXIUTGIXELQERM-CMPLNLGQSA-N 2 2 236.319 -0.329 20 0 BBADLP Cn1c[nH+]cc1CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405249307 411420805 /nfs/dbraw/zinc/42/08/05/411420805.db2.gz IXIUTGIXELQERM-CMPLNLGQSA-N 2 2 236.319 -0.329 20 0 BBADLP Cn1cc[nH+]c1CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405264464 411422285 /nfs/dbraw/zinc/42/22/85/411422285.db2.gz QPKVMIPVBGSLFA-WDEREUQCSA-N 2 2 236.319 -0.329 20 0 BBADLP Cn1cc[nH+]c1CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405264464 411422281 /nfs/dbraw/zinc/42/22/81/411422281.db2.gz QPKVMIPVBGSLFA-WDEREUQCSA-N 2 2 236.319 -0.329 20 0 BBADLP O[C@@H]1C[C@H]2CN(CCn3cc[nH+]c3)CC[N@H+]2C1 ZINC000405285102 411423193 /nfs/dbraw/zinc/42/31/93/411423193.db2.gz DJZOOPMCDGCBOL-NWDGAFQWSA-N 2 2 236.319 -0.366 20 0 BBADLP O[C@@H]1C[C@H]2CN(CCn3cc[nH+]c3)CC[N@@H+]2C1 ZINC000405285102 411423192 /nfs/dbraw/zinc/42/31/92/411423192.db2.gz DJZOOPMCDGCBOL-NWDGAFQWSA-N 2 2 236.319 -0.366 20 0 BBADLP Cn1nnnc1C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000405303426 385466482 /nfs/dbraw/zinc/46/64/82/385466482.db2.gz VAGAUDBZINAOJT-BQBZGAKWSA-N 2 2 210.285 -0.575 20 0 BBADLP Cn1nnnc1C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000405303428 385466558 /nfs/dbraw/zinc/46/65/58/385466558.db2.gz VAGAUDBZINAOJT-NKWVEPMBSA-N 2 2 210.285 -0.575 20 0 BBADLP Cn1nnnc1C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000405303429 385467367 /nfs/dbraw/zinc/46/73/67/385467367.db2.gz VAGAUDBZINAOJT-RNFRBKRXSA-N 2 2 210.285 -0.575 20 0 BBADLP Cn1nnnc1C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000405303430 385467266 /nfs/dbraw/zinc/46/72/66/385467266.db2.gz VAGAUDBZINAOJT-RQJHMYQMSA-N 2 2 210.285 -0.575 20 0 BBADLP CCO[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1C[NH3+] ZINC000405368458 411426454 /nfs/dbraw/zinc/42/64/54/411426454.db2.gz HXFXMGNAMVSFOF-RKDXNWHRSA-N 2 2 215.297 -0.972 20 0 BBADLP CCO[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1C[NH3+] ZINC000405368458 411426453 /nfs/dbraw/zinc/42/64/53/411426453.db2.gz HXFXMGNAMVSFOF-RKDXNWHRSA-N 2 2 215.297 -0.972 20 0 BBADLP O[C@@H]1C[C@H]2CN(Cc3[nH]cc[nH+]3)CC[N@H+]2C1 ZINC000405395837 411427695 /nfs/dbraw/zinc/42/76/95/411427695.db2.gz IKQNFSAQDHWPAD-VHSXEESVSA-N 2 2 222.292 -0.340 20 0 BBADLP O[C@@H]1C[C@H]2CN(Cc3[nH]cc[nH+]3)CC[N@@H+]2C1 ZINC000405395837 411427692 /nfs/dbraw/zinc/42/76/92/411427692.db2.gz IKQNFSAQDHWPAD-VHSXEESVSA-N 2 2 222.292 -0.340 20 0 BBADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1C[NH3+] ZINC000405402446 411427655 /nfs/dbraw/zinc/42/76/55/411427655.db2.gz WKJGJHKPMGIZBR-DJLDLDEBSA-N 2 2 215.297 -0.844 20 0 BBADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1C[NH3+] ZINC000405402446 411427654 /nfs/dbraw/zinc/42/76/54/411427654.db2.gz WKJGJHKPMGIZBR-DJLDLDEBSA-N 2 2 215.297 -0.844 20 0 BBADLP CCO[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1C[NH3+] ZINC000405402450 411427559 /nfs/dbraw/zinc/42/75/59/411427559.db2.gz WKJGJHKPMGIZBR-IWSPIJDZSA-N 2 2 215.297 -0.844 20 0 BBADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1C[NH3+] ZINC000405402450 411427557 /nfs/dbraw/zinc/42/75/57/411427557.db2.gz WKJGJHKPMGIZBR-IWSPIJDZSA-N 2 2 215.297 -0.844 20 0 BBADLP Nc1cc(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc[nH+]1 ZINC000405527358 411433019 /nfs/dbraw/zinc/43/30/19/411433019.db2.gz XCEBIFYILATWPS-NWDGAFQWSA-N 2 2 248.330 -0.255 20 0 BBADLP Nc1cc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc[nH+]1 ZINC000405527358 411433017 /nfs/dbraw/zinc/43/30/17/411433017.db2.gz XCEBIFYILATWPS-NWDGAFQWSA-N 2 2 248.330 -0.255 20 0 BBADLP CCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405527658 411433099 /nfs/dbraw/zinc/43/30/99/411433099.db2.gz LIIROGNDRJDALJ-GHMZBOCLSA-N 2 2 243.351 -0.192 20 0 BBADLP CCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405527658 411433096 /nfs/dbraw/zinc/43/30/96/411433096.db2.gz LIIROGNDRJDALJ-GHMZBOCLSA-N 2 2 243.351 -0.192 20 0 BBADLP CCO[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C[NH3+] ZINC000405530576 411433674 /nfs/dbraw/zinc/43/36/74/411433674.db2.gz MOUFRABNMIAZML-MWLCHTKSSA-N 2 2 241.335 -0.439 20 0 BBADLP CCO[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C[NH3+] ZINC000405530576 411433671 /nfs/dbraw/zinc/43/36/71/411433671.db2.gz MOUFRABNMIAZML-MWLCHTKSSA-N 2 2 241.335 -0.439 20 0 BBADLP CCO[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1C[NH3+] ZINC000405544000 411434400 /nfs/dbraw/zinc/43/44/00/411434400.db2.gz VADLRLCXOMGPNA-GHMZBOCLSA-N 2 2 243.351 -0.193 20 0 BBADLP CCO[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1C[NH3+] ZINC000405544000 411434398 /nfs/dbraw/zinc/43/43/98/411434398.db2.gz VADLRLCXOMGPNA-GHMZBOCLSA-N 2 2 243.351 -0.193 20 0 BBADLP CCNC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405839283 411442460 /nfs/dbraw/zinc/44/24/60/411442460.db2.gz DQXOQVIJPGGDSF-NXEZZACHSA-N 2 2 229.324 -0.582 20 0 BBADLP CCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405839283 411442457 /nfs/dbraw/zinc/44/24/57/411442457.db2.gz DQXOQVIJPGGDSF-NXEZZACHSA-N 2 2 229.324 -0.582 20 0 BBADLP CCO[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C[NH3+] ZINC000405873567 411444347 /nfs/dbraw/zinc/44/43/47/411444347.db2.gz RFRLNUBABMRWDA-NXEZZACHSA-N 2 2 229.324 -0.630 20 0 BBADLP CCO[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C[NH3+] ZINC000405873567 411444343 /nfs/dbraw/zinc/44/43/43/411444343.db2.gz RFRLNUBABMRWDA-NXEZZACHSA-N 2 2 229.324 -0.630 20 0 BBADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)OC)C[C@H]1C[NH3+] ZINC000405890242 369478631 /nfs/dbraw/zinc/47/86/31/369478631.db2.gz WUSZGNWVAUFUAY-IVZWLZJFSA-N 2 2 230.308 -0.157 20 0 BBADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)OC)C[C@H]1C[NH3+] ZINC000405890242 369478630 /nfs/dbraw/zinc/47/86/30/369478630.db2.gz WUSZGNWVAUFUAY-IVZWLZJFSA-N 2 2 230.308 -0.157 20 0 BBADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)OC)C[C@H]1C[NH3+] ZINC000405890250 369479049 /nfs/dbraw/zinc/47/90/49/369479049.db2.gz WUSZGNWVAUFUAY-OPRDCNLKSA-N 2 2 230.308 -0.157 20 0 BBADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)OC)C[C@H]1C[NH3+] ZINC000405890250 369479046 /nfs/dbraw/zinc/47/90/46/369479046.db2.gz WUSZGNWVAUFUAY-OPRDCNLKSA-N 2 2 230.308 -0.157 20 0 BBADLP Cn1nnnc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000408017538 397812348 /nfs/dbraw/zinc/81/23/48/397812348.db2.gz SSCDZTKGMYRCSM-UHFFFAOYSA-N 2 2 238.339 -0.016 20 0 BBADLP O=C(NCc1c[nH]c[nH+]1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000408029488 385445528 /nfs/dbraw/zinc/44/55/28/385445528.db2.gz CKPDVHAHULYTAH-LLVKDONJSA-N 2 2 249.318 -0.584 20 0 BBADLP O=C(NCc1c[nH]c[nH+]1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000408029488 385445525 /nfs/dbraw/zinc/44/55/25/385445525.db2.gz CKPDVHAHULYTAH-LLVKDONJSA-N 2 2 249.318 -0.584 20 0 BBADLP O=C(NCc1c[nH+]c[nH]1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000408029488 385445522 /nfs/dbraw/zinc/44/55/22/385445522.db2.gz CKPDVHAHULYTAH-LLVKDONJSA-N 2 2 249.318 -0.584 20 0 BBADLP O=C(NCc1c[nH+]c[nH]1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000408029488 385445520 /nfs/dbraw/zinc/44/55/20/385445520.db2.gz CKPDVHAHULYTAH-LLVKDONJSA-N 2 2 249.318 -0.584 20 0 BBADLP O=C(NCc1c[nH]c[nH+]1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000408029489 385445679 /nfs/dbraw/zinc/44/56/79/385445679.db2.gz CKPDVHAHULYTAH-NSHDSACASA-N 2 2 249.318 -0.584 20 0 BBADLP O=C(NCc1c[nH]c[nH+]1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000408029489 385445678 /nfs/dbraw/zinc/44/56/78/385445678.db2.gz CKPDVHAHULYTAH-NSHDSACASA-N 2 2 249.318 -0.584 20 0 BBADLP O=C(NCc1c[nH+]c[nH]1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000408029489 385445677 /nfs/dbraw/zinc/44/56/77/385445677.db2.gz CKPDVHAHULYTAH-NSHDSACASA-N 2 2 249.318 -0.584 20 0 BBADLP O=C(NCc1c[nH+]c[nH]1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000408029489 385445670 /nfs/dbraw/zinc/44/56/70/385445670.db2.gz CKPDVHAHULYTAH-NSHDSACASA-N 2 2 249.318 -0.584 20 0 BBADLP O=C(NCc1[nH]cc[nH+]1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000408030810 385483177 /nfs/dbraw/zinc/48/31/77/385483177.db2.gz IHKQNFJYMVBUKZ-JTQLQIEISA-N 2 2 249.318 -0.584 20 0 BBADLP O=C(NCc1[nH]cc[nH+]1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000408030810 385483174 /nfs/dbraw/zinc/48/31/74/385483174.db2.gz IHKQNFJYMVBUKZ-JTQLQIEISA-N 2 2 249.318 -0.584 20 0 BBADLP O=C(NCc1[nH]cc[nH+]1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000408030811 385482576 /nfs/dbraw/zinc/48/25/76/385482576.db2.gz IHKQNFJYMVBUKZ-SNVBAGLBSA-N 2 2 249.318 -0.584 20 0 BBADLP O=C(NCc1[nH]cc[nH+]1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000408030811 385482573 /nfs/dbraw/zinc/48/25/73/385482573.db2.gz IHKQNFJYMVBUKZ-SNVBAGLBSA-N 2 2 249.318 -0.584 20 0 BBADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000408272090 345005044 /nfs/dbraw/zinc/00/50/44/345005044.db2.gz XBRPZOSQQZXMIF-SECBINFHSA-N 2 2 238.291 -0.301 20 0 BBADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000408272090 345005043 /nfs/dbraw/zinc/00/50/43/345005043.db2.gz XBRPZOSQQZXMIF-SECBINFHSA-N 2 2 238.291 -0.301 20 0 BBADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000408272091 345005074 /nfs/dbraw/zinc/00/50/74/345005074.db2.gz XBRPZOSQQZXMIF-VIFPVBQESA-N 2 2 238.291 -0.301 20 0 BBADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000408272091 345005073 /nfs/dbraw/zinc/00/50/73/345005073.db2.gz XBRPZOSQQZXMIF-VIFPVBQESA-N 2 2 238.291 -0.301 20 0 BBADLP C[N@H+]1CCO[C@@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000408278631 345025596 /nfs/dbraw/zinc/02/55/96/345025596.db2.gz UVANSTGNBYNBSP-MRVPVSSYSA-N 2 2 224.264 -0.644 20 0 BBADLP C[N@H+]1CCO[C@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000408278638 345025613 /nfs/dbraw/zinc/02/56/13/345025613.db2.gz UVANSTGNBYNBSP-QMMMGPOBSA-N 2 2 224.264 -0.644 20 0 BBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000408432608 397985501 /nfs/dbraw/zinc/98/55/01/397985501.db2.gz HGHRPTHPRQCFOG-JTQLQIEISA-N 2 2 238.291 -0.335 20 0 BBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000408432608 397985493 /nfs/dbraw/zinc/98/54/93/397985493.db2.gz HGHRPTHPRQCFOG-JTQLQIEISA-N 2 2 238.291 -0.335 20 0 BBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000408432609 397985545 /nfs/dbraw/zinc/98/55/45/397985545.db2.gz HGHRPTHPRQCFOG-SNVBAGLBSA-N 2 2 238.291 -0.335 20 0 BBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000408432609 397985538 /nfs/dbraw/zinc/98/55/38/397985538.db2.gz HGHRPTHPRQCFOG-SNVBAGLBSA-N 2 2 238.291 -0.335 20 0 BBADLP C[N@H+]1CCO[C@@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000408434865 385264976 /nfs/dbraw/zinc/26/49/76/385264976.db2.gz JDNBXEUYKUZWDQ-SECBINFHSA-N 2 2 224.264 -0.644 20 0 BBADLP C[N@@H+]1CCO[C@@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000408434865 385264968 /nfs/dbraw/zinc/26/49/68/385264968.db2.gz JDNBXEUYKUZWDQ-SECBINFHSA-N 2 2 224.264 -0.644 20 0 BBADLP C[N@H+]1CCO[C@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000408434866 384947114 /nfs/dbraw/zinc/94/71/14/384947114.db2.gz JDNBXEUYKUZWDQ-VIFPVBQESA-N 2 2 224.264 -0.644 20 0 BBADLP C[N@@H+]1CCO[C@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000408434866 384947110 /nfs/dbraw/zinc/94/71/10/384947110.db2.gz JDNBXEUYKUZWDQ-VIFPVBQESA-N 2 2 224.264 -0.644 20 0 BBADLP CNC(=O)NC(=O)CC[NH2+]C(C)(C)C[NH+](C)C ZINC000411823547 191213422 /nfs/dbraw/zinc/21/34/22/191213422.db2.gz WGFHEWBWFBHILF-UHFFFAOYSA-N 2 2 244.339 -0.238 20 0 BBADLP CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000412836936 191317835 /nfs/dbraw/zinc/31/78/35/191317835.db2.gz JGDCMCYVYQTLCO-GHMZBOCLSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000412836936 191317833 /nfs/dbraw/zinc/31/78/33/191317833.db2.gz JGDCMCYVYQTLCO-GHMZBOCLSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000412836936 191317830 /nfs/dbraw/zinc/31/78/30/191317830.db2.gz JGDCMCYVYQTLCO-GHMZBOCLSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000412836936 191317828 /nfs/dbraw/zinc/31/78/28/191317828.db2.gz JGDCMCYVYQTLCO-GHMZBOCLSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000412836939 191319175 /nfs/dbraw/zinc/31/91/75/191319175.db2.gz JGDCMCYVYQTLCO-MNOVXSKESA-N 2 2 241.335 -0.473 20 0 BBADLP CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000412836939 191319172 /nfs/dbraw/zinc/31/91/72/191319172.db2.gz JGDCMCYVYQTLCO-MNOVXSKESA-N 2 2 241.335 -0.473 20 0 BBADLP CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000412836939 191319171 /nfs/dbraw/zinc/31/91/71/191319171.db2.gz JGDCMCYVYQTLCO-MNOVXSKESA-N 2 2 241.335 -0.473 20 0 BBADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000412836939 191319168 /nfs/dbraw/zinc/31/91/68/191319168.db2.gz JGDCMCYVYQTLCO-MNOVXSKESA-N 2 2 241.335 -0.473 20 0 BBADLP CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000412836940 191318914 /nfs/dbraw/zinc/31/89/14/191318914.db2.gz JGDCMCYVYQTLCO-QWRGUYRKSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000412836940 191318911 /nfs/dbraw/zinc/31/89/11/191318911.db2.gz JGDCMCYVYQTLCO-QWRGUYRKSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000412836940 191318908 /nfs/dbraw/zinc/31/89/08/191318908.db2.gz JGDCMCYVYQTLCO-QWRGUYRKSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000412836940 191318906 /nfs/dbraw/zinc/31/89/06/191318906.db2.gz JGDCMCYVYQTLCO-QWRGUYRKSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000412836941 191318071 /nfs/dbraw/zinc/31/80/71/191318071.db2.gz JGDCMCYVYQTLCO-WDEREUQCSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000412836941 191318068 /nfs/dbraw/zinc/31/80/68/191318068.db2.gz JGDCMCYVYQTLCO-WDEREUQCSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000412836941 191318067 /nfs/dbraw/zinc/31/80/67/191318067.db2.gz JGDCMCYVYQTLCO-WDEREUQCSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000412836941 191318065 /nfs/dbraw/zinc/31/80/65/191318065.db2.gz JGDCMCYVYQTLCO-WDEREUQCSA-N 2 2 241.335 -0.473 20 0 BBADLP C[C@@H](O)CNc1cc(NCC[NH+](C)C)nc[nH+]1 ZINC000413022409 411831537 /nfs/dbraw/zinc/83/15/37/411831537.db2.gz DOZJPDKHBWZCCG-SECBINFHSA-N 2 2 239.323 0.243 20 0 BBADLP C[C@H](O)CNc1cc(NCC[NH+](C)C)nc[nH+]1 ZINC000413022410 487572738 /nfs/dbraw/zinc/57/27/38/487572738.db2.gz DOZJPDKHBWZCCG-VIFPVBQESA-N 2 2 239.323 0.243 20 0 BBADLP C[NH+](C)CC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413965300 385916401 /nfs/dbraw/zinc/91/64/01/385916401.db2.gz HHENNGJNQKSVQG-UHFFFAOYSA-N 2 2 243.351 -0.225 20 0 BBADLP C(C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC1=[NH+]CCCN1 ZINC000414364882 386148300 /nfs/dbraw/zinc/14/83/00/386148300.db2.gz ZJPJCNVYKQXOJI-PHIMTYICSA-N 2 2 238.335 -0.212 20 0 BBADLP C(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC1=[NH+]CCCN1 ZINC000414364882 386148291 /nfs/dbraw/zinc/14/82/91/386148291.db2.gz ZJPJCNVYKQXOJI-PHIMTYICSA-N 2 2 238.335 -0.212 20 0 BBADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000414744342 386340131 /nfs/dbraw/zinc/34/01/31/386340131.db2.gz IDMLFMQURYDNQG-BBBLOLIVSA-N 2 2 202.298 -0.603 20 0 BBADLP CC(C)C[C@@H]([NH3+])C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000414744342 386340127 /nfs/dbraw/zinc/34/01/27/386340127.db2.gz IDMLFMQURYDNQG-BBBLOLIVSA-N 2 2 202.298 -0.603 20 0 BBADLP CC(C)C[C@H]([NH3+])C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000414744348 191558843 /nfs/dbraw/zinc/55/88/43/191558843.db2.gz IDMLFMQURYDNQG-GUBZILKMSA-N 2 2 202.298 -0.603 20 0 BBADLP CC(C)C[C@H]([NH3+])C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000414744355 386340658 /nfs/dbraw/zinc/34/06/58/386340658.db2.gz IDMLFMQURYDNQG-IVZWLZJFSA-N 2 2 202.298 -0.603 20 0 BBADLP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000414744357 386341709 /nfs/dbraw/zinc/34/17/09/386341709.db2.gz IDMLFMQURYDNQG-LPEHRKFASA-N 2 2 202.298 -0.603 20 0 BBADLP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000414744357 386341701 /nfs/dbraw/zinc/34/17/01/386341701.db2.gz IDMLFMQURYDNQG-LPEHRKFASA-N 2 2 202.298 -0.603 20 0 BBADLP CC(C)(C)[NH2+]CC[NH2+]CCN1CC[NH2+]CC1 ZINC000414892251 386151103 /nfs/dbraw/zinc/15/11/03/386151103.db2.gz XQXFJJGBDIULJE-UHFFFAOYSA-N 3 2 228.384 -0.131 20 0 BBADLP COCC(C)(C)C[N@@H+](CC[NH3+])CCO ZINC000414916368 386526719 /nfs/dbraw/zinc/52/67/19/386526719.db2.gz SPOVTMDCNNSRAG-UHFFFAOYSA-N 2 2 204.314 -0.088 20 0 BBADLP COCC(C)(C)C[N@H+](CC[NH3+])CCO ZINC000414916368 386526713 /nfs/dbraw/zinc/52/67/13/386526713.db2.gz SPOVTMDCNNSRAG-UHFFFAOYSA-N 2 2 204.314 -0.088 20 0 BBADLP COC(=O)C(C)(C)CC[N@@H+](CC[NH3+])CCO ZINC000414917508 386534212 /nfs/dbraw/zinc/53/42/12/386534212.db2.gz WAYGHAHUVDYZTH-UHFFFAOYSA-N 2 2 232.324 -0.171 20 0 BBADLP COC(=O)C(C)(C)CC[N@H+](CC[NH3+])CCO ZINC000414917508 386534208 /nfs/dbraw/zinc/53/42/08/386534208.db2.gz WAYGHAHUVDYZTH-UHFFFAOYSA-N 2 2 232.324 -0.171 20 0 BBADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)C[NH+](C)C ZINC000416293617 386261704 /nfs/dbraw/zinc/26/17/04/386261704.db2.gz JYIDCKHBDNFNFC-GHMZBOCLSA-N 2 2 243.351 -0.539 20 0 BBADLP C[C@@H]1CN(C(=O)C[NH+](C)C)[C@@H](C)C[N@H+]1CCO ZINC000416293628 386261061 /nfs/dbraw/zinc/26/10/61/386261061.db2.gz JYIDCKHBDNFNFC-MNOVXSKESA-N 2 2 243.351 -0.539 20 0 BBADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C[NH+](C)C ZINC000416293630 386263871 /nfs/dbraw/zinc/26/38/71/386263871.db2.gz JYIDCKHBDNFNFC-QWRGUYRKSA-N 2 2 243.351 -0.539 20 0 BBADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C[NH+](C)C ZINC000416293630 386263870 /nfs/dbraw/zinc/26/38/70/386263870.db2.gz JYIDCKHBDNFNFC-QWRGUYRKSA-N 2 2 243.351 -0.539 20 0 BBADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C[NH+](C)C ZINC000416293631 386264562 /nfs/dbraw/zinc/26/45/62/386264562.db2.gz JYIDCKHBDNFNFC-WDEREUQCSA-N 2 2 243.351 -0.539 20 0 BBADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C[NH+](C)C ZINC000416293631 386264558 /nfs/dbraw/zinc/26/45/58/386264558.db2.gz JYIDCKHBDNFNFC-WDEREUQCSA-N 2 2 243.351 -0.539 20 0 BBADLP CC1(C)C[N@@H+](CCNC(=O)NCC[NH3+])CCO1 ZINC000417411840 387046556 /nfs/dbraw/zinc/04/65/56/387046556.db2.gz DLVMHYBAIVLMRA-UHFFFAOYSA-N 2 2 244.339 -0.645 20 0 BBADLP CC1(C)C[N@H+](CCNC(=O)NCC[NH3+])CCO1 ZINC000417411840 387046552 /nfs/dbraw/zinc/04/65/52/387046552.db2.gz DLVMHYBAIVLMRA-UHFFFAOYSA-N 2 2 244.339 -0.645 20 0 BBADLP CC1(C)COCC[N@H+]1CCNC(=O)NCC[NH3+] ZINC000417502765 386186531 /nfs/dbraw/zinc/18/65/31/386186531.db2.gz KCTICTQDRDWYBR-UHFFFAOYSA-N 2 2 244.339 -0.645 20 0 BBADLP CC1(C)COCC[N@@H+]1CCNC(=O)NCC[NH3+] ZINC000417502765 386186529 /nfs/dbraw/zinc/18/65/29/386186529.db2.gz KCTICTQDRDWYBR-UHFFFAOYSA-N 2 2 244.339 -0.645 20 0 BBADLP CC[C@H]1C[N@@H+](CCNC(=O)NCC[NH3+])CCO1 ZINC000418306823 192021408 /nfs/dbraw/zinc/02/14/08/192021408.db2.gz SFIQZIDWQYEUDR-JTQLQIEISA-N 2 2 244.339 -0.645 20 0 BBADLP CC[C@H]1C[N@H+](CCNC(=O)NCC[NH3+])CCO1 ZINC000418306823 192021406 /nfs/dbraw/zinc/02/14/06/192021406.db2.gz SFIQZIDWQYEUDR-JTQLQIEISA-N 2 2 244.339 -0.645 20 0 BBADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCC[NH3+])CCO1 ZINC000418306824 192021190 /nfs/dbraw/zinc/02/11/90/192021190.db2.gz SFIQZIDWQYEUDR-SNVBAGLBSA-N 2 2 244.339 -0.645 20 0 BBADLP CC[C@@H]1C[N@H+](CCNC(=O)NCC[NH3+])CCO1 ZINC000418306824 192021188 /nfs/dbraw/zinc/02/11/88/192021188.db2.gz SFIQZIDWQYEUDR-SNVBAGLBSA-N 2 2 244.339 -0.645 20 0 BBADLP [NH3+]CC(F)(F)CNC(=O)NCC(F)(F)C[NH3+] ZINC000418518380 192046486 /nfs/dbraw/zinc/04/64/86/192046486.db2.gz XJIYJXMMAFQWGA-UHFFFAOYSA-N 2 2 246.208 -0.526 20 0 BBADLP Cc1nc(NCC[C@@H](C)[NH3+])nc(N(C)C)[nH+]1 ZINC000420154009 411766373 /nfs/dbraw/zinc/76/63/73/411766373.db2.gz HNTLQPKYEVHOFB-SSDOTTSWSA-N 2 2 224.312 0.395 20 0 BBADLP Cc1nc(N(C)C)nc(NCC[C@@H](C)[NH3+])[nH+]1 ZINC000420154009 411766367 /nfs/dbraw/zinc/76/63/67/411766367.db2.gz HNTLQPKYEVHOFB-SSDOTTSWSA-N 2 2 224.312 0.395 20 0 BBADLP C[NH2+]CCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000420156433 412290734 /nfs/dbraw/zinc/29/07/34/412290734.db2.gz NAIVWSREPCRBRT-UHFFFAOYSA-N 2 2 210.285 -0.123 20 0 BBADLP C[NH2+]C[C@@H](C)CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000420199340 412292290 /nfs/dbraw/zinc/29/22/90/412292290.db2.gz MHIIJSZHUKLAST-SSDOTTSWSA-N 2 2 249.322 0.213 20 0 BBADLP C[NH2+]C[C@H](C)CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000420199342 412291951 /nfs/dbraw/zinc/29/19/51/412291951.db2.gz MHIIJSZHUKLAST-ZETCQYMHSA-N 2 2 249.322 0.213 20 0 BBADLP C[NH2+]C[C@@H](C)CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000420210066 412292422 /nfs/dbraw/zinc/29/24/22/412292422.db2.gz SEFCTPQIKXFSPT-MRVPVSSYSA-N 2 2 238.339 0.513 20 0 BBADLP C[NH2+]C[C@@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000420210066 412292419 /nfs/dbraw/zinc/29/24/19/412292419.db2.gz SEFCTPQIKXFSPT-MRVPVSSYSA-N 2 2 238.339 0.513 20 0 BBADLP C[NH2+]C[C@H](C)CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000420210067 412292328 /nfs/dbraw/zinc/29/23/28/412292328.db2.gz SEFCTPQIKXFSPT-QMMMGPOBSA-N 2 2 238.339 0.513 20 0 BBADLP C[NH2+]C[C@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000420210067 412292326 /nfs/dbraw/zinc/29/23/26/412292326.db2.gz SEFCTPQIKXFSPT-QMMMGPOBSA-N 2 2 238.339 0.513 20 0 BBADLP Cc1nc(NCC2([NH3+])CCC2)nc(N(C)C)[nH+]1 ZINC000420224753 411200065 /nfs/dbraw/zinc/20/00/65/411200065.db2.gz BQPZIFLIEKEJLP-UHFFFAOYSA-N 2 2 236.323 0.539 20 0 BBADLP C[C@@H](O)CNc1cc(NCCCC[NH3+])nc[nH+]1 ZINC000420227785 411832605 /nfs/dbraw/zinc/83/26/05/411832605.db2.gz DABDPHAPQNXSGL-SECBINFHSA-N 2 2 239.323 0.420 20 0 BBADLP C[C@@H](O)CNc1cc(NCCCC[NH3+])[nH+]cn1 ZINC000420227785 411832602 /nfs/dbraw/zinc/83/26/02/411832602.db2.gz DABDPHAPQNXSGL-SECBINFHSA-N 2 2 239.323 0.420 20 0 BBADLP C[C@H](O)CNc1cc(NCCCC[NH3+])nc[nH+]1 ZINC000420227786 412249889 /nfs/dbraw/zinc/24/98/89/412249889.db2.gz DABDPHAPQNXSGL-VIFPVBQESA-N 2 2 239.323 0.420 20 0 BBADLP C[C@H](O)CNc1cc(NCCCC[NH3+])[nH+]cn1 ZINC000420227786 412249886 /nfs/dbraw/zinc/24/98/86/412249886.db2.gz DABDPHAPQNXSGL-VIFPVBQESA-N 2 2 239.323 0.420 20 0 BBADLP C[NH2+]CCN(C)c1nc(C)[nH+]c(N(C)C)n1 ZINC000420230867 206024190 /nfs/dbraw/zinc/02/41/90/206024190.db2.gz ZJMPZTOEIAUMJY-UHFFFAOYSA-N 2 2 224.312 -0.098 20 0 BBADLP Cc1nc(NCCCC[NH3+])nc(N(C)C)[nH+]1 ZINC000420231727 411150451 /nfs/dbraw/zinc/15/04/51/411150451.db2.gz KSUPJUSBWRAGSJ-UHFFFAOYSA-N 2 2 224.312 0.397 20 0 BBADLP Cc1nc(N(C)C)nc(NCCCC[NH3+])[nH+]1 ZINC000420231727 411150450 /nfs/dbraw/zinc/15/04/50/411150450.db2.gz KSUPJUSBWRAGSJ-UHFFFAOYSA-N 2 2 224.312 0.397 20 0 BBADLP C[C@@H](C[NH3+])Nc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000420243857 411879783 /nfs/dbraw/zinc/87/97/83/411879783.db2.gz KGLAOTCTZIULMS-ZETCQYMHSA-N 2 2 233.279 0.004 20 0 BBADLP Cc1nc(N[C@@H](C)C[NH3+])nc(N(C)C)[nH+]1 ZINC000420249820 411769799 /nfs/dbraw/zinc/76/97/99/411769799.db2.gz SHIMLHQRCHUFNH-LURJTMIESA-N 2 2 210.285 0.005 20 0 BBADLP CCS(=O)(=O)NCCC[N@H+]1CCC[C@H]1C[NH3+] ZINC000420286170 192200502 /nfs/dbraw/zinc/20/05/02/192200502.db2.gz FSPVPYROHOYKMM-JTQLQIEISA-N 2 2 249.380 -0.261 20 0 BBADLP CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000420286170 192200500 /nfs/dbraw/zinc/20/05/00/192200500.db2.gz FSPVPYROHOYKMM-JTQLQIEISA-N 2 2 249.380 -0.261 20 0 BBADLP CCS(=O)(=O)NCCC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000420286171 192200301 /nfs/dbraw/zinc/20/03/01/192200301.db2.gz FSPVPYROHOYKMM-SNVBAGLBSA-N 2 2 249.380 -0.261 20 0 BBADLP CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000420286171 192200300 /nfs/dbraw/zinc/20/03/00/192200300.db2.gz FSPVPYROHOYKMM-SNVBAGLBSA-N 2 2 249.380 -0.261 20 0 BBADLP Cc1nc(N(C)CC[NH3+])nc(N(C)C)[nH+]1 ZINC000420286543 192200713 /nfs/dbraw/zinc/20/07/13/192200713.db2.gz QJXXOQWWZBUOPV-UHFFFAOYSA-N 2 2 210.285 -0.359 20 0 BBADLP C[N@@H+](CCN1CC[NH2+]CC1)[C@H](C[NH3+])C1CC1 ZINC000420306808 192208630 /nfs/dbraw/zinc/20/86/30/192208630.db2.gz BMDSEBXPHMHQMQ-GFCCVEGCSA-N 3 2 226.368 -0.439 20 0 BBADLP C[N@H+](CCN1CC[NH2+]CC1)[C@H](C[NH3+])C1CC1 ZINC000420306808 192208629 /nfs/dbraw/zinc/20/86/29/192208629.db2.gz BMDSEBXPHMHQMQ-GFCCVEGCSA-N 3 2 226.368 -0.439 20 0 BBADLP C[N@@H+](CCN1CC[NH2+]CC1)[C@@H](C[NH3+])C1CC1 ZINC000420306810 192209027 /nfs/dbraw/zinc/20/90/27/192209027.db2.gz BMDSEBXPHMHQMQ-LBPRGKRZSA-N 3 2 226.368 -0.439 20 0 BBADLP C[N@H+](CCN1CC[NH2+]CC1)[C@@H](C[NH3+])C1CC1 ZINC000420306810 192209024 /nfs/dbraw/zinc/20/90/24/192209024.db2.gz BMDSEBXPHMHQMQ-LBPRGKRZSA-N 3 2 226.368 -0.439 20 0 BBADLP CC(C)COCC[N@@H+](CC[NH3+])CCO ZINC000420307478 192209016 /nfs/dbraw/zinc/20/90/16/192209016.db2.gz MJSNJAZNMWLTAI-UHFFFAOYSA-N 2 2 204.314 -0.088 20 0 BBADLP CC(C)COCC[N@H+](CC[NH3+])CCO ZINC000420307478 192209014 /nfs/dbraw/zinc/20/90/14/192209014.db2.gz MJSNJAZNMWLTAI-UHFFFAOYSA-N 2 2 204.314 -0.088 20 0 BBADLP CC(C)OC(=O)CC[N@@H+](CC[NH3+])CCO ZINC000420308239 192210959 /nfs/dbraw/zinc/21/09/59/192210959.db2.gz NGVXMOCMKYIVQZ-UHFFFAOYSA-N 2 2 218.297 -0.419 20 0 BBADLP CC(C)OC(=O)CC[N@H+](CC[NH3+])CCO ZINC000420308239 192210957 /nfs/dbraw/zinc/21/09/57/192210957.db2.gz NGVXMOCMKYIVQZ-UHFFFAOYSA-N 2 2 218.297 -0.419 20 0 BBADLP C[N@@H+](CCN1CC[NH2+]CC1)C1(C[NH3+])CCC1 ZINC000420319919 192195031 /nfs/dbraw/zinc/19/50/31/192195031.db2.gz AYVUZWQMPVJXGM-UHFFFAOYSA-N 3 2 226.368 -0.295 20 0 BBADLP C[N@H+](CCN1CC[NH2+]CC1)C1(C[NH3+])CCC1 ZINC000420319919 192195030 /nfs/dbraw/zinc/19/50/30/192195030.db2.gz AYVUZWQMPVJXGM-UHFFFAOYSA-N 3 2 226.368 -0.295 20 0 BBADLP C[N@@H+](CC(=O)Nc1ccncc1)C1CC([NH3+])C1 ZINC000420326988 192229936 /nfs/dbraw/zinc/22/99/36/192229936.db2.gz FZKCIOCLANUXIN-UHFFFAOYSA-N 2 2 234.303 -0.137 20 0 BBADLP C[N@H+](CC(=O)Nc1ccncc1)C1CC([NH3+])C1 ZINC000420326988 192229934 /nfs/dbraw/zinc/22/99/34/192229934.db2.gz FZKCIOCLANUXIN-UHFFFAOYSA-N 2 2 234.303 -0.137 20 0 BBADLP CCS(=O)(=O)NCC[N@@H+](C)C1CC([NH3+])C1 ZINC000420328617 192228942 /nfs/dbraw/zinc/22/89/42/192228942.db2.gz HUMGVACQLVDZFV-UHFFFAOYSA-N 2 2 235.353 -0.653 20 0 BBADLP CCS(=O)(=O)NCC[N@H+](C)C1CC([NH3+])C1 ZINC000420328617 192228940 /nfs/dbraw/zinc/22/89/40/192228940.db2.gz HUMGVACQLVDZFV-UHFFFAOYSA-N 2 2 235.353 -0.653 20 0 BBADLP CNS(=O)(=O)CCC[N@@H+](C)C1(C[NH3+])CCC1 ZINC000420331507 192215209 /nfs/dbraw/zinc/21/52/09/192215209.db2.gz QWLRJGNECDJJKV-UHFFFAOYSA-N 2 2 249.380 -0.261 20 0 BBADLP CNS(=O)(=O)CCC[N@H+](C)C1(C[NH3+])CCC1 ZINC000420331507 192215208 /nfs/dbraw/zinc/21/52/08/192215208.db2.gz QWLRJGNECDJJKV-UHFFFAOYSA-N 2 2 249.380 -0.261 20 0 BBADLP CCOCCNC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000420334470 192213993 /nfs/dbraw/zinc/21/39/93/192213993.db2.gz OKGHBCUUALUZHV-UHFFFAOYSA-N 2 2 229.324 -0.439 20 0 BBADLP CCOCCNC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000420334470 192213992 /nfs/dbraw/zinc/21/39/92/192213992.db2.gz OKGHBCUUALUZHV-UHFFFAOYSA-N 2 2 229.324 -0.439 20 0 BBADLP CCCCN(CC)C(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420348565 192217063 /nfs/dbraw/zinc/21/70/63/192217063.db2.gz AFYXZGKOSQYCIF-LLVKDONJSA-N 2 2 245.367 -0.114 20 0 BBADLP CCCCN(CC)C(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000420348565 192217061 /nfs/dbraw/zinc/21/70/61/192217061.db2.gz AFYXZGKOSQYCIF-LLVKDONJSA-N 2 2 245.367 -0.114 20 0 BBADLP CCCCN(CC)C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420348566 192218481 /nfs/dbraw/zinc/21/84/81/192218481.db2.gz AFYXZGKOSQYCIF-NSHDSACASA-N 2 2 245.367 -0.114 20 0 BBADLP CCCCN(CC)C(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420348566 192218478 /nfs/dbraw/zinc/21/84/78/192218478.db2.gz AFYXZGKOSQYCIF-NSHDSACASA-N 2 2 245.367 -0.114 20 0 BBADLP C[N@H+](CC(=O)NCCC(C)(C)C)C[C@@H](O)C[NH3+] ZINC000420358448 192219714 /nfs/dbraw/zinc/21/97/14/192219714.db2.gz UJLRBYFICJCENV-JTQLQIEISA-N 2 2 245.367 -0.210 20 0 BBADLP C[N@@H+](CC(=O)NCCC(C)(C)C)C[C@@H](O)C[NH3+] ZINC000420358448 192219712 /nfs/dbraw/zinc/21/97/12/192219712.db2.gz UJLRBYFICJCENV-JTQLQIEISA-N 2 2 245.367 -0.210 20 0 BBADLP C[N@H+](CC(=O)NCCC(C)(C)C)C[C@H](O)C[NH3+] ZINC000420358450 192220325 /nfs/dbraw/zinc/22/03/25/192220325.db2.gz UJLRBYFICJCENV-SNVBAGLBSA-N 2 2 245.367 -0.210 20 0 BBADLP C[N@@H+](CC(=O)NCCC(C)(C)C)C[C@H](O)C[NH3+] ZINC000420358450 192220322 /nfs/dbraw/zinc/22/03/22/192220322.db2.gz UJLRBYFICJCENV-SNVBAGLBSA-N 2 2 245.367 -0.210 20 0 BBADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCNS(C)(=O)=O ZINC000420358635 192220727 /nfs/dbraw/zinc/22/07/27/192220727.db2.gz FQPNXBQYGQARJM-BBBLOLIVSA-N 2 2 249.380 -0.488 20 0 BBADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC000420358636 192219266 /nfs/dbraw/zinc/21/92/66/192219266.db2.gz FQPNXBQYGQARJM-KXUCPTDWSA-N 2 2 249.380 -0.488 20 0 BBADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC000420358637 192222048 /nfs/dbraw/zinc/22/20/48/192222048.db2.gz FQPNXBQYGQARJM-OPRDCNLKSA-N 2 2 249.380 -0.488 20 0 BBADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCNS(C)(=O)=O ZINC000420358638 192221548 /nfs/dbraw/zinc/22/15/48/192221548.db2.gz FQPNXBQYGQARJM-UTLUCORTSA-N 2 2 249.380 -0.488 20 0 BBADLP CC(C)CN1CC[N@@H+](CCOCC[NH3+])CC1=O ZINC000420359072 192221699 /nfs/dbraw/zinc/22/16/99/192221699.db2.gz KFQITELWNRERHA-UHFFFAOYSA-N 2 2 243.351 -0.238 20 0 BBADLP CC(C)CN1CC[N@H+](CCOCC[NH3+])CC1=O ZINC000420359072 192221696 /nfs/dbraw/zinc/22/16/96/192221696.db2.gz KFQITELWNRERHA-UHFFFAOYSA-N 2 2 243.351 -0.238 20 0 BBADLP CCOC(=O)C[N@@H+](CCOCC[NH3+])C1CC1 ZINC000420361142 192222556 /nfs/dbraw/zinc/22/25/56/192222556.db2.gz MSTNPVKHOCWURD-UHFFFAOYSA-N 2 2 230.308 -0.011 20 0 BBADLP CCOC(=O)C[N@H+](CCOCC[NH3+])C1CC1 ZINC000420361142 192222554 /nfs/dbraw/zinc/22/25/54/192222554.db2.gz MSTNPVKHOCWURD-UHFFFAOYSA-N 2 2 230.308 -0.011 20 0 BBADLP CC[NH+](CC)CCC[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420361570 192222060 /nfs/dbraw/zinc/22/20/60/192222060.db2.gz YLDBZELDCLPOJD-LLVKDONJSA-N 3 2 217.357 -0.030 20 0 BBADLP CC[NH+](CC)CCC[N@H+](C)C[C@H](O)C[NH3+] ZINC000420361570 192222058 /nfs/dbraw/zinc/22/20/58/192222058.db2.gz YLDBZELDCLPOJD-LLVKDONJSA-N 3 2 217.357 -0.030 20 0 BBADLP CC[NH+](CC)CCC[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420361571 192221952 /nfs/dbraw/zinc/22/19/52/192221952.db2.gz YLDBZELDCLPOJD-NSHDSACASA-N 3 2 217.357 -0.030 20 0 BBADLP CC[NH+](CC)CCC[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420361571 192221949 /nfs/dbraw/zinc/22/19/49/192221949.db2.gz YLDBZELDCLPOJD-NSHDSACASA-N 3 2 217.357 -0.030 20 0 BBADLP CNC(=O)NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420366777 192225249 /nfs/dbraw/zinc/22/52/49/192225249.db2.gz MGEKRTUYVBCWQI-KHQFGBGNSA-N 2 2 242.323 -0.582 20 0 BBADLP CNC(=O)NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420366778 192224954 /nfs/dbraw/zinc/22/49/54/192224954.db2.gz MGEKRTUYVBCWQI-NQMVMOMDSA-N 2 2 242.323 -0.582 20 0 BBADLP CNC(=O)NC(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420366779 192226310 /nfs/dbraw/zinc/22/63/10/192226310.db2.gz MGEKRTUYVBCWQI-OYNCUSHFSA-N 2 2 242.323 -0.582 20 0 BBADLP CNC(=O)NC(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420366780 192225467 /nfs/dbraw/zinc/22/54/67/192225467.db2.gz MGEKRTUYVBCWQI-QXFUBDJGSA-N 2 2 242.323 -0.582 20 0 BBADLP C[NH2+]CCC[N@H+]1CCCN(CCOC)C(=O)C1 ZINC000420375362 192231403 /nfs/dbraw/zinc/23/14/03/192231403.db2.gz PGMLHFYYTRSEOV-UHFFFAOYSA-N 2 2 243.351 -0.223 20 0 BBADLP C[NH2+]CCC[N@@H+]1CCCN(CCOC)C(=O)C1 ZINC000420375362 192231401 /nfs/dbraw/zinc/23/14/01/192231401.db2.gz PGMLHFYYTRSEOV-UHFFFAOYSA-N 2 2 243.351 -0.223 20 0 BBADLP [NH3+]CCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000422686490 387610444 /nfs/dbraw/zinc/61/04/44/387610444.db2.gz AIBRZWOORJLYAK-LLVKDONJSA-N 2 2 241.335 -0.438 20 0 BBADLP [NH3+]CCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000422686490 387610440 /nfs/dbraw/zinc/61/04/40/387610440.db2.gz AIBRZWOORJLYAK-LLVKDONJSA-N 2 2 241.335 -0.438 20 0 BBADLP [NH3+]CCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000422686491 387610999 /nfs/dbraw/zinc/61/09/99/387610999.db2.gz AIBRZWOORJLYAK-NSHDSACASA-N 2 2 241.335 -0.438 20 0 BBADLP [NH3+]CCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000422686491 387610996 /nfs/dbraw/zinc/61/09/96/387610996.db2.gz AIBRZWOORJLYAK-NSHDSACASA-N 2 2 241.335 -0.438 20 0 BBADLP [NH3+]CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000422687267 387612998 /nfs/dbraw/zinc/61/29/98/387612998.db2.gz BHBZSQPAZKIIBY-LLVKDONJSA-N 2 2 241.335 -0.295 20 0 BBADLP [NH3+]CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000422687267 387612994 /nfs/dbraw/zinc/61/29/94/387612994.db2.gz BHBZSQPAZKIIBY-LLVKDONJSA-N 2 2 241.335 -0.295 20 0 BBADLP [NH3+]CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000422687268 387613948 /nfs/dbraw/zinc/61/39/48/387613948.db2.gz BHBZSQPAZKIIBY-NSHDSACASA-N 2 2 241.335 -0.295 20 0 BBADLP [NH3+]CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000422687268 387613944 /nfs/dbraw/zinc/61/39/44/387613944.db2.gz BHBZSQPAZKIIBY-NSHDSACASA-N 2 2 241.335 -0.295 20 0 BBADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[NH3+] ZINC000422697767 387613903 /nfs/dbraw/zinc/61/39/03/387613903.db2.gz WCZXPUGGZLINLA-JTQLQIEISA-N 2 2 229.324 -0.438 20 0 BBADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH3+] ZINC000422697767 387613900 /nfs/dbraw/zinc/61/39/00/387613900.db2.gz WCZXPUGGZLINLA-JTQLQIEISA-N 2 2 229.324 -0.438 20 0 BBADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH3+] ZINC000422697768 387613688 /nfs/dbraw/zinc/61/36/88/387613688.db2.gz WCZXPUGGZLINLA-SNVBAGLBSA-N 2 2 229.324 -0.438 20 0 BBADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH3+] ZINC000422697768 387613683 /nfs/dbraw/zinc/61/36/83/387613683.db2.gz WCZXPUGGZLINLA-SNVBAGLBSA-N 2 2 229.324 -0.438 20 0 BBADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCCC[NH3+] ZINC000422701348 387615997 /nfs/dbraw/zinc/61/59/97/387615997.db2.gz BQHXKSRZTLOKMD-LLVKDONJSA-N 2 2 243.351 -0.048 20 0 BBADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCCC[NH3+] ZINC000422701348 387615994 /nfs/dbraw/zinc/61/59/94/387615994.db2.gz BQHXKSRZTLOKMD-LLVKDONJSA-N 2 2 243.351 -0.048 20 0 BBADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCCC[NH3+] ZINC000422701349 387615789 /nfs/dbraw/zinc/61/57/89/387615789.db2.gz BQHXKSRZTLOKMD-NSHDSACASA-N 2 2 243.351 -0.048 20 0 BBADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCCC[NH3+] ZINC000422701349 387615786 /nfs/dbraw/zinc/61/57/86/387615786.db2.gz BQHXKSRZTLOKMD-NSHDSACASA-N 2 2 243.351 -0.048 20 0 BBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC[N@@H+](C)CC ZINC000422722241 387633964 /nfs/dbraw/zinc/63/39/64/387633964.db2.gz XIHHAYKTQNWKCG-GHMZBOCLSA-N 2 2 243.351 -0.179 20 0 BBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC[N@H+](C)CC ZINC000422722241 387633958 /nfs/dbraw/zinc/63/39/58/387633958.db2.gz XIHHAYKTQNWKCG-GHMZBOCLSA-N 2 2 243.351 -0.179 20 0 BBADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCC[N@@H+](C)CC ZINC000422722242 387633483 /nfs/dbraw/zinc/63/34/83/387633483.db2.gz XIHHAYKTQNWKCG-MNOVXSKESA-N 2 2 243.351 -0.179 20 0 BBADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCC[N@H+](C)CC ZINC000422722242 387633481 /nfs/dbraw/zinc/63/34/81/387633481.db2.gz XIHHAYKTQNWKCG-MNOVXSKESA-N 2 2 243.351 -0.179 20 0 BBADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCC[N@@H+](C)CC ZINC000422722243 387634296 /nfs/dbraw/zinc/63/42/96/387634296.db2.gz XIHHAYKTQNWKCG-QWRGUYRKSA-N 2 2 243.351 -0.179 20 0 BBADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCC[N@H+](C)CC ZINC000422722243 387634291 /nfs/dbraw/zinc/63/42/91/387634291.db2.gz XIHHAYKTQNWKCG-QWRGUYRKSA-N 2 2 243.351 -0.179 20 0 BBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC[N@@H+](C)CC ZINC000422722244 387633756 /nfs/dbraw/zinc/63/37/56/387633756.db2.gz XIHHAYKTQNWKCG-WDEREUQCSA-N 2 2 243.351 -0.179 20 0 BBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC[N@H+](C)CC ZINC000422722244 387633753 /nfs/dbraw/zinc/63/37/53/387633753.db2.gz XIHHAYKTQNWKCG-WDEREUQCSA-N 2 2 243.351 -0.179 20 0 BBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@H](C)[NH+](C)C ZINC000422745230 387648248 /nfs/dbraw/zinc/64/82/48/387648248.db2.gz UVXKURSHSODTEC-GARJFASQSA-N 2 2 243.351 -0.180 20 0 BBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@@H](C)[NH+](C)C ZINC000422745237 387647816 /nfs/dbraw/zinc/64/78/16/387647816.db2.gz UVXKURSHSODTEC-GMTAPVOTSA-N 2 2 243.351 -0.180 20 0 BBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@H](C)[NH+](C)C ZINC000422745238 387648732 /nfs/dbraw/zinc/64/87/32/387648732.db2.gz UVXKURSHSODTEC-HBNTYKKESA-N 2 2 243.351 -0.180 20 0 BBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@@H](C)[NH+](C)C ZINC000422745239 387649212 /nfs/dbraw/zinc/64/92/12/387649212.db2.gz UVXKURSHSODTEC-OUAUKWLOSA-N 2 2 243.351 -0.180 20 0 BBADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]C ZINC000422791966 387692210 /nfs/dbraw/zinc/69/22/10/387692210.db2.gz YWXHVWKHHOHMPV-LLVKDONJSA-N 2 2 243.351 -0.177 20 0 BBADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]C ZINC000422791966 387692206 /nfs/dbraw/zinc/69/22/06/387692206.db2.gz YWXHVWKHHOHMPV-LLVKDONJSA-N 2 2 243.351 -0.177 20 0 BBADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[NH2+]C ZINC000422791967 387692119 /nfs/dbraw/zinc/69/21/19/387692119.db2.gz YWXHVWKHHOHMPV-NSHDSACASA-N 2 2 243.351 -0.177 20 0 BBADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH2+]C ZINC000422791967 387692115 /nfs/dbraw/zinc/69/21/15/387692115.db2.gz YWXHVWKHHOHMPV-NSHDSACASA-N 2 2 243.351 -0.177 20 0 BBADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000422953732 387810301 /nfs/dbraw/zinc/81/03/01/387810301.db2.gz GLZOFCRUIMUDTN-BBBLOLIVSA-N 2 2 211.309 -0.195 20 0 BBADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CC(=O)N(C)C1 ZINC000422953733 387809869 /nfs/dbraw/zinc/80/98/69/387809869.db2.gz GLZOFCRUIMUDTN-KXUCPTDWSA-N 2 2 211.309 -0.195 20 0 BBADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000422953734 387809054 /nfs/dbraw/zinc/80/90/54/387809054.db2.gz GLZOFCRUIMUDTN-OPRDCNLKSA-N 2 2 211.309 -0.195 20 0 BBADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC(=O)N(C)C1 ZINC000422953735 387808783 /nfs/dbraw/zinc/80/87/83/387808783.db2.gz GLZOFCRUIMUDTN-UTLUCORTSA-N 2 2 211.309 -0.195 20 0 BBADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)[C@@H]1CCC[NH2+]1 ZINC000422960165 387812546 /nfs/dbraw/zinc/81/25/46/387812546.db2.gz VMHLRYJHYKEYNA-BBBLOLIVSA-N 2 2 211.309 -0.053 20 0 BBADLP C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)[C@H]1CCC[NH2+]1 ZINC000422960166 387811205 /nfs/dbraw/zinc/81/12/05/387811205.db2.gz VMHLRYJHYKEYNA-KXUCPTDWSA-N 2 2 211.309 -0.053 20 0 BBADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)[C@H]1CCC[NH2+]1 ZINC000422960167 387811432 /nfs/dbraw/zinc/81/14/32/387811432.db2.gz VMHLRYJHYKEYNA-OPRDCNLKSA-N 2 2 211.309 -0.053 20 0 BBADLP C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)[C@@H]1CCC[NH2+]1 ZINC000422960168 387811257 /nfs/dbraw/zinc/81/12/57/387811257.db2.gz VMHLRYJHYKEYNA-UTLUCORTSA-N 2 2 211.309 -0.053 20 0 BBADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1N[C@@H](C)C[NH+](C)C ZINC000423110661 387893209 /nfs/dbraw/zinc/89/32/09/387893209.db2.gz PNZUQSUEDPAHBF-AXFHLTTASA-N 2 2 243.351 -0.180 20 0 BBADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1N[C@@H](C)C[NH+](C)C ZINC000423110662 387893963 /nfs/dbraw/zinc/89/39/63/387893963.db2.gz PNZUQSUEDPAHBF-DCAQKATOSA-N 2 2 243.351 -0.180 20 0 BBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H](C)C[NH+](C)C ZINC000423110919 387894486 /nfs/dbraw/zinc/89/44/86/387894486.db2.gz PNZUQSUEDPAHBF-GARJFASQSA-N 2 2 243.351 -0.180 20 0 BBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)C[NH+](C)C ZINC000423110922 387894330 /nfs/dbraw/zinc/89/43/30/387894330.db2.gz PNZUQSUEDPAHBF-HBNTYKKESA-N 2 2 243.351 -0.180 20 0 BBADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCS(=O)(=O)N(C)C ZINC000423141656 387918634 /nfs/dbraw/zinc/91/86/34/387918634.db2.gz RCQFCBVLBRHPFD-NXEZZACHSA-N 2 2 249.380 -0.535 20 0 BBADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCS(=O)(=O)N(C)C ZINC000423141657 387918256 /nfs/dbraw/zinc/91/82/56/387918256.db2.gz RCQFCBVLBRHPFD-UWVGGRQHSA-N 2 2 249.380 -0.535 20 0 BBADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCS(=O)(=O)N(C)C ZINC000423141658 387918244 /nfs/dbraw/zinc/91/82/44/387918244.db2.gz RCQFCBVLBRHPFD-VHSXEESVSA-N 2 2 249.380 -0.535 20 0 BBADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCS(=O)(=O)N(C)C ZINC000423141659 387917975 /nfs/dbraw/zinc/91/79/75/387917975.db2.gz RCQFCBVLBRHPFD-ZJUUUORDSA-N 2 2 249.380 -0.535 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423184452 387969843 /nfs/dbraw/zinc/96/98/43/387969843.db2.gz TWMROWZZQPASRS-CHWSQXEVSA-N 3 2 240.395 -0.179 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423184452 387969841 /nfs/dbraw/zinc/96/98/41/387969841.db2.gz TWMROWZZQPASRS-CHWSQXEVSA-N 3 2 240.395 -0.179 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423184453 387970368 /nfs/dbraw/zinc/97/03/68/387970368.db2.gz TWMROWZZQPASRS-OLZOCXBDSA-N 3 2 240.395 -0.179 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423184453 387970364 /nfs/dbraw/zinc/97/03/64/387970364.db2.gz TWMROWZZQPASRS-OLZOCXBDSA-N 3 2 240.395 -0.179 20 0 BBADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423184454 387969409 /nfs/dbraw/zinc/96/94/09/387969409.db2.gz TWMROWZZQPASRS-QWHCGFSZSA-N 3 2 240.395 -0.179 20 0 BBADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423184454 387969408 /nfs/dbraw/zinc/96/94/08/387969408.db2.gz TWMROWZZQPASRS-QWHCGFSZSA-N 3 2 240.395 -0.179 20 0 BBADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423184455 387970072 /nfs/dbraw/zinc/97/00/72/387970072.db2.gz TWMROWZZQPASRS-STQMWFEESA-N 3 2 240.395 -0.179 20 0 BBADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423184455 387970069 /nfs/dbraw/zinc/97/00/69/387970069.db2.gz TWMROWZZQPASRS-STQMWFEESA-N 3 2 240.395 -0.179 20 0 BBADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423200159 387986200 /nfs/dbraw/zinc/98/62/00/387986200.db2.gz DQAUDXMEHRAWST-NEPJUHHUSA-N 3 2 226.368 -0.521 20 0 BBADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423200160 387986600 /nfs/dbraw/zinc/98/66/00/387986600.db2.gz DQAUDXMEHRAWST-NWDGAFQWSA-N 3 2 226.368 -0.521 20 0 BBADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423200161 387986790 /nfs/dbraw/zinc/98/67/90/387986790.db2.gz DQAUDXMEHRAWST-RYUDHWBXSA-N 3 2 226.368 -0.521 20 0 BBADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423200162 387986635 /nfs/dbraw/zinc/98/66/35/387986635.db2.gz DQAUDXMEHRAWST-VXGBXAGGSA-N 3 2 226.368 -0.521 20 0 BBADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000423200872 387988490 /nfs/dbraw/zinc/98/84/90/387988490.db2.gz GTXWLMPBDGCACQ-CHWSQXEVSA-N 3 2 240.395 -0.179 20 0 BBADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000423200872 387988486 /nfs/dbraw/zinc/98/84/86/387988486.db2.gz GTXWLMPBDGCACQ-CHWSQXEVSA-N 3 2 240.395 -0.179 20 0 BBADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000423200873 387988165 /nfs/dbraw/zinc/98/81/65/387988165.db2.gz GTXWLMPBDGCACQ-OLZOCXBDSA-N 3 2 240.395 -0.179 20 0 BBADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000423200873 387988163 /nfs/dbraw/zinc/98/81/63/387988163.db2.gz GTXWLMPBDGCACQ-OLZOCXBDSA-N 3 2 240.395 -0.179 20 0 BBADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000423200874 387987620 /nfs/dbraw/zinc/98/76/20/387987620.db2.gz GTXWLMPBDGCACQ-QWHCGFSZSA-N 3 2 240.395 -0.179 20 0 BBADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000423200874 387987616 /nfs/dbraw/zinc/98/76/16/387987616.db2.gz GTXWLMPBDGCACQ-QWHCGFSZSA-N 3 2 240.395 -0.179 20 0 BBADLP CC[N@@H+]1C[C@H]([NH2+]CCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000423200875 387988498 /nfs/dbraw/zinc/98/84/98/387988498.db2.gz GTXWLMPBDGCACQ-STQMWFEESA-N 3 2 240.395 -0.179 20 0 BBADLP CC[N@H+]1C[C@H]([NH2+]CCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000423200875 387988496 /nfs/dbraw/zinc/98/84/96/387988496.db2.gz GTXWLMPBDGCACQ-STQMWFEESA-N 3 2 240.395 -0.179 20 0 BBADLP COCC[NH+]1CCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000423300782 387132390 /nfs/dbraw/zinc/13/23/90/387132390.db2.gz FPQDNYAOIJRMOI-UHFFFAOYSA-N 2 2 241.335 -0.614 20 0 BBADLP CCC[NH2+]CCN[C@@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000423314534 387155351 /nfs/dbraw/zinc/15/53/51/387155351.db2.gz WBYFNQZBAGIOFC-GHMZBOCLSA-N 2 2 243.351 -0.131 20 0 BBADLP CCC[NH2+]CCN[C@@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000423314535 192701720 /nfs/dbraw/zinc/70/17/20/192701720.db2.gz WBYFNQZBAGIOFC-MNOVXSKESA-N 2 2 243.351 -0.131 20 0 BBADLP CCC[NH2+]CCN[C@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000423314536 387153675 /nfs/dbraw/zinc/15/36/75/387153675.db2.gz WBYFNQZBAGIOFC-QWRGUYRKSA-N 2 2 243.351 -0.131 20 0 BBADLP CCC[NH2+]CCN[C@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000423314537 192700743 /nfs/dbraw/zinc/70/07/43/192700743.db2.gz WBYFNQZBAGIOFC-WDEREUQCSA-N 2 2 243.351 -0.131 20 0 BBADLP C[C@@H](CNC(=O)C1(C)C[NH2+]C1)[NH+]1CCOCC1 ZINC000423317138 387157359 /nfs/dbraw/zinc/15/73/59/387157359.db2.gz CITAEJCORJOCRY-JTQLQIEISA-N 2 2 241.335 -0.567 20 0 BBADLP C[C@H](CNC(=O)C1(C)C[NH2+]C1)[NH+]1CCOCC1 ZINC000423317139 387157208 /nfs/dbraw/zinc/15/72/08/387157208.db2.gz CITAEJCORJOCRY-SNVBAGLBSA-N 2 2 241.335 -0.567 20 0 BBADLP COCC[N@H+]1CC[C@@H](NCC(F)(F)C[NH3+])C1 ZINC000423348567 387201161 /nfs/dbraw/zinc/20/11/61/387201161.db2.gz UFOOIFUXNTTWBN-SECBINFHSA-N 2 2 237.294 -0.109 20 0 BBADLP COCC[N@H+]1CC[C@H](NCC(F)(F)C[NH3+])C1 ZINC000423348568 387200817 /nfs/dbraw/zinc/20/08/17/387200817.db2.gz UFOOIFUXNTTWBN-VIFPVBQESA-N 2 2 237.294 -0.109 20 0 BBADLP C[C@H]1COCC[N@H+]1CCNC(=O)C1(C)C[NH2+]C1 ZINC000423369196 387221266 /nfs/dbraw/zinc/22/12/66/387221266.db2.gz FRJHFBWISLPROE-JTQLQIEISA-N 2 2 241.335 -0.567 20 0 BBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C1(C)C[NH2+]C1 ZINC000423369196 387221260 /nfs/dbraw/zinc/22/12/60/387221260.db2.gz FRJHFBWISLPROE-JTQLQIEISA-N 2 2 241.335 -0.567 20 0 BBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C1(C)C[NH2+]C1 ZINC000423369197 387222029 /nfs/dbraw/zinc/22/20/29/387222029.db2.gz FRJHFBWISLPROE-SNVBAGLBSA-N 2 2 241.335 -0.567 20 0 BBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C1(C)C[NH2+]C1 ZINC000423369197 387222025 /nfs/dbraw/zinc/22/20/25/387222025.db2.gz FRJHFBWISLPROE-SNVBAGLBSA-N 2 2 241.335 -0.567 20 0 BBADLP CC[NH2+][C@H](C)CN[C@@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000423401369 387238637 /nfs/dbraw/zinc/23/86/37/387238637.db2.gz XPHJCDCYGLXTFG-GMTAPVOTSA-N 2 2 243.351 -0.132 20 0 BBADLP CC[NH2+][C@H](C)CN[C@@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000423401371 387237813 /nfs/dbraw/zinc/23/78/13/387237813.db2.gz XPHJCDCYGLXTFG-MXWKQRLJSA-N 2 2 243.351 -0.132 20 0 BBADLP CC[NH2+][C@H](C)CN[C@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000423401372 387238958 /nfs/dbraw/zinc/23/89/58/387238958.db2.gz XPHJCDCYGLXTFG-OUAUKWLOSA-N 2 2 243.351 -0.132 20 0 BBADLP CC[NH2+][C@H](C)CN[C@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000423401373 387237446 /nfs/dbraw/zinc/23/74/46/387237446.db2.gz XPHJCDCYGLXTFG-VWYCJHECSA-N 2 2 243.351 -0.132 20 0 BBADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)C[NH3+] ZINC000423540923 387366329 /nfs/dbraw/zinc/36/63/29/387366329.db2.gz RDPHGEICKNCTQN-GHMZBOCLSA-N 2 2 243.351 -0.049 20 0 BBADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)C[NH3+] ZINC000423540923 387366323 /nfs/dbraw/zinc/36/63/23/387366323.db2.gz RDPHGEICKNCTQN-GHMZBOCLSA-N 2 2 243.351 -0.049 20 0 BBADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@H](C)C[NH3+] ZINC000423540924 387365318 /nfs/dbraw/zinc/36/53/18/387365318.db2.gz RDPHGEICKNCTQN-MNOVXSKESA-N 2 2 243.351 -0.049 20 0 BBADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@H](C)C[NH3+] ZINC000423540924 387365316 /nfs/dbraw/zinc/36/53/16/387365316.db2.gz RDPHGEICKNCTQN-MNOVXSKESA-N 2 2 243.351 -0.049 20 0 BBADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@@H](C)C[NH3+] ZINC000423596158 387385258 /nfs/dbraw/zinc/38/52/58/387385258.db2.gz RDPHGEICKNCTQN-QWRGUYRKSA-N 2 2 243.351 -0.049 20 0 BBADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H](C)C[NH3+] ZINC000423596158 387385255 /nfs/dbraw/zinc/38/52/55/387385255.db2.gz RDPHGEICKNCTQN-QWRGUYRKSA-N 2 2 243.351 -0.049 20 0 BBADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)C[NH3+] ZINC000423596159 387385146 /nfs/dbraw/zinc/38/51/46/387385146.db2.gz RDPHGEICKNCTQN-WDEREUQCSA-N 2 2 243.351 -0.049 20 0 BBADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)C[NH3+] ZINC000423596159 387385141 /nfs/dbraw/zinc/38/51/41/387385141.db2.gz RDPHGEICKNCTQN-WDEREUQCSA-N 2 2 243.351 -0.049 20 0 BBADLP CC(C)[C@@H]([NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000423744456 387407765 /nfs/dbraw/zinc/40/77/65/387407765.db2.gz NXRQOPAXUMBKSK-LLVKDONJSA-N 2 2 243.351 -0.240 20 0 BBADLP CN(CC[NH+]1CCOCC1)C(=O)C1(C)C[NH2+]C1 ZINC000423750151 387408872 /nfs/dbraw/zinc/40/88/72/387408872.db2.gz SRLHEXWUDFEELS-UHFFFAOYSA-N 2 2 241.335 -0.614 20 0 BBADLP C[NH2+]CC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423756968 387411811 /nfs/dbraw/zinc/41/18/11/387411811.db2.gz CADUFFHBQWIJSG-PHIMTYICSA-N 2 2 243.351 -0.227 20 0 BBADLP C[NH2+]CC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423756968 387411806 /nfs/dbraw/zinc/41/18/06/387411806.db2.gz CADUFFHBQWIJSG-PHIMTYICSA-N 2 2 243.351 -0.227 20 0 BBADLP COC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000423772403 387420666 /nfs/dbraw/zinc/42/06/66/387420666.db2.gz KIRIPPOOFZIMMQ-GHMZBOCLSA-N 2 2 243.351 -0.241 20 0 BBADLP COC[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000423772403 387420662 /nfs/dbraw/zinc/42/06/62/387420662.db2.gz KIRIPPOOFZIMMQ-GHMZBOCLSA-N 2 2 243.351 -0.241 20 0 BBADLP COC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000423772404 387421094 /nfs/dbraw/zinc/42/10/94/387421094.db2.gz KIRIPPOOFZIMMQ-MNOVXSKESA-N 2 2 243.351 -0.241 20 0 BBADLP COC[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000423772404 387421089 /nfs/dbraw/zinc/42/10/89/387421089.db2.gz KIRIPPOOFZIMMQ-MNOVXSKESA-N 2 2 243.351 -0.241 20 0 BBADLP COC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000423772405 387420855 /nfs/dbraw/zinc/42/08/55/387420855.db2.gz KIRIPPOOFZIMMQ-QWRGUYRKSA-N 2 2 243.351 -0.241 20 0 BBADLP COC[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000423772405 387420851 /nfs/dbraw/zinc/42/08/51/387420851.db2.gz KIRIPPOOFZIMMQ-QWRGUYRKSA-N 2 2 243.351 -0.241 20 0 BBADLP COC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000423772406 387420986 /nfs/dbraw/zinc/42/09/86/387420986.db2.gz KIRIPPOOFZIMMQ-WDEREUQCSA-N 2 2 243.351 -0.241 20 0 BBADLP COC[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000423772406 387420981 /nfs/dbraw/zinc/42/09/81/387420981.db2.gz KIRIPPOOFZIMMQ-WDEREUQCSA-N 2 2 243.351 -0.241 20 0 BBADLP C[NH2+]CCCN(C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000424019047 387466961 /nfs/dbraw/zinc/46/69/61/387466961.db2.gz KQQLKRIBKQULKX-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP C[NH2+]CCCN(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000424019048 387466908 /nfs/dbraw/zinc/46/69/08/387466908.db2.gz KQQLKRIBKQULKX-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP C[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[NH+]1CCOCC1 ZINC000424128373 387603053 /nfs/dbraw/zinc/60/30/53/387603053.db2.gz FIDJSEFMNXCIPB-AEJSXWLSSA-N 2 2 227.308 -0.830 20 0 BBADLP C[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[NH+]1CCOCC1 ZINC000424128405 387604157 /nfs/dbraw/zinc/60/41/57/387604157.db2.gz FIDJSEFMNXCIPB-BBBLOLIVSA-N 2 2 227.308 -0.830 20 0 BBADLP CC(C)(CNC(=O)[C@@H]1C[C@@H]1[NH3+])[NH+]1CCOCC1 ZINC000424128812 206032046 /nfs/dbraw/zinc/03/20/46/206032046.db2.gz CIJUJQNHNSVPNI-ZJUUUORDSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])Cn1cc[nH+]c1 ZINC000424138666 387672636 /nfs/dbraw/zinc/67/26/36/387672636.db2.gz UICZOZLVCZTQRO-AEJSXWLSSA-N 2 2 222.292 -0.017 20 0 BBADLP C[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])Cn1cc[nH+]c1 ZINC000424138668 387672243 /nfs/dbraw/zinc/67/22/43/387672243.db2.gz UICZOZLVCZTQRO-BBBLOLIVSA-N 2 2 222.292 -0.017 20 0 BBADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2C[C@@H]2[NH3+])CCO1 ZINC000424151195 387793389 /nfs/dbraw/zinc/79/33/89/387793389.db2.gz HBLUTSXDVSXAKY-ZJUUUORDSA-N 2 2 241.335 -0.439 20 0 BBADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2C[C@@H]2[NH3+])CCO1 ZINC000424151195 387793386 /nfs/dbraw/zinc/79/33/86/387793386.db2.gz HBLUTSXDVSXAKY-ZJUUUORDSA-N 2 2 241.335 -0.439 20 0 BBADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000424155147 387815204 /nfs/dbraw/zinc/81/52/04/387815204.db2.gz NNARJCVCBCBPLR-VHSXEESVSA-N 2 2 249.318 -0.599 20 0 BBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424155190 387816388 /nfs/dbraw/zinc/81/63/88/387816388.db2.gz MJZSWCUPOQLHSF-ZJUUUORDSA-N 2 2 241.335 -0.439 20 0 BBADLP [NH3+]CCC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424159598 387838751 /nfs/dbraw/zinc/83/87/51/387838751.db2.gz AFQRGNPQXRGJEO-SSDOTTSWSA-N 2 2 221.251 -0.304 20 0 BBADLP [NH3+]CCC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424159609 387839206 /nfs/dbraw/zinc/83/92/06/387839206.db2.gz AFQRGNPQXRGJEO-ZETCQYMHSA-N 2 2 221.251 -0.304 20 0 BBADLP C[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[NH+]1CCN(C)CC1 ZINC000424160848 387838537 /nfs/dbraw/zinc/83/85/37/387838537.db2.gz XKVIJRMHTPNPLS-AXFHLTTASA-N 2 2 240.351 -0.914 20 0 BBADLP C[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[NH+]1CCN(C)CC1 ZINC000424160849 387839722 /nfs/dbraw/zinc/83/97/22/387839722.db2.gz XKVIJRMHTPNPLS-MXWKQRLJSA-N 2 2 240.351 -0.914 20 0 BBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424161259 387841131 /nfs/dbraw/zinc/84/11/31/387841131.db2.gz VKGQATXBFOIDKF-AEJSXWLSSA-N 2 2 227.308 -0.830 20 0 BBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424161259 387841126 /nfs/dbraw/zinc/84/11/26/387841126.db2.gz VKGQATXBFOIDKF-AEJSXWLSSA-N 2 2 227.308 -0.830 20 0 BBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424161260 387840865 /nfs/dbraw/zinc/84/08/65/387840865.db2.gz VKGQATXBFOIDKF-BBBLOLIVSA-N 2 2 227.308 -0.830 20 0 BBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424161260 387840861 /nfs/dbraw/zinc/84/08/61/387840861.db2.gz VKGQATXBFOIDKF-BBBLOLIVSA-N 2 2 227.308 -0.830 20 0 BBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424162304 387844730 /nfs/dbraw/zinc/84/47/30/387844730.db2.gz ZLHZLTKWJDQZFG-AXFHLTTASA-N 2 2 240.351 -0.914 20 0 BBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424162305 387844593 /nfs/dbraw/zinc/84/45/93/387844593.db2.gz ZLHZLTKWJDQZFG-MXWKQRLJSA-N 2 2 240.351 -0.914 20 0 BBADLP [NH3+]C1(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000424163028 387846877 /nfs/dbraw/zinc/84/68/77/387846877.db2.gz DGMBFJWXHXQOGO-SSDOTTSWSA-N 2 2 233.262 -0.161 20 0 BBADLP [NH3+]C1(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000424163033 387846101 /nfs/dbraw/zinc/84/61/01/387846101.db2.gz DGMBFJWXHXQOGO-ZETCQYMHSA-N 2 2 233.262 -0.161 20 0 BBADLP C[C@@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])[C@@H](C)[NH+]1CCOCC1 ZINC000424164523 387848615 /nfs/dbraw/zinc/84/86/15/387848615.db2.gz ZNDMCXNAMQBCMM-DBIOUOCHSA-N 2 2 241.335 -0.441 20 0 BBADLP C[C@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000424164524 387848808 /nfs/dbraw/zinc/84/88/08/387848808.db2.gz ZNDMCXNAMQBCMM-MMWGEVLESA-N 2 2 241.335 -0.441 20 0 BBADLP C[C@@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000424164525 387848308 /nfs/dbraw/zinc/84/83/08/387848308.db2.gz ZNDMCXNAMQBCMM-YTWAJWBKSA-N 2 2 241.335 -0.441 20 0 BBADLP C[C@H]([C@H](C)NC(=O)[C@@H]1C[C@@H]1[NH3+])[NH+]1CCOCC1 ZINC000424164526 387848402 /nfs/dbraw/zinc/84/84/02/387848402.db2.gz ZNDMCXNAMQBCMM-ZDCRXTMVSA-N 2 2 241.335 -0.441 20 0 BBADLP C[NH2+]CC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424168198 387857524 /nfs/dbraw/zinc/85/75/24/387857524.db2.gz IMLKYKXQPJUPDN-SSDOTTSWSA-N 2 2 221.251 -0.433 20 0 BBADLP C[NH2+]CC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424168201 387857854 /nfs/dbraw/zinc/85/78/54/387857854.db2.gz IMLKYKXQPJUPDN-ZETCQYMHSA-N 2 2 221.251 -0.433 20 0 BBADLP O=C([C@H]1COCC[NH2+]1)N1CC[NH+]2CCC1CC2 ZINC000424169799 387864278 /nfs/dbraw/zinc/86/42/78/387864278.db2.gz HKBXFQMWSRZBRD-LLVKDONJSA-N 2 2 239.319 -0.719 20 0 BBADLP O=C([C@@H]1COCC[NH2+]1)N1CC[NH+]2CCC1CC2 ZINC000424169805 387864179 /nfs/dbraw/zinc/86/41/79/387864179.db2.gz HKBXFQMWSRZBRD-NSHDSACASA-N 2 2 239.319 -0.719 20 0 BBADLP C[NH2+]CCC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424172778 387868608 /nfs/dbraw/zinc/86/86/08/387868608.db2.gz DMZZPOURDSFJKO-MRVPVSSYSA-N 2 2 235.278 -0.043 20 0 BBADLP C[NH2+]CCC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424172781 387868423 /nfs/dbraw/zinc/86/84/23/387868423.db2.gz DMZZPOURDSFJKO-QMMMGPOBSA-N 2 2 235.278 -0.043 20 0 BBADLP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000424173647 387873005 /nfs/dbraw/zinc/87/30/05/387873005.db2.gz LPRSGDFHHIFSGN-GARJFASQSA-N 2 2 239.319 -0.687 20 0 BBADLP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000424173647 387873003 /nfs/dbraw/zinc/87/30/03/387873003.db2.gz LPRSGDFHHIFSGN-GARJFASQSA-N 2 2 239.319 -0.687 20 0 BBADLP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000424173651 387873348 /nfs/dbraw/zinc/87/33/48/387873348.db2.gz LPRSGDFHHIFSGN-OUAUKWLOSA-N 2 2 239.319 -0.687 20 0 BBADLP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000424173651 387873345 /nfs/dbraw/zinc/87/33/45/387873345.db2.gz LPRSGDFHHIFSGN-OUAUKWLOSA-N 2 2 239.319 -0.687 20 0 BBADLP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000424179749 200877533 /nfs/dbraw/zinc/87/75/33/200877533.db2.gz UFDMOLVXWKSHTQ-GXSJLCMTSA-N 2 2 245.298 -0.865 20 0 BBADLP C[C@]1(F)C[NH2+]CCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000424179750 387891385 /nfs/dbraw/zinc/89/13/85/387891385.db2.gz UFDMOLVXWKSHTQ-KOLCDFICSA-N 2 2 245.298 -0.865 20 0 BBADLP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000424179751 387891790 /nfs/dbraw/zinc/89/17/90/387891790.db2.gz UFDMOLVXWKSHTQ-MWLCHTKSSA-N 2 2 245.298 -0.865 20 0 BBADLP C[C@]1(F)C[NH2+]CCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000424179752 387890915 /nfs/dbraw/zinc/89/09/15/387890915.db2.gz UFDMOLVXWKSHTQ-ONGXEEELSA-N 2 2 245.298 -0.865 20 0 BBADLP C[C@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424180745 387892423 /nfs/dbraw/zinc/89/24/23/387892423.db2.gz WISFKVVVBCCCFT-BQBZGAKWSA-N 2 2 221.251 -0.305 20 0 BBADLP C[C@H]([NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424180747 387893082 /nfs/dbraw/zinc/89/30/82/387893082.db2.gz WISFKVVVBCCCFT-NKWVEPMBSA-N 2 2 221.251 -0.305 20 0 BBADLP C[C@@H]([NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424180749 387892761 /nfs/dbraw/zinc/89/27/61/387892761.db2.gz WISFKVVVBCCCFT-RNFRBKRXSA-N 2 2 221.251 -0.305 20 0 BBADLP C[C@@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424180751 387893433 /nfs/dbraw/zinc/89/34/33/387893433.db2.gz WISFKVVVBCCCFT-RQJHMYQMSA-N 2 2 221.251 -0.305 20 0 BBADLP C[C@H](C[NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424186755 387903533 /nfs/dbraw/zinc/90/35/33/387903533.db2.gz HJHMVDCYDFINHT-HTQZYQBOSA-N 2 2 235.278 -0.058 20 0 BBADLP C[C@@H](C[NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424186756 387904528 /nfs/dbraw/zinc/90/45/28/387904528.db2.gz HJHMVDCYDFINHT-JGVFFNPUSA-N 2 2 235.278 -0.058 20 0 BBADLP C[C@H](C[NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424186757 200882022 /nfs/dbraw/zinc/88/20/22/200882022.db2.gz HJHMVDCYDFINHT-SFYZADRCSA-N 2 2 235.278 -0.058 20 0 BBADLP C[C@@H](C[NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424186758 387904263 /nfs/dbraw/zinc/90/42/63/387904263.db2.gz HJHMVDCYDFINHT-YUMQZZPRSA-N 2 2 235.278 -0.058 20 0 BBADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@H]1CC[NH2+]1 ZINC000424191537 229159451 /nfs/dbraw/zinc/15/94/51/229159451.db2.gz NVHNEURJLKBEDT-HTQZYQBOSA-N 2 2 233.262 -0.291 20 0 BBADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@H]1CC[NH2+]1 ZINC000424191538 229159150 /nfs/dbraw/zinc/15/91/50/229159150.db2.gz NVHNEURJLKBEDT-JGVFFNPUSA-N 2 2 233.262 -0.291 20 0 BBADLP C[NH+](C)CC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424195474 387919427 /nfs/dbraw/zinc/91/94/27/387919427.db2.gz SVZJITOXHQMQLV-MRVPVSSYSA-N 2 2 235.278 -0.091 20 0 BBADLP C[NH+](C)CC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424195480 200885519 /nfs/dbraw/zinc/88/55/19/200885519.db2.gz SVZJITOXHQMQLV-QMMMGPOBSA-N 2 2 235.278 -0.091 20 0 BBADLP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424196047 387919727 /nfs/dbraw/zinc/91/97/27/387919727.db2.gz USBJYFHASSVBEI-BIIVOSGPSA-N 2 2 233.262 -0.305 20 0 BBADLP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424196048 387919677 /nfs/dbraw/zinc/91/96/77/387919677.db2.gz USBJYFHASSVBEI-GJMOJQLCSA-N 2 2 233.262 -0.305 20 0 BBADLP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424288638 200898734 /nfs/dbraw/zinc/89/87/34/200898734.db2.gz KUXDLLWMQBLBSL-GHMZBOCLSA-N 2 2 243.351 -0.001 20 0 BBADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424289109 387952794 /nfs/dbraw/zinc/95/27/94/387952794.db2.gz BHNGWCRTGGICIG-HTQZYQBOSA-N 2 2 228.296 -0.699 20 0 BBADLP NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424292060 398180374 /nfs/dbraw/zinc/18/03/74/398180374.db2.gz NYSOAFWHFQLXNH-RNFRBKRXSA-N 2 2 214.269 -0.959 20 0 BBADLP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424331779 387976909 /nfs/dbraw/zinc/97/69/09/387976909.db2.gz JVZNAEUMUUIAEC-GHMZBOCLSA-N 2 2 243.351 -0.001 20 0 BBADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)NC(N)=O ZINC000424331959 387976634 /nfs/dbraw/zinc/97/66/34/387976634.db2.gz KERNLSDCXJYIBI-BWZBUEFSSA-N 2 2 228.296 -0.571 20 0 BBADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)NC(N)=O ZINC000424331965 387976870 /nfs/dbraw/zinc/97/68/70/387976870.db2.gz KERNLSDCXJYIBI-XLPZGREQSA-N 2 2 228.296 -0.571 20 0 BBADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000424333659 387977400 /nfs/dbraw/zinc/97/74/00/387977400.db2.gz MFSXGIKPKLQZIH-GHMZBOCLSA-N 2 2 241.335 -0.295 20 0 BBADLP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424338122 387981042 /nfs/dbraw/zinc/98/10/42/387981042.db2.gz TUKIQUNFUMHLIS-DJLDLDEBSA-N 2 2 242.323 -0.310 20 0 BBADLP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424338125 387979900 /nfs/dbraw/zinc/97/99/00/387979900.db2.gz TUKIQUNFUMHLIS-IWSPIJDZSA-N 2 2 242.323 -0.310 20 0 BBADLP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424338197 387979766 /nfs/dbraw/zinc/97/97/66/387979766.db2.gz UBVRUSGYURYUPL-RKDXNWHRSA-N 2 2 242.323 -0.308 20 0 BBADLP CN(C)c1[nH+]cc(C[NH2+]C2(C(N)=O)CC2)n1C ZINC000425347197 386859775 /nfs/dbraw/zinc/85/97/75/386859775.db2.gz XMIOTGJTXADGDQ-UHFFFAOYSA-N 2 2 237.307 -0.406 20 0 BBADLP C[C@@H](O)CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000425381252 387033544 /nfs/dbraw/zinc/03/35/44/387033544.db2.gz FKZMZKYSVCBVTR-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP C[C@H](O)CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000425381255 387033842 /nfs/dbraw/zinc/03/38/42/387033842.db2.gz FKZMZKYSVCBVTR-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP C(NC1=[NH+]CCCN1)[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000427460801 191075645 /nfs/dbraw/zinc/07/56/45/191075645.db2.gz XVNZLMMNTGILSU-LLVKDONJSA-N 2 2 238.335 -0.212 20 0 BBADLP C(NC1=[NH+]CCCN1)[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000427460801 191075642 /nfs/dbraw/zinc/07/56/42/191075642.db2.gz XVNZLMMNTGILSU-LLVKDONJSA-N 2 2 238.335 -0.212 20 0 BBADLP C(NC1=[NH+]CCCN1)[C@H]1C[N@H+](C2CC2)CCO1 ZINC000427460802 191075910 /nfs/dbraw/zinc/07/59/10/191075910.db2.gz XVNZLMMNTGILSU-NSHDSACASA-N 2 2 238.335 -0.212 20 0 BBADLP C(NC1=[NH+]CCCN1)[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000427460802 191075907 /nfs/dbraw/zinc/07/59/07/191075907.db2.gz XVNZLMMNTGILSU-NSHDSACASA-N 2 2 238.335 -0.212 20 0 BBADLP CS(=O)(=O)NCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428044585 386512287 /nfs/dbraw/zinc/51/22/87/386512287.db2.gz LRGSGIGYVSSYQF-NXEZZACHSA-N 2 2 247.364 -0.781 20 0 BBADLP CS(=O)(=O)NCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428044585 386512280 /nfs/dbraw/zinc/51/22/80/386512280.db2.gz LRGSGIGYVSSYQF-NXEZZACHSA-N 2 2 247.364 -0.781 20 0 BBADLP CS(=O)(=O)NCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428044589 386513044 /nfs/dbraw/zinc/51/30/44/386513044.db2.gz LRGSGIGYVSSYQF-UWVGGRQHSA-N 2 2 247.364 -0.781 20 0 BBADLP CS(=O)(=O)NCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428044589 386513040 /nfs/dbraw/zinc/51/30/40/386513040.db2.gz LRGSGIGYVSSYQF-UWVGGRQHSA-N 2 2 247.364 -0.781 20 0 BBADLP CS(=O)(=O)NCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428044590 386513797 /nfs/dbraw/zinc/51/37/97/386513797.db2.gz LRGSGIGYVSSYQF-VHSXEESVSA-N 2 2 247.364 -0.781 20 0 BBADLP CS(=O)(=O)NCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428044590 386513795 /nfs/dbraw/zinc/51/37/95/386513795.db2.gz LRGSGIGYVSSYQF-VHSXEESVSA-N 2 2 247.364 -0.781 20 0 BBADLP CS(=O)(=O)NCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428044592 386512866 /nfs/dbraw/zinc/51/28/66/386512866.db2.gz LRGSGIGYVSSYQF-ZJUUUORDSA-N 2 2 247.364 -0.781 20 0 BBADLP CS(=O)(=O)NCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428044592 386512860 /nfs/dbraw/zinc/51/28/60/386512860.db2.gz LRGSGIGYVSSYQF-ZJUUUORDSA-N 2 2 247.364 -0.781 20 0 BBADLP CC[C@@H]1C[N@@H+](CCNC(=O)C[NH+](C)C)CCO1 ZINC000428065225 386547752 /nfs/dbraw/zinc/54/77/52/386547752.db2.gz DGZQXNQGLQVSNO-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP CC[C@@H]1C[N@H+](CCNC(=O)C[NH+](C)C)CCO1 ZINC000428065225 386547746 /nfs/dbraw/zinc/54/77/46/386547746.db2.gz DGZQXNQGLQVSNO-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP CC[C@H]1C[N@@H+](CCNC(=O)C[NH+](C)C)CCO1 ZINC000428065226 386546949 /nfs/dbraw/zinc/54/69/49/386546949.db2.gz DGZQXNQGLQVSNO-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP CC[C@H]1C[N@H+](CCNC(=O)C[NH+](C)C)CCO1 ZINC000428065226 386546942 /nfs/dbraw/zinc/54/69/42/386546942.db2.gz DGZQXNQGLQVSNO-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP C[NH2+]CCCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000428137183 386661270 /nfs/dbraw/zinc/66/12/70/386661270.db2.gz DZUYLOSNEZIBKQ-JTQLQIEISA-N 2 2 229.324 -0.567 20 0 BBADLP C[NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000428137184 386661672 /nfs/dbraw/zinc/66/16/72/386661672.db2.gz DZUYLOSNEZIBKQ-SNVBAGLBSA-N 2 2 229.324 -0.567 20 0 BBADLP C[C@H](C(=O)N1CC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000428380825 191102490 /nfs/dbraw/zinc/10/24/90/191102490.db2.gz ZTVIPHDZDHWAEX-NXEZZACHSA-N 2 2 227.308 -0.733 20 0 BBADLP C[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000428380831 191102120 /nfs/dbraw/zinc/10/21/20/191102120.db2.gz ZTVIPHDZDHWAEX-VHSXEESVSA-N 2 2 227.308 -0.733 20 0 BBADLP C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000428457199 201019434 /nfs/dbraw/zinc/01/94/34/201019434.db2.gz MFPBCXPKHXHLDB-GHMZBOCLSA-N 2 2 241.335 -0.473 20 0 BBADLP C[NH2+][C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000428457206 201019252 /nfs/dbraw/zinc/01/92/52/201019252.db2.gz MFPBCXPKHXHLDB-MNOVXSKESA-N 2 2 241.335 -0.473 20 0 BBADLP C[NH2+][C@H]1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)C1 ZINC000428457208 201019817 /nfs/dbraw/zinc/01/98/17/201019817.db2.gz MFPBCXPKHXHLDB-QWRGUYRKSA-N 2 2 241.335 -0.473 20 0 BBADLP C[NH2+][C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)C1 ZINC000428457209 201019953 /nfs/dbraw/zinc/01/99/53/201019953.db2.gz MFPBCXPKHXHLDB-WDEREUQCSA-N 2 2 241.335 -0.473 20 0 BBADLP C[C@H](C(=O)NCCC[NH3+])[NH+]1CCOCC1 ZINC000428493639 201026988 /nfs/dbraw/zinc/02/69/88/201026988.db2.gz ISDODTFESYBACM-SECBINFHSA-N 2 2 215.297 -0.828 20 0 BBADLP C[C@@H](C(=O)NCCC[NH3+])[NH+]1CCOCC1 ZINC000428493640 201026414 /nfs/dbraw/zinc/02/64/14/201026414.db2.gz ISDODTFESYBACM-VIFPVBQESA-N 2 2 215.297 -0.828 20 0 BBADLP C[C@@H](C(=O)N1CCC([NH3+])CC1)[NH+]1CCOCC1 ZINC000428757097 201041957 /nfs/dbraw/zinc/04/19/57/201041957.db2.gz HDFPHJXLHWHMPA-JTQLQIEISA-N 2 2 241.335 -0.343 20 0 BBADLP C[C@H](C(=O)N1CCC([NH3+])CC1)[NH+]1CCOCC1 ZINC000428757102 201041733 /nfs/dbraw/zinc/04/17/33/201041733.db2.gz HDFPHJXLHWHMPA-SNVBAGLBSA-N 2 2 241.335 -0.343 20 0 BBADLP C[C@H](C(=O)NC(C)(C)C[NH3+])[NH+]1CCOCC1 ZINC000428916279 201050281 /nfs/dbraw/zinc/05/02/81/201050281.db2.gz SJRDZFAJJWPDQF-SECBINFHSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@@H](C(=O)NC(C)(C)C[NH3+])[NH+]1CCOCC1 ZINC000428916280 201048844 /nfs/dbraw/zinc/04/88/44/201048844.db2.gz SJRDZFAJJWPDQF-VIFPVBQESA-N 2 2 229.324 -0.439 20 0 BBADLP CNC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000428995498 201059549 /nfs/dbraw/zinc/05/95/49/201059549.db2.gz OOGBJQGMSKGZRB-LLVKDONJSA-N 2 2 211.309 -0.240 20 0 BBADLP CNC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000428995498 201059544 /nfs/dbraw/zinc/05/95/44/201059544.db2.gz OOGBJQGMSKGZRB-LLVKDONJSA-N 2 2 211.309 -0.240 20 0 BBADLP CNC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000428995498 201059541 /nfs/dbraw/zinc/05/95/41/201059541.db2.gz OOGBJQGMSKGZRB-LLVKDONJSA-N 2 2 211.309 -0.240 20 0 BBADLP CNC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000428995498 201059537 /nfs/dbraw/zinc/05/95/37/201059537.db2.gz OOGBJQGMSKGZRB-LLVKDONJSA-N 2 2 211.309 -0.240 20 0 BBADLP CNC(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000428995505 201060005 /nfs/dbraw/zinc/06/00/05/201060005.db2.gz OOGBJQGMSKGZRB-NSHDSACASA-N 2 2 211.309 -0.240 20 0 BBADLP CNC(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000428995505 201059999 /nfs/dbraw/zinc/05/99/99/201059999.db2.gz OOGBJQGMSKGZRB-NSHDSACASA-N 2 2 211.309 -0.240 20 0 BBADLP CNC(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000428995505 201059997 /nfs/dbraw/zinc/05/99/97/201059997.db2.gz OOGBJQGMSKGZRB-NSHDSACASA-N 2 2 211.309 -0.240 20 0 BBADLP CNC(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000428995505 201059994 /nfs/dbraw/zinc/05/99/94/201059994.db2.gz OOGBJQGMSKGZRB-NSHDSACASA-N 2 2 211.309 -0.240 20 0 BBADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)NC(N)=O)C2)C1 ZINC000429034144 201060878 /nfs/dbraw/zinc/06/08/78/201060878.db2.gz HGSNVEMHOYYJDK-LLVKDONJSA-N 2 2 240.307 -0.791 20 0 BBADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)NC(N)=O)C2)C1 ZINC000429034144 201060874 /nfs/dbraw/zinc/06/08/74/201060874.db2.gz HGSNVEMHOYYJDK-LLVKDONJSA-N 2 2 240.307 -0.791 20 0 BBADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC000429034144 201060871 /nfs/dbraw/zinc/06/08/71/201060871.db2.gz HGSNVEMHOYYJDK-LLVKDONJSA-N 2 2 240.307 -0.791 20 0 BBADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC000429034144 201060869 /nfs/dbraw/zinc/06/08/69/201060869.db2.gz HGSNVEMHOYYJDK-LLVKDONJSA-N 2 2 240.307 -0.791 20 0 BBADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)NC(N)=O)C2)C1 ZINC000429034145 201062248 /nfs/dbraw/zinc/06/22/48/201062248.db2.gz HGSNVEMHOYYJDK-NSHDSACASA-N 2 2 240.307 -0.791 20 0 BBADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)NC(N)=O)C2)C1 ZINC000429034145 201062245 /nfs/dbraw/zinc/06/22/45/201062245.db2.gz HGSNVEMHOYYJDK-NSHDSACASA-N 2 2 240.307 -0.791 20 0 BBADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC000429034145 201062243 /nfs/dbraw/zinc/06/22/43/201062243.db2.gz HGSNVEMHOYYJDK-NSHDSACASA-N 2 2 240.307 -0.791 20 0 BBADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC000429034145 201062239 /nfs/dbraw/zinc/06/22/39/201062239.db2.gz HGSNVEMHOYYJDK-NSHDSACASA-N 2 2 240.307 -0.791 20 0 BBADLP C[C@@H]([NH3+])CCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000429045193 201062747 /nfs/dbraw/zinc/06/27/47/201062747.db2.gz SFFGTFUPURSMKI-NXEZZACHSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@H]([NH3+])CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000429045195 201063540 /nfs/dbraw/zinc/06/35/40/201063540.db2.gz SFFGTFUPURSMKI-UWVGGRQHSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@H](C(=O)NCC[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000429045196 201064733 /nfs/dbraw/zinc/06/47/33/201064733.db2.gz SFFGTFUPURSMKI-VHSXEESVSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@@H]([NH3+])CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000429045198 201064102 /nfs/dbraw/zinc/06/41/02/201064102.db2.gz SFFGTFUPURSMKI-ZJUUUORDSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@H](C(=O)N1CC[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000429059723 201062550 /nfs/dbraw/zinc/06/25/50/201062550.db2.gz BEPPLVXIEDKQOL-GHMZBOCLSA-N 2 2 241.335 -0.486 20 0 BBADLP C[C@H](C(=O)N1CC[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000429059724 201063642 /nfs/dbraw/zinc/06/36/42/201063642.db2.gz BEPPLVXIEDKQOL-MNOVXSKESA-N 2 2 241.335 -0.486 20 0 BBADLP C[C@@H](C(=O)N1CC[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000429059725 201063340 /nfs/dbraw/zinc/06/33/40/201063340.db2.gz BEPPLVXIEDKQOL-QWRGUYRKSA-N 2 2 241.335 -0.486 20 0 BBADLP C[C@@H](C(=O)N1CC[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000429059726 201064417 /nfs/dbraw/zinc/06/44/17/201064417.db2.gz BEPPLVXIEDKQOL-WDEREUQCSA-N 2 2 241.335 -0.486 20 0 BBADLP C[C@@H](C(=O)N1CC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000429067143 201065841 /nfs/dbraw/zinc/06/58/41/201065841.db2.gz ZTVIPHDZDHWAEX-UWVGGRQHSA-N 2 2 227.308 -0.733 20 0 BBADLP C[C@H](C(=O)N1CC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000429067144 201066722 /nfs/dbraw/zinc/06/67/22/201066722.db2.gz ZTVIPHDZDHWAEX-ZJUUUORDSA-N 2 2 227.308 -0.733 20 0 BBADLP C[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000429086585 201066642 /nfs/dbraw/zinc/06/66/42/201066642.db2.gz AWRAGJZGEIUXTL-SECBINFHSA-N 2 2 215.297 -0.957 20 0 BBADLP C[NH2+]CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000429086586 201066515 /nfs/dbraw/zinc/06/65/15/201066515.db2.gz AWRAGJZGEIUXTL-VIFPVBQESA-N 2 2 215.297 -0.957 20 0 BBADLP CC[NH2+]CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000429088496 201065521 /nfs/dbraw/zinc/06/55/21/201065521.db2.gz AWUUHUPRQFMZNW-JTQLQIEISA-N 2 2 229.324 -0.567 20 0 BBADLP CC[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000429088497 201066729 /nfs/dbraw/zinc/06/67/29/201066729.db2.gz AWUUHUPRQFMZNW-SNVBAGLBSA-N 2 2 229.324 -0.567 20 0 BBADLP CCC[NH+](CC(N)=O)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000429175012 201077711 /nfs/dbraw/zinc/07/77/11/201077711.db2.gz HNVPFGCJCABVOB-LLVKDONJSA-N 2 2 243.351 -0.361 20 0 BBADLP CCC[NH+](CC(N)=O)C[C@H](O)C[N@H+](C)C1CC1 ZINC000429175012 201077709 /nfs/dbraw/zinc/07/77/09/201077709.db2.gz HNVPFGCJCABVOB-LLVKDONJSA-N 2 2 243.351 -0.361 20 0 BBADLP CCC[N@H+](CC(N)=O)C[C@H](O)C[NH+](C)C1CC1 ZINC000429175012 201077707 /nfs/dbraw/zinc/07/77/07/201077707.db2.gz HNVPFGCJCABVOB-LLVKDONJSA-N 2 2 243.351 -0.361 20 0 BBADLP CCC[N@@H+](CC(N)=O)C[C@H](O)C[NH+](C)C1CC1 ZINC000429175012 201077704 /nfs/dbraw/zinc/07/77/04/201077704.db2.gz HNVPFGCJCABVOB-LLVKDONJSA-N 2 2 243.351 -0.361 20 0 BBADLP CCC[NH+](CC(N)=O)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000429175013 201076242 /nfs/dbraw/zinc/07/62/42/201076242.db2.gz HNVPFGCJCABVOB-NSHDSACASA-N 2 2 243.351 -0.361 20 0 BBADLP CCC[NH+](CC(N)=O)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000429175013 201076241 /nfs/dbraw/zinc/07/62/41/201076241.db2.gz HNVPFGCJCABVOB-NSHDSACASA-N 2 2 243.351 -0.361 20 0 BBADLP CCC[N@H+](CC(N)=O)C[C@@H](O)C[NH+](C)C1CC1 ZINC000429175013 201076237 /nfs/dbraw/zinc/07/62/37/201076237.db2.gz HNVPFGCJCABVOB-NSHDSACASA-N 2 2 243.351 -0.361 20 0 BBADLP CCC[N@@H+](CC(N)=O)C[C@@H](O)C[NH+](C)C1CC1 ZINC000429175013 201076235 /nfs/dbraw/zinc/07/62/35/201076235.db2.gz HNVPFGCJCABVOB-NSHDSACASA-N 2 2 243.351 -0.361 20 0 BBADLP C[C@H](C[NH3+])N(C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000429321473 201101147 /nfs/dbraw/zinc/10/11/47/201101147.db2.gz YBIAWOFBLHZFJF-NXEZZACHSA-N 2 2 229.324 -0.487 20 0 BBADLP C[C@@H](C[NH3+])N(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000429321477 201100365 /nfs/dbraw/zinc/10/03/65/201100365.db2.gz YBIAWOFBLHZFJF-UWVGGRQHSA-N 2 2 229.324 -0.487 20 0 BBADLP C[C@H](C(=O)N(C)[C@@H](C)C[NH3+])[NH+]1CCOCC1 ZINC000429321479 201101832 /nfs/dbraw/zinc/10/18/32/201101832.db2.gz YBIAWOFBLHZFJF-VHSXEESVSA-N 2 2 229.324 -0.487 20 0 BBADLP C[C@H](C[NH3+])N(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000429321481 201100420 /nfs/dbraw/zinc/10/04/20/201100420.db2.gz YBIAWOFBLHZFJF-ZJUUUORDSA-N 2 2 229.324 -0.487 20 0 BBADLP C[C@H](C(=O)N1CC[NH2+][C@H](C)C1)[NH+]1CCOCC1 ZINC000429346784 201104008 /nfs/dbraw/zinc/10/40/08/201104008.db2.gz GYMNQVPLXVXEPT-GHMZBOCLSA-N 2 2 241.335 -0.473 20 0 BBADLP C[C@@H](C(=O)N1CC[NH2+][C@H](C)C1)[NH+]1CCOCC1 ZINC000429346785 201104286 /nfs/dbraw/zinc/10/42/86/201104286.db2.gz GYMNQVPLXVXEPT-MNOVXSKESA-N 2 2 241.335 -0.473 20 0 BBADLP C[C@@H](C(=O)N1CC[NH2+][C@@H](C)C1)[NH+]1CCOCC1 ZINC000429346786 201104059 /nfs/dbraw/zinc/10/40/59/201104059.db2.gz GYMNQVPLXVXEPT-QWRGUYRKSA-N 2 2 241.335 -0.473 20 0 BBADLP C[C@H](C(=O)N1CC[NH2+][C@@H](C)C1)[NH+]1CCOCC1 ZINC000429346787 201103377 /nfs/dbraw/zinc/10/33/77/201103377.db2.gz GYMNQVPLXVXEPT-WDEREUQCSA-N 2 2 241.335 -0.473 20 0 BBADLP C[NH+](C)CC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000429614740 201122130 /nfs/dbraw/zinc/12/21/30/201122130.db2.gz YOCFIHZTCCKCTA-SECBINFHSA-N 2 2 222.292 -0.124 20 0 BBADLP C[NH+](C)CC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000429614741 201121101 /nfs/dbraw/zinc/12/11/01/201121101.db2.gz YOCFIHZTCCKCTA-VIFPVBQESA-N 2 2 222.292 -0.124 20 0 BBADLP C[C@H](C(=O)N1CCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000429661485 201125012 /nfs/dbraw/zinc/12/50/12/201125012.db2.gz PIVCJEFXLAVPCQ-GHMZBOCLSA-N 2 2 241.335 -0.343 20 0 BBADLP C[C@H](C(=O)N1CCC[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000429661487 201123799 /nfs/dbraw/zinc/12/37/99/201123799.db2.gz PIVCJEFXLAVPCQ-MNOVXSKESA-N 2 2 241.335 -0.343 20 0 BBADLP C[C@@H](C(=O)N1CCC[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000429661489 201123258 /nfs/dbraw/zinc/12/32/58/201123258.db2.gz PIVCJEFXLAVPCQ-QWRGUYRKSA-N 2 2 241.335 -0.343 20 0 BBADLP C[C@@H](C(=O)N1CCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000429661490 201124951 /nfs/dbraw/zinc/12/49/51/201124951.db2.gz PIVCJEFXLAVPCQ-WDEREUQCSA-N 2 2 241.335 -0.343 20 0 BBADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N1CCOCC1 ZINC000430550729 387627468 /nfs/dbraw/zinc/62/74/68/387627468.db2.gz KTBMMONMNFRWSU-GFCCVEGCSA-N 2 2 243.351 -0.192 20 0 BBADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N1CCOCC1 ZINC000430550730 387628094 /nfs/dbraw/zinc/62/80/94/387628094.db2.gz KTBMMONMNFRWSU-LBPRGKRZSA-N 2 2 243.351 -0.192 20 0 BBADLP CCOCCNC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430563911 398228296 /nfs/dbraw/zinc/22/82/96/398228296.db2.gz XZDYJSNKJZTAEE-GFCCVEGCSA-N 2 2 243.351 -0.144 20 0 BBADLP CCOCCNC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430563912 398228012 /nfs/dbraw/zinc/22/80/12/398228012.db2.gz XZDYJSNKJZTAEE-LBPRGKRZSA-N 2 2 243.351 -0.144 20 0 BBADLP CCNC(=O)NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430564519 398227687 /nfs/dbraw/zinc/22/76/87/398227687.db2.gz BQWZNRQVYVMPSJ-LLVKDONJSA-N 2 2 244.339 -0.205 20 0 BBADLP CCNC(=O)NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430564520 398227537 /nfs/dbraw/zinc/22/75/37/398227537.db2.gz BQWZNRQVYVMPSJ-NSHDSACASA-N 2 2 244.339 -0.205 20 0 BBADLP CNC(=O)NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430572224 398229070 /nfs/dbraw/zinc/22/90/70/398229070.db2.gz NSGPLQQVVOEQKF-JTQLQIEISA-N 2 2 230.312 -0.595 20 0 BBADLP CNC(=O)NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430572226 398228783 /nfs/dbraw/zinc/22/87/83/398228783.db2.gz NSGPLQQVVOEQKF-SNVBAGLBSA-N 2 2 230.312 -0.595 20 0 BBADLP CNS(=O)(=O)CCC[N@H+]1CCC[C@H]1C[NH2+]C ZINC000430574935 398229420 /nfs/dbraw/zinc/22/94/20/398229420.db2.gz UBBNITVTPMDBGN-JTQLQIEISA-N 2 2 249.380 -0.391 20 0 BBADLP CNS(=O)(=O)CCC[N@@H+]1CCC[C@H]1C[NH2+]C ZINC000430574935 398229415 /nfs/dbraw/zinc/22/94/15/398229415.db2.gz UBBNITVTPMDBGN-JTQLQIEISA-N 2 2 249.380 -0.391 20 0 BBADLP CNS(=O)(=O)CCC[N@H+]1CCC[C@@H]1C[NH2+]C ZINC000430574941 398228827 /nfs/dbraw/zinc/22/88/27/398228827.db2.gz UBBNITVTPMDBGN-SNVBAGLBSA-N 2 2 249.380 -0.391 20 0 BBADLP CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H]1C[NH2+]C ZINC000430574941 398228823 /nfs/dbraw/zinc/22/88/23/398228823.db2.gz UBBNITVTPMDBGN-SNVBAGLBSA-N 2 2 249.380 -0.391 20 0 BBADLP CCNC(=O)NC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430579293 387630450 /nfs/dbraw/zinc/63/04/50/387630450.db2.gz CBVSBRSDOVXOTH-LLVKDONJSA-N 2 2 242.323 -0.451 20 0 BBADLP CCNC(=O)NC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430579294 387631567 /nfs/dbraw/zinc/63/15/67/387631567.db2.gz CBVSBRSDOVXOTH-NSHDSACASA-N 2 2 242.323 -0.451 20 0 BBADLP CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@H]1C[NH3+] ZINC000430580663 387629615 /nfs/dbraw/zinc/62/96/15/387629615.db2.gz MQFUDEUTTZZOOB-JTQLQIEISA-N 2 2 249.380 -0.309 20 0 BBADLP CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000430580663 387629611 /nfs/dbraw/zinc/62/96/11/387629611.db2.gz MQFUDEUTTZZOOB-JTQLQIEISA-N 2 2 249.380 -0.309 20 0 BBADLP CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000430580666 387629971 /nfs/dbraw/zinc/62/99/71/387629971.db2.gz MQFUDEUTTZZOOB-SNVBAGLBSA-N 2 2 249.380 -0.309 20 0 BBADLP CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000430580666 387629970 /nfs/dbraw/zinc/62/99/70/387629970.db2.gz MQFUDEUTTZZOOB-SNVBAGLBSA-N 2 2 249.380 -0.309 20 0 BBADLP CNC(=O)NC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430591829 387629657 /nfs/dbraw/zinc/62/96/57/387629657.db2.gz OTCOLJIVQKJFMU-JTQLQIEISA-N 2 2 228.296 -0.841 20 0 BBADLP CNC(=O)NC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430591833 387631644 /nfs/dbraw/zinc/63/16/44/387631644.db2.gz OTCOLJIVQKJFMU-SNVBAGLBSA-N 2 2 228.296 -0.841 20 0 BBADLP CCS(=O)(=O)NCC[N@@H+](C)C1CC[NH2+]CC1 ZINC000430605405 387633042 /nfs/dbraw/zinc/63/30/42/387633042.db2.gz SQOTWGKFZFLHEK-UHFFFAOYSA-N 2 2 249.380 -0.391 20 0 BBADLP CCS(=O)(=O)NCC[N@H+](C)C1CC[NH2+]CC1 ZINC000430605405 387633035 /nfs/dbraw/zinc/63/30/35/387633035.db2.gz SQOTWGKFZFLHEK-UHFFFAOYSA-N 2 2 249.380 -0.391 20 0 BBADLP [NH3+][C@@H]1CC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000430606777 387633444 /nfs/dbraw/zinc/63/34/44/387633444.db2.gz WKAAMTSVJZBNHJ-SNVBAGLBSA-N 2 2 227.308 -0.732 20 0 BBADLP [NH3+][C@@H]1CC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000430606777 387633442 /nfs/dbraw/zinc/63/34/42/387633442.db2.gz WKAAMTSVJZBNHJ-SNVBAGLBSA-N 2 2 227.308 -0.732 20 0 BBADLP CCS(=O)(=O)NCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430611864 387633469 /nfs/dbraw/zinc/63/34/69/387633469.db2.gz PXFGQFUXCSJIIM-JTQLQIEISA-N 2 2 249.380 -0.404 20 0 BBADLP CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430611864 387633466 /nfs/dbraw/zinc/63/34/66/387633466.db2.gz PXFGQFUXCSJIIM-JTQLQIEISA-N 2 2 249.380 -0.404 20 0 BBADLP CCS(=O)(=O)NCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430611866 387633763 /nfs/dbraw/zinc/63/37/63/387633763.db2.gz PXFGQFUXCSJIIM-SNVBAGLBSA-N 2 2 249.380 -0.404 20 0 BBADLP CCS(=O)(=O)NCC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430611866 387633755 /nfs/dbraw/zinc/63/37/55/387633755.db2.gz PXFGQFUXCSJIIM-SNVBAGLBSA-N 2 2 249.380 -0.404 20 0 BBADLP CCOCCNC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000430623546 387636378 /nfs/dbraw/zinc/63/63/78/387636378.db2.gz HDDMIUMQOYJWRZ-UHFFFAOYSA-N 2 2 243.351 -0.177 20 0 BBADLP CCOCCNC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000430623546 387636362 /nfs/dbraw/zinc/63/63/62/387636362.db2.gz HDDMIUMQOYJWRZ-UHFFFAOYSA-N 2 2 243.351 -0.177 20 0 BBADLP C[NH2+][C@@H]1CC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000430626466 387636189 /nfs/dbraw/zinc/63/61/89/387636189.db2.gz LAIOKVVBDDVESN-LLVKDONJSA-N 2 2 241.335 -0.471 20 0 BBADLP C[NH2+][C@@H]1CC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000430626466 387636182 /nfs/dbraw/zinc/63/61/82/387636182.db2.gz LAIOKVVBDDVESN-LLVKDONJSA-N 2 2 241.335 -0.471 20 0 BBADLP C[NH2+][C@H]1CC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000430626467 387636610 /nfs/dbraw/zinc/63/66/10/387636610.db2.gz LAIOKVVBDDVESN-NSHDSACASA-N 2 2 241.335 -0.471 20 0 BBADLP C[NH2+][C@H]1CC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000430626467 387636606 /nfs/dbraw/zinc/63/66/06/387636606.db2.gz LAIOKVVBDDVESN-NSHDSACASA-N 2 2 241.335 -0.471 20 0 BBADLP [NH3+][C@H]1CC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000430632052 387636072 /nfs/dbraw/zinc/63/60/72/387636072.db2.gz WKAAMTSVJZBNHJ-JTQLQIEISA-N 2 2 227.308 -0.732 20 0 BBADLP [NH3+][C@H]1CC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000430632052 387636069 /nfs/dbraw/zinc/63/60/69/387636069.db2.gz WKAAMTSVJZBNHJ-JTQLQIEISA-N 2 2 227.308 -0.732 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000430634570 387636314 /nfs/dbraw/zinc/63/63/14/387636314.db2.gz DQFLKMAIEPBIEY-JTQLQIEISA-N 2 2 249.380 -0.533 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC000430634570 387636310 /nfs/dbraw/zinc/63/63/10/387636310.db2.gz DQFLKMAIEPBIEY-JTQLQIEISA-N 2 2 249.380 -0.533 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000430634572 387636217 /nfs/dbraw/zinc/63/62/17/387636217.db2.gz DQFLKMAIEPBIEY-SNVBAGLBSA-N 2 2 249.380 -0.533 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC000430634572 387636213 /nfs/dbraw/zinc/63/62/13/387636213.db2.gz DQFLKMAIEPBIEY-SNVBAGLBSA-N 2 2 249.380 -0.533 20 0 BBADLP CNS(=O)(=O)CCC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000430640410 387635689 /nfs/dbraw/zinc/63/56/89/387635689.db2.gz JYJMIPLLGVXCJJ-JTQLQIEISA-N 2 2 249.380 -0.261 20 0 BBADLP CNS(=O)(=O)CCC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000430640410 387635684 /nfs/dbraw/zinc/63/56/84/387635684.db2.gz JYJMIPLLGVXCJJ-JTQLQIEISA-N 2 2 249.380 -0.261 20 0 BBADLP CNS(=O)(=O)CCC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000430640411 387634962 /nfs/dbraw/zinc/63/49/62/387634962.db2.gz JYJMIPLLGVXCJJ-SNVBAGLBSA-N 2 2 249.380 -0.261 20 0 BBADLP CNS(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000430640411 387634957 /nfs/dbraw/zinc/63/49/57/387634957.db2.gz JYJMIPLLGVXCJJ-SNVBAGLBSA-N 2 2 249.380 -0.261 20 0 BBADLP CCOCCNC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430666373 387638489 /nfs/dbraw/zinc/63/84/89/387638489.db2.gz NWOIFSRNBITADE-LLVKDONJSA-N 2 2 243.351 -0.190 20 0 BBADLP CCOCCNC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430666373 387638483 /nfs/dbraw/zinc/63/84/83/387638483.db2.gz NWOIFSRNBITADE-LLVKDONJSA-N 2 2 243.351 -0.190 20 0 BBADLP CCOCCNC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430666374 387637869 /nfs/dbraw/zinc/63/78/69/387637869.db2.gz NWOIFSRNBITADE-NSHDSACASA-N 2 2 243.351 -0.190 20 0 BBADLP CCOCCNC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430666374 387637864 /nfs/dbraw/zinc/63/78/64/387637864.db2.gz NWOIFSRNBITADE-NSHDSACASA-N 2 2 243.351 -0.190 20 0 BBADLP C[C@H](CNC(=O)[C@H](C)[NH3+])Cn1cc[nH+]c1 ZINC000430691559 387641029 /nfs/dbraw/zinc/64/10/29/387641029.db2.gz MZIVPHDZUCBEAJ-BDAKNGLRSA-N 2 2 210.281 -0.017 20 0 BBADLP C[C@@H]([NH3+])C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000430691560 387640100 /nfs/dbraw/zinc/64/01/00/387640100.db2.gz MZIVPHDZUCBEAJ-DTWKUNHWSA-N 2 2 210.281 -0.017 20 0 BBADLP C[C@H]([NH3+])C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000430691561 387641103 /nfs/dbraw/zinc/64/11/03/387641103.db2.gz MZIVPHDZUCBEAJ-IUCAKERBSA-N 2 2 210.281 -0.017 20 0 BBADLP C[C@@H]([NH3+])C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000430691562 387639865 /nfs/dbraw/zinc/63/98/65/387639865.db2.gz MZIVPHDZUCBEAJ-RKDXNWHRSA-N 2 2 210.281 -0.017 20 0 BBADLP C[C@H](CNC(=O)CC[NH3+])Cn1cc[nH+]c1 ZINC000430693883 387640731 /nfs/dbraw/zinc/64/07/31/387640731.db2.gz ISKXNSFQDRDERA-SECBINFHSA-N 2 2 210.281 -0.016 20 0 BBADLP C[C@@H](CNC(=O)CC[NH3+])Cn1cc[nH+]c1 ZINC000430693884 387639834 /nfs/dbraw/zinc/63/98/34/387639834.db2.gz ISKXNSFQDRDERA-VIFPVBQESA-N 2 2 210.281 -0.016 20 0 BBADLP O=C(C[NH2+]C[C@H]1CCCO1)NCc1[nH]cc[nH+]1 ZINC000430721044 387644272 /nfs/dbraw/zinc/64/42/72/387644272.db2.gz BNSYGOYTRATUNB-SECBINFHSA-N 2 2 238.291 -0.206 20 0 BBADLP O=C(C[NH2+]C[C@@H]1CCCO1)NCc1[nH]cc[nH+]1 ZINC000430721046 387644723 /nfs/dbraw/zinc/64/47/23/387644723.db2.gz BNSYGOYTRATUNB-VIFPVBQESA-N 2 2 238.291 -0.206 20 0 BBADLP COCC[NH+]1CCN(C(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000430741341 387646235 /nfs/dbraw/zinc/64/62/35/387646235.db2.gz SLGXHTIBTFMBEY-LLVKDONJSA-N 2 2 243.351 -0.240 20 0 BBADLP CC[C@H]([NH3+])C(=O)N1CC[NH+](CCOC)CC1 ZINC000430747306 387646900 /nfs/dbraw/zinc/64/69/00/387646900.db2.gz WNSFHSOVQKJYLK-JTQLQIEISA-N 2 2 229.324 -0.486 20 0 BBADLP C[NH+](C)C1CC[NH+](CCNC(=O)CC[NH3+])CC1 ZINC000430772171 387649330 /nfs/dbraw/zinc/64/93/30/387649330.db2.gz KDWHQIUHHXVUKM-UHFFFAOYSA-N 3 2 242.367 -0.523 20 0 BBADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(C)(C)C[NH3+] ZINC000430877911 387656903 /nfs/dbraw/zinc/65/69/03/387656903.db2.gz GGTCSAKISOHDDD-JTQLQIEISA-N 2 2 243.351 -0.192 20 0 BBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(C)(C)C[NH3+] ZINC000430877911 387656899 /nfs/dbraw/zinc/65/68/99/387656899.db2.gz GGTCSAKISOHDDD-JTQLQIEISA-N 2 2 243.351 -0.192 20 0 BBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(C)(C)C[NH3+] ZINC000430877912 387656857 /nfs/dbraw/zinc/65/68/57/387656857.db2.gz GGTCSAKISOHDDD-SNVBAGLBSA-N 2 2 243.351 -0.192 20 0 BBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(C)(C)C[NH3+] ZINC000430877912 387656854 /nfs/dbraw/zinc/65/68/54/387656854.db2.gz GGTCSAKISOHDDD-SNVBAGLBSA-N 2 2 243.351 -0.192 20 0 BBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(C)(C)[NH3+] ZINC000430881690 387657302 /nfs/dbraw/zinc/65/73/02/387657302.db2.gz DKMGXDNIUWMABY-SECBINFHSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(C)(C)[NH3+] ZINC000430881690 387657298 /nfs/dbraw/zinc/65/72/98/387657298.db2.gz DKMGXDNIUWMABY-SECBINFHSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(C)(C)[NH3+] ZINC000430881691 387656690 /nfs/dbraw/zinc/65/66/90/387656690.db2.gz DKMGXDNIUWMABY-VIFPVBQESA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(C)(C)[NH3+] ZINC000430881691 387656689 /nfs/dbraw/zinc/65/66/89/387656689.db2.gz DKMGXDNIUWMABY-VIFPVBQESA-N 2 2 229.324 -0.439 20 0 BBADLP C[NH2+]CCCC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000430882271 192895220 /nfs/dbraw/zinc/89/52/20/192895220.db2.gz IZFZZJNYGALIBG-LLVKDONJSA-N 2 2 243.351 -0.177 20 0 BBADLP C[NH2+]CCCC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000430882271 192895218 /nfs/dbraw/zinc/89/52/18/192895218.db2.gz IZFZZJNYGALIBG-LLVKDONJSA-N 2 2 243.351 -0.177 20 0 BBADLP C[NH2+]CCCC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000430882272 387655742 /nfs/dbraw/zinc/65/57/42/387655742.db2.gz IZFZZJNYGALIBG-NSHDSACASA-N 2 2 243.351 -0.177 20 0 BBADLP C[NH2+]CCCC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000430882272 387655737 /nfs/dbraw/zinc/65/57/37/387655737.db2.gz IZFZZJNYGALIBG-NSHDSACASA-N 2 2 243.351 -0.177 20 0 BBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000430892188 387659380 /nfs/dbraw/zinc/65/93/80/387659380.db2.gz BNOIUPNWRGQLHX-GHMZBOCLSA-N 2 2 241.335 -0.567 20 0 BBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000430892188 387659375 /nfs/dbraw/zinc/65/93/75/387659375.db2.gz BNOIUPNWRGQLHX-GHMZBOCLSA-N 2 2 241.335 -0.567 20 0 BBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000430892189 387659178 /nfs/dbraw/zinc/65/91/78/387659178.db2.gz BNOIUPNWRGQLHX-MNOVXSKESA-N 2 2 241.335 -0.567 20 0 BBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000430892189 387659175 /nfs/dbraw/zinc/65/91/75/387659175.db2.gz BNOIUPNWRGQLHX-MNOVXSKESA-N 2 2 241.335 -0.567 20 0 BBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000430892190 387659142 /nfs/dbraw/zinc/65/91/42/387659142.db2.gz BNOIUPNWRGQLHX-QWRGUYRKSA-N 2 2 241.335 -0.567 20 0 BBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000430892190 387659138 /nfs/dbraw/zinc/65/91/38/387659138.db2.gz BNOIUPNWRGQLHX-QWRGUYRKSA-N 2 2 241.335 -0.567 20 0 BBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000430892191 387659416 /nfs/dbraw/zinc/65/94/16/387659416.db2.gz BNOIUPNWRGQLHX-WDEREUQCSA-N 2 2 241.335 -0.567 20 0 BBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000430892191 387659413 /nfs/dbraw/zinc/65/94/13/387659413.db2.gz BNOIUPNWRGQLHX-WDEREUQCSA-N 2 2 241.335 -0.567 20 0 BBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CC[NH3+] ZINC000430892205 387659526 /nfs/dbraw/zinc/65/95/26/387659526.db2.gz BQCHUQFLJVSGNF-SECBINFHSA-N 2 2 215.297 -0.828 20 0 BBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CC[NH3+] ZINC000430892205 387659520 /nfs/dbraw/zinc/65/95/20/387659520.db2.gz BQCHUQFLJVSGNF-SECBINFHSA-N 2 2 215.297 -0.828 20 0 BBADLP C[C@H]1COCC[N@H+]1CCNC(=O)CC[NH3+] ZINC000430892206 387658113 /nfs/dbraw/zinc/65/81/13/387658113.db2.gz BQCHUQFLJVSGNF-VIFPVBQESA-N 2 2 215.297 -0.828 20 0 BBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CC[NH3+] ZINC000430892206 387658108 /nfs/dbraw/zinc/65/81/08/387658108.db2.gz BQCHUQFLJVSGNF-VIFPVBQESA-N 2 2 215.297 -0.828 20 0 BBADLP C[NH2+]C[C@@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000430892347 387658754 /nfs/dbraw/zinc/65/87/54/387658754.db2.gz DELYOGYZRCKNQU-GHMZBOCLSA-N 2 2 243.351 -0.321 20 0 BBADLP C[NH2+]C[C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000430892347 387658751 /nfs/dbraw/zinc/65/87/51/387658751.db2.gz DELYOGYZRCKNQU-GHMZBOCLSA-N 2 2 243.351 -0.321 20 0 BBADLP C[NH2+]C[C@@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000430892348 387658340 /nfs/dbraw/zinc/65/83/40/387658340.db2.gz DELYOGYZRCKNQU-MNOVXSKESA-N 2 2 243.351 -0.321 20 0 BBADLP C[NH2+]C[C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000430892348 387658335 /nfs/dbraw/zinc/65/83/35/387658335.db2.gz DELYOGYZRCKNQU-MNOVXSKESA-N 2 2 243.351 -0.321 20 0 BBADLP C[NH2+]C[C@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000430892349 387659455 /nfs/dbraw/zinc/65/94/55/387659455.db2.gz DELYOGYZRCKNQU-QWRGUYRKSA-N 2 2 243.351 -0.321 20 0 BBADLP C[NH2+]C[C@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000430892349 387659453 /nfs/dbraw/zinc/65/94/53/387659453.db2.gz DELYOGYZRCKNQU-QWRGUYRKSA-N 2 2 243.351 -0.321 20 0 BBADLP C[NH2+]C[C@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000430892350 387658929 /nfs/dbraw/zinc/65/89/29/387658929.db2.gz DELYOGYZRCKNQU-WDEREUQCSA-N 2 2 243.351 -0.321 20 0 BBADLP C[NH2+]C[C@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000430892350 387658926 /nfs/dbraw/zinc/65/89/26/387658926.db2.gz DELYOGYZRCKNQU-WDEREUQCSA-N 2 2 243.351 -0.321 20 0 BBADLP CC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000430894997 387658132 /nfs/dbraw/zinc/65/81/32/387658132.db2.gz REBQSLUDLHVZEL-UWVGGRQHSA-N 2 2 229.324 -0.439 20 0 BBADLP CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000430894997 387658125 /nfs/dbraw/zinc/65/81/25/387658125.db2.gz REBQSLUDLHVZEL-UWVGGRQHSA-N 2 2 229.324 -0.439 20 0 BBADLP CC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000430894998 387659320 /nfs/dbraw/zinc/65/93/20/387659320.db2.gz REBQSLUDLHVZEL-ZJUUUORDSA-N 2 2 229.324 -0.439 20 0 BBADLP CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000430894998 387659316 /nfs/dbraw/zinc/65/93/16/387659316.db2.gz REBQSLUDLHVZEL-ZJUUUORDSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@H]1COCC[N@H+]1CCNC(=O)CCC[NH3+] ZINC000430896335 387657849 /nfs/dbraw/zinc/65/78/49/387657849.db2.gz XUALJNQKGKJWSJ-JTQLQIEISA-N 2 2 229.324 -0.438 20 0 BBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CCC[NH3+] ZINC000430896335 387657844 /nfs/dbraw/zinc/65/78/44/387657844.db2.gz XUALJNQKGKJWSJ-JTQLQIEISA-N 2 2 229.324 -0.438 20 0 BBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CCC[NH3+] ZINC000430896336 387659772 /nfs/dbraw/zinc/65/97/72/387659772.db2.gz XUALJNQKGKJWSJ-SNVBAGLBSA-N 2 2 229.324 -0.438 20 0 BBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CCC[NH3+] ZINC000430896336 387659767 /nfs/dbraw/zinc/65/97/67/387659767.db2.gz XUALJNQKGKJWSJ-SNVBAGLBSA-N 2 2 229.324 -0.438 20 0 BBADLP Cc1c[nH+]ccc1NC(=O)COC1C[NH2+]C1 ZINC000430902513 387659674 /nfs/dbraw/zinc/65/96/74/387659674.db2.gz BQDOAISGQYDBLZ-UHFFFAOYSA-N 2 2 221.260 -0.261 20 0 BBADLP O=C(COC1C[NH2+]C1)N1CCn2cc[nH+]c2C1 ZINC000430913900 206062184 /nfs/dbraw/zinc/06/21/84/206062184.db2.gz ZDDCPPWCVYLTBG-UHFFFAOYSA-N 2 2 236.275 -0.786 20 0 BBADLP CCOCCNC(=O)C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000430916765 387660369 /nfs/dbraw/zinc/66/03/69/387660369.db2.gz BFWRTNYSEPHBGE-LLVKDONJSA-N 2 2 243.351 -0.320 20 0 BBADLP CCOCCNC(=O)C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000430916765 387660366 /nfs/dbraw/zinc/66/03/66/387660366.db2.gz BFWRTNYSEPHBGE-LLVKDONJSA-N 2 2 243.351 -0.320 20 0 BBADLP CCOCCNC(=O)C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000430916766 387661181 /nfs/dbraw/zinc/66/11/81/387661181.db2.gz BFWRTNYSEPHBGE-NSHDSACASA-N 2 2 243.351 -0.320 20 0 BBADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000430916766 387661177 /nfs/dbraw/zinc/66/11/77/387661177.db2.gz BFWRTNYSEPHBGE-NSHDSACASA-N 2 2 243.351 -0.320 20 0 BBADLP CCS(=O)(=O)NCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430916994 387661843 /nfs/dbraw/zinc/66/18/43/387661843.db2.gz IUSKDLASHSZXMP-NXEZZACHSA-N 2 2 249.380 -0.405 20 0 BBADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430916994 387661837 /nfs/dbraw/zinc/66/18/37/387661837.db2.gz IUSKDLASHSZXMP-NXEZZACHSA-N 2 2 249.380 -0.405 20 0 BBADLP CCS(=O)(=O)NCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430916995 387661954 /nfs/dbraw/zinc/66/19/54/387661954.db2.gz IUSKDLASHSZXMP-UWVGGRQHSA-N 2 2 249.380 -0.405 20 0 BBADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430916995 387661949 /nfs/dbraw/zinc/66/19/49/387661949.db2.gz IUSKDLASHSZXMP-UWVGGRQHSA-N 2 2 249.380 -0.405 20 0 BBADLP CCS(=O)(=O)NCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430916996 387661037 /nfs/dbraw/zinc/66/10/37/387661037.db2.gz IUSKDLASHSZXMP-VHSXEESVSA-N 2 2 249.380 -0.405 20 0 BBADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430916996 387661033 /nfs/dbraw/zinc/66/10/33/387661033.db2.gz IUSKDLASHSZXMP-VHSXEESVSA-N 2 2 249.380 -0.405 20 0 BBADLP CCS(=O)(=O)NCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430916997 387661282 /nfs/dbraw/zinc/66/12/82/387661282.db2.gz IUSKDLASHSZXMP-ZJUUUORDSA-N 2 2 249.380 -0.405 20 0 BBADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430916997 387661279 /nfs/dbraw/zinc/66/12/79/387661279.db2.gz IUSKDLASHSZXMP-ZJUUUORDSA-N 2 2 249.380 -0.405 20 0 BBADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)Nc2ccncc2)C1 ZINC000430917337 387661227 /nfs/dbraw/zinc/66/12/27/387661227.db2.gz JRYVIUMHXZXCNH-JTQLQIEISA-N 2 2 234.303 -0.277 20 0 BBADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)Nc2ccncc2)C1 ZINC000430917337 387661224 /nfs/dbraw/zinc/66/12/24/387661224.db2.gz JRYVIUMHXZXCNH-JTQLQIEISA-N 2 2 234.303 -0.277 20 0 BBADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)Nc2ccncc2)C1 ZINC000430917338 387660774 /nfs/dbraw/zinc/66/07/74/387660774.db2.gz JRYVIUMHXZXCNH-SNVBAGLBSA-N 2 2 234.303 -0.277 20 0 BBADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)Nc2ccncc2)C1 ZINC000430917338 387660770 /nfs/dbraw/zinc/66/07/70/387660770.db2.gz JRYVIUMHXZXCNH-SNVBAGLBSA-N 2 2 234.303 -0.277 20 0 BBADLP CCOCCNC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430920688 387660657 /nfs/dbraw/zinc/66/06/57/387660657.db2.gz QAHQPPRLSBGOLQ-JTQLQIEISA-N 2 2 229.324 -0.580 20 0 BBADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430920688 387660654 /nfs/dbraw/zinc/66/06/54/387660654.db2.gz QAHQPPRLSBGOLQ-JTQLQIEISA-N 2 2 229.324 -0.580 20 0 BBADLP CCOCCNC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430920689 387661043 /nfs/dbraw/zinc/66/10/43/387661043.db2.gz QAHQPPRLSBGOLQ-SNVBAGLBSA-N 2 2 229.324 -0.580 20 0 BBADLP CCOCCNC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430920689 387661042 /nfs/dbraw/zinc/66/10/42/387661042.db2.gz QAHQPPRLSBGOLQ-SNVBAGLBSA-N 2 2 229.324 -0.580 20 0 BBADLP C[C@@H](C[NH3+])[N@@H+](C)CCC(=O)N1CCOCC1 ZINC000430921610 192896731 /nfs/dbraw/zinc/89/67/31/192896731.db2.gz ZASOUMRJOTULGY-JTQLQIEISA-N 2 2 229.324 -0.486 20 0 BBADLP C[C@@H](C[NH3+])[N@H+](C)CCC(=O)N1CCOCC1 ZINC000430921610 192896729 /nfs/dbraw/zinc/89/67/29/192896729.db2.gz ZASOUMRJOTULGY-JTQLQIEISA-N 2 2 229.324 -0.486 20 0 BBADLP C[C@H](C[NH3+])[N@@H+](C)CCC(=O)N1CCOCC1 ZINC000430921611 387660463 /nfs/dbraw/zinc/66/04/63/387660463.db2.gz ZASOUMRJOTULGY-SNVBAGLBSA-N 2 2 229.324 -0.486 20 0 BBADLP C[C@H](C[NH3+])[N@H+](C)CCC(=O)N1CCOCC1 ZINC000430921611 387660460 /nfs/dbraw/zinc/66/04/60/387660460.db2.gz ZASOUMRJOTULGY-SNVBAGLBSA-N 2 2 229.324 -0.486 20 0 BBADLP CCOCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430942147 201159247 /nfs/dbraw/zinc/15/92/47/201159247.db2.gz BCRHSAGTAXLEJV-GHMZBOCLSA-N 2 2 243.351 -0.192 20 0 BBADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430942147 201159243 /nfs/dbraw/zinc/15/92/43/201159243.db2.gz BCRHSAGTAXLEJV-GHMZBOCLSA-N 2 2 243.351 -0.192 20 0 BBADLP CCOCCNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430942148 201158997 /nfs/dbraw/zinc/15/89/97/201158997.db2.gz BCRHSAGTAXLEJV-MNOVXSKESA-N 2 2 243.351 -0.192 20 0 BBADLP CCOCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430942148 201158994 /nfs/dbraw/zinc/15/89/94/201158994.db2.gz BCRHSAGTAXLEJV-MNOVXSKESA-N 2 2 243.351 -0.192 20 0 BBADLP CCOCCNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430942149 201159623 /nfs/dbraw/zinc/15/96/23/201159623.db2.gz BCRHSAGTAXLEJV-QWRGUYRKSA-N 2 2 243.351 -0.192 20 0 BBADLP CCOCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430942149 201159621 /nfs/dbraw/zinc/15/96/21/201159621.db2.gz BCRHSAGTAXLEJV-QWRGUYRKSA-N 2 2 243.351 -0.192 20 0 BBADLP CCOCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430942151 201159446 /nfs/dbraw/zinc/15/94/46/201159446.db2.gz BCRHSAGTAXLEJV-WDEREUQCSA-N 2 2 243.351 -0.192 20 0 BBADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430942151 201159442 /nfs/dbraw/zinc/15/94/42/201159442.db2.gz BCRHSAGTAXLEJV-WDEREUQCSA-N 2 2 243.351 -0.192 20 0 BBADLP CCS(=O)(=O)NCC[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000430949821 201158440 /nfs/dbraw/zinc/15/84/40/201158440.db2.gz OVLPKFGXALYLHT-JTQLQIEISA-N 2 2 249.380 -0.533 20 0 BBADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000430949821 201158437 /nfs/dbraw/zinc/15/84/37/201158437.db2.gz OVLPKFGXALYLHT-JTQLQIEISA-N 2 2 249.380 -0.533 20 0 BBADLP CCS(=O)(=O)NCC[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000430949822 201159407 /nfs/dbraw/zinc/15/94/07/201159407.db2.gz OVLPKFGXALYLHT-SNVBAGLBSA-N 2 2 249.380 -0.533 20 0 BBADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000430949822 201159404 /nfs/dbraw/zinc/15/94/04/201159404.db2.gz OVLPKFGXALYLHT-SNVBAGLBSA-N 2 2 249.380 -0.533 20 0 BBADLP CNS(=O)(=O)CCC[NH+]1CCC([NH2+]C)CC1 ZINC000430961182 387666693 /nfs/dbraw/zinc/66/66/93/387666693.db2.gz BWUHLPUDHGAYMI-UHFFFAOYSA-N 2 2 249.380 -0.391 20 0 BBADLP Cc1[nH+]c[nH]c1CNC(=O)COC1C[NH2+]C1 ZINC000430999662 387667688 /nfs/dbraw/zinc/66/76/88/387667688.db2.gz ACYGFDAHKVHKBJ-UHFFFAOYSA-N 2 2 224.264 -0.677 20 0 BBADLP [NH3+]CCC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000431005062 387670991 /nfs/dbraw/zinc/67/09/91/387670991.db2.gz LGLQCLKRYQNQIJ-UHFFFAOYSA-N 2 2 237.307 -0.597 20 0 BBADLP [NH3+]CC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000431005516 387670869 /nfs/dbraw/zinc/67/08/69/387670869.db2.gz NCOZOSXPMXOLET-UHFFFAOYSA-N 2 2 223.280 -0.987 20 0 BBADLP C[NH2+]CC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000431008467 387670013 /nfs/dbraw/zinc/67/00/13/387670013.db2.gz YZDOFPLJRBWXMV-UHFFFAOYSA-N 2 2 237.307 -0.727 20 0 BBADLP Cn1cc(C[NH+]2CCN(C(=O)C[NH3+])CC2)cn1 ZINC000431010861 387671274 /nfs/dbraw/zinc/67/12/74/387671274.db2.gz SCXODADHXGOSRN-UHFFFAOYSA-N 2 2 237.307 -0.977 20 0 BBADLP C[C@@H]1CN(C(=O)C[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000431016887 387670967 /nfs/dbraw/zinc/67/09/67/387670967.db2.gz YRBBMJHVQCEKTO-NXEZZACHSA-N 2 2 227.308 -0.876 20 0 BBADLP C[C@H]1CN(C(=O)C[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000431016888 387670733 /nfs/dbraw/zinc/67/07/33/387670733.db2.gz YRBBMJHVQCEKTO-UWVGGRQHSA-N 2 2 227.308 -0.876 20 0 BBADLP C[C@H]1CN(C(=O)C[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000431016889 387669939 /nfs/dbraw/zinc/66/99/39/387669939.db2.gz YRBBMJHVQCEKTO-VHSXEESVSA-N 2 2 227.308 -0.876 20 0 BBADLP C[C@@H]1CN(C(=O)C[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000431016890 387671466 /nfs/dbraw/zinc/67/14/66/387671466.db2.gz YRBBMJHVQCEKTO-ZJUUUORDSA-N 2 2 227.308 -0.876 20 0 BBADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](CCO)CC1 ZINC000433832285 201196767 /nfs/dbraw/zinc/19/67/67/201196767.db2.gz IFDFUFOXSSIGSJ-UHFFFAOYSA-N 2 2 243.351 -0.535 20 0 BBADLP CCC[N@H+](C)CC(=O)N1CC[NH+](CCO)CC1 ZINC000433832285 201196764 /nfs/dbraw/zinc/19/67/64/201196764.db2.gz IFDFUFOXSSIGSJ-UHFFFAOYSA-N 2 2 243.351 -0.535 20 0 BBADLP C[NH+](C)CC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434373623 201217874 /nfs/dbraw/zinc/21/78/74/201217874.db2.gz LWMZANHZIFWTSB-UHFFFAOYSA-N 2 2 241.335 -0.471 20 0 BBADLP C[C@@H]([NH3+])CCC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000434674764 201232205 /nfs/dbraw/zinc/23/22/05/201232205.db2.gz JPHPJBADRYRXCP-GHMZBOCLSA-N 2 2 243.351 -0.049 20 0 BBADLP C[C@@H]([NH3+])CCC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000434674764 201232203 /nfs/dbraw/zinc/23/22/03/201232203.db2.gz JPHPJBADRYRXCP-GHMZBOCLSA-N 2 2 243.351 -0.049 20 0 BBADLP C[C@@H]([NH3+])CCC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000434674765 201232371 /nfs/dbraw/zinc/23/23/71/201232371.db2.gz JPHPJBADRYRXCP-MNOVXSKESA-N 2 2 243.351 -0.049 20 0 BBADLP C[C@@H]([NH3+])CCC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000434674765 201232369 /nfs/dbraw/zinc/23/23/69/201232369.db2.gz JPHPJBADRYRXCP-MNOVXSKESA-N 2 2 243.351 -0.049 20 0 BBADLP C[C@H]([NH3+])CCC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000434674766 201231010 /nfs/dbraw/zinc/23/10/10/201231010.db2.gz JPHPJBADRYRXCP-QWRGUYRKSA-N 2 2 243.351 -0.049 20 0 BBADLP C[C@H]([NH3+])CCC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000434674766 201231007 /nfs/dbraw/zinc/23/10/07/201231007.db2.gz JPHPJBADRYRXCP-QWRGUYRKSA-N 2 2 243.351 -0.049 20 0 BBADLP C[C@H]([NH3+])CCC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000434674767 201232173 /nfs/dbraw/zinc/23/21/73/201232173.db2.gz JPHPJBADRYRXCP-WDEREUQCSA-N 2 2 243.351 -0.049 20 0 BBADLP C[C@H]([NH3+])CCC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000434674767 201232169 /nfs/dbraw/zinc/23/21/69/201232169.db2.gz JPHPJBADRYRXCP-WDEREUQCSA-N 2 2 243.351 -0.049 20 0 BBADLP NC(=O)NC(=O)CC[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435232452 201257164 /nfs/dbraw/zinc/25/71/64/201257164.db2.gz LVYZQXBGRRDDAY-SECBINFHSA-N 2 2 240.307 -0.602 20 0 BBADLP NC(=O)NC(=O)CC[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435232452 201257161 /nfs/dbraw/zinc/25/71/61/201257161.db2.gz LVYZQXBGRRDDAY-SECBINFHSA-N 2 2 240.307 -0.602 20 0 BBADLP NC(=O)NC(=O)CC[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000435232453 201257622 /nfs/dbraw/zinc/25/76/22/201257622.db2.gz LVYZQXBGRRDDAY-VIFPVBQESA-N 2 2 240.307 -0.602 20 0 BBADLP NC(=O)NC(=O)CC[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000435232453 201257619 /nfs/dbraw/zinc/25/76/19/201257619.db2.gz LVYZQXBGRRDDAY-VIFPVBQESA-N 2 2 240.307 -0.602 20 0 BBADLP C[N@@H+](CCNS(C)(=O)=O)[C@H]1CCC[NH2+]CC1 ZINC000435609979 201278914 /nfs/dbraw/zinc/27/89/14/201278914.db2.gz DSUOVHNDIRNKIH-JTQLQIEISA-N 2 2 249.380 -0.391 20 0 BBADLP C[N@H+](CCNS(C)(=O)=O)[C@H]1CCC[NH2+]CC1 ZINC000435609979 201278912 /nfs/dbraw/zinc/27/89/12/201278912.db2.gz DSUOVHNDIRNKIH-JTQLQIEISA-N 2 2 249.380 -0.391 20 0 BBADLP C[N@@H+](CCNS(C)(=O)=O)[C@@H]1CCC[NH2+]CC1 ZINC000435609980 201279636 /nfs/dbraw/zinc/27/96/36/201279636.db2.gz DSUOVHNDIRNKIH-SNVBAGLBSA-N 2 2 249.380 -0.391 20 0 BBADLP C[N@H+](CCNS(C)(=O)=O)[C@@H]1CCC[NH2+]CC1 ZINC000435609980 201279633 /nfs/dbraw/zinc/27/96/33/201279633.db2.gz DSUOVHNDIRNKIH-SNVBAGLBSA-N 2 2 249.380 -0.391 20 0 BBADLP C[NH2+]CCC[N@@H+](CCOC)CC(=O)N(C)C ZINC000435873788 201293682 /nfs/dbraw/zinc/29/36/82/201293682.db2.gz XNBICLQUKZMVKO-UHFFFAOYSA-N 2 2 231.340 -0.368 20 0 BBADLP C[NH2+]CCC[N@H+](CCOC)CC(=O)N(C)C ZINC000435873788 201293680 /nfs/dbraw/zinc/29/36/80/201293680.db2.gz XNBICLQUKZMVKO-UHFFFAOYSA-N 2 2 231.340 -0.368 20 0 BBADLP C[NH2+]CCC[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000435873807 201293609 /nfs/dbraw/zinc/29/36/09/201293609.db2.gz XUVCEMPMONSFSS-UHFFFAOYSA-N 2 2 249.380 -0.437 20 0 BBADLP C[NH2+]CCC[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000435873807 201293605 /nfs/dbraw/zinc/29/36/05/201293605.db2.gz XUVCEMPMONSFSS-UHFFFAOYSA-N 2 2 249.380 -0.437 20 0 BBADLP C[NH2+]CCC[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000435880017 201291783 /nfs/dbraw/zinc/29/17/83/201291783.db2.gz GUGCIXQREAMXNT-UHFFFAOYSA-N 2 2 236.319 -0.252 20 0 BBADLP C[NH2+]CCC[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000435880017 201291779 /nfs/dbraw/zinc/29/17/79/201291779.db2.gz GUGCIXQREAMXNT-UHFFFAOYSA-N 2 2 236.319 -0.252 20 0 BBADLP C[NH2+]CCCN(CCO)CC[NH+]1CCOCC1 ZINC000435881225 488185842 /nfs/dbraw/zinc/18/58/42/488185842.db2.gz OHRQSPRPTJFLSY-UHFFFAOYSA-N 2 2 245.367 -0.778 20 0 BBADLP CCNC(=O)C[NH+]1CCN(CCC[NH2+]C)CC1 ZINC000435881281 201293963 /nfs/dbraw/zinc/29/39/63/201293963.db2.gz UFXGVBHMWOLYJI-UHFFFAOYSA-N 2 2 242.367 -0.650 20 0 BBADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CCC[NH2+]C ZINC000435884736 201295638 /nfs/dbraw/zinc/29/56/38/201295638.db2.gz WLCXOLIIWZVPPV-JTQLQIEISA-N 2 2 249.380 -0.391 20 0 BBADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCC[NH2+]C ZINC000435884736 201295634 /nfs/dbraw/zinc/29/56/34/201295634.db2.gz WLCXOLIIWZVPPV-JTQLQIEISA-N 2 2 249.380 -0.391 20 0 BBADLP CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCC[NH2+]C ZINC000435884737 201295594 /nfs/dbraw/zinc/29/55/94/201295594.db2.gz WLCXOLIIWZVPPV-SNVBAGLBSA-N 2 2 249.380 -0.391 20 0 BBADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCC[NH2+]C ZINC000435884737 201295592 /nfs/dbraw/zinc/29/55/92/201295592.db2.gz WLCXOLIIWZVPPV-SNVBAGLBSA-N 2 2 249.380 -0.391 20 0 BBADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC[NH3+] ZINC000436054171 201307775 /nfs/dbraw/zinc/30/77/75/201307775.db2.gz HCTMQXYEJJHLMA-JTQLQIEISA-N 3 2 228.340 -0.735 20 0 BBADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC[NH3+] ZINC000436054171 201307772 /nfs/dbraw/zinc/30/77/72/201307772.db2.gz HCTMQXYEJJHLMA-JTQLQIEISA-N 3 2 228.340 -0.735 20 0 BBADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC[NH3+] ZINC000436054173 201309491 /nfs/dbraw/zinc/30/94/91/201309491.db2.gz HCTMQXYEJJHLMA-SNVBAGLBSA-N 3 2 228.340 -0.735 20 0 BBADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC[NH3+] ZINC000436054173 201309490 /nfs/dbraw/zinc/30/94/90/201309490.db2.gz HCTMQXYEJJHLMA-SNVBAGLBSA-N 3 2 228.340 -0.735 20 0 BBADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(N)=O ZINC000441264434 387740979 /nfs/dbraw/zinc/74/09/79/387740979.db2.gz RVVKITXYEAURDG-GMTAPVOTSA-N 2 2 241.335 -0.345 20 0 BBADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(N)=O ZINC000441264434 387740971 /nfs/dbraw/zinc/74/09/71/387740971.db2.gz RVVKITXYEAURDG-GMTAPVOTSA-N 2 2 241.335 -0.345 20 0 BBADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(N)=O ZINC000441264441 387742412 /nfs/dbraw/zinc/74/24/12/387742412.db2.gz RVVKITXYEAURDG-MXWKQRLJSA-N 2 2 241.335 -0.345 20 0 BBADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(N)=O ZINC000441264441 387742406 /nfs/dbraw/zinc/74/24/06/387742406.db2.gz RVVKITXYEAURDG-MXWKQRLJSA-N 2 2 241.335 -0.345 20 0 BBADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(N)=O ZINC000441264444 387742356 /nfs/dbraw/zinc/74/23/56/387742356.db2.gz RVVKITXYEAURDG-OUAUKWLOSA-N 2 2 241.335 -0.345 20 0 BBADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(N)=O ZINC000441264444 387742340 /nfs/dbraw/zinc/74/23/40/387742340.db2.gz RVVKITXYEAURDG-OUAUKWLOSA-N 2 2 241.335 -0.345 20 0 BBADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC(N)=O ZINC000441264447 387741962 /nfs/dbraw/zinc/74/19/62/387741962.db2.gz RVVKITXYEAURDG-VWYCJHECSA-N 2 2 241.335 -0.345 20 0 BBADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC(N)=O ZINC000441264447 387741955 /nfs/dbraw/zinc/74/19/55/387741955.db2.gz RVVKITXYEAURDG-VWYCJHECSA-N 2 2 241.335 -0.345 20 0 BBADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000442653471 387812728 /nfs/dbraw/zinc/81/27/28/387812728.db2.gz WEXUYQJVXJUJBH-NXEZZACHSA-N 2 2 249.380 -0.405 20 0 BBADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000442653471 387812726 /nfs/dbraw/zinc/81/27/26/387812726.db2.gz WEXUYQJVXJUJBH-NXEZZACHSA-N 2 2 249.380 -0.405 20 0 BBADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000442653474 387812811 /nfs/dbraw/zinc/81/28/11/387812811.db2.gz WEXUYQJVXJUJBH-UWVGGRQHSA-N 2 2 249.380 -0.405 20 0 BBADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000442653474 387812807 /nfs/dbraw/zinc/81/28/07/387812807.db2.gz WEXUYQJVXJUJBH-UWVGGRQHSA-N 2 2 249.380 -0.405 20 0 BBADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000442653475 387812555 /nfs/dbraw/zinc/81/25/55/387812555.db2.gz WEXUYQJVXJUJBH-VHSXEESVSA-N 2 2 249.380 -0.405 20 0 BBADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000442653475 387812550 /nfs/dbraw/zinc/81/25/50/387812550.db2.gz WEXUYQJVXJUJBH-VHSXEESVSA-N 2 2 249.380 -0.405 20 0 BBADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000442653476 387812356 /nfs/dbraw/zinc/81/23/56/387812356.db2.gz WEXUYQJVXJUJBH-ZJUUUORDSA-N 2 2 249.380 -0.405 20 0 BBADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000442653476 387812352 /nfs/dbraw/zinc/81/23/52/387812352.db2.gz WEXUYQJVXJUJBH-ZJUUUORDSA-N 2 2 249.380 -0.405 20 0 BBADLP CC(C)NC(=O)C[NH+]1CCN(C[C@@H](C)[NH3+])CC1 ZINC000442654456 387810473 /nfs/dbraw/zinc/81/04/73/387810473.db2.gz BMCVAOMCJZKBIU-LLVKDONJSA-N 2 2 242.367 -0.524 20 0 BBADLP CC(C)NC(=O)C[NH+]1CCN(C[C@H](C)[NH3+])CC1 ZINC000442654465 387809714 /nfs/dbraw/zinc/80/97/14/387809714.db2.gz BMCVAOMCJZKBIU-NSHDSACASA-N 2 2 242.367 -0.524 20 0 BBADLP C[C@H]([NH3+])C[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000442663883 386412931 /nfs/dbraw/zinc/41/29/31/386412931.db2.gz IRHKRSYFGSGUAL-GRYCIOLGSA-N 2 2 227.352 -0.014 20 0 BBADLP C[C@H]([NH3+])C[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000442663883 386412925 /nfs/dbraw/zinc/41/29/25/386412925.db2.gz IRHKRSYFGSGUAL-GRYCIOLGSA-N 2 2 227.352 -0.014 20 0 BBADLP C[C@H]([NH3+])C[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000442663886 386413769 /nfs/dbraw/zinc/41/37/69/386413769.db2.gz IRHKRSYFGSGUAL-SDDRHHMPSA-N 2 2 227.352 -0.014 20 0 BBADLP C[C@H]([NH3+])C[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000442663886 386413762 /nfs/dbraw/zinc/41/37/62/386413762.db2.gz IRHKRSYFGSGUAL-SDDRHHMPSA-N 2 2 227.352 -0.014 20 0 BBADLP C[C@H]([NH3+])C[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000442663888 386412645 /nfs/dbraw/zinc/41/26/45/386412645.db2.gz IRHKRSYFGSGUAL-SRVKXCTJSA-N 2 2 227.352 -0.014 20 0 BBADLP C[C@H]([NH3+])C[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000442663888 386412642 /nfs/dbraw/zinc/41/26/42/386412642.db2.gz IRHKRSYFGSGUAL-SRVKXCTJSA-N 2 2 227.352 -0.014 20 0 BBADLP C[C@H]([NH3+])C[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000442663890 386412544 /nfs/dbraw/zinc/41/25/44/386412544.db2.gz IRHKRSYFGSGUAL-WOPDTQHZSA-N 2 2 227.352 -0.014 20 0 BBADLP C[C@H]([NH3+])C[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000442663890 386412539 /nfs/dbraw/zinc/41/25/39/386412539.db2.gz IRHKRSYFGSGUAL-WOPDTQHZSA-N 2 2 227.352 -0.014 20 0 BBADLP C[C@H]([NH3+])CN1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000442665434 387816008 /nfs/dbraw/zinc/81/60/08/387816008.db2.gz ZUUQVCXLGFOBMN-JTQLQIEISA-N 2 2 223.324 -0.126 20 0 BBADLP C[C@@H]([NH3+])CN1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000442665435 387816202 /nfs/dbraw/zinc/81/62/02/387816202.db2.gz ZUUQVCXLGFOBMN-SNVBAGLBSA-N 2 2 223.324 -0.126 20 0 BBADLP C[C@@H]([NH3+])CN1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000442665449 387817274 /nfs/dbraw/zinc/81/72/74/387817274.db2.gz ZXQIIHKHFWLSNW-LLVKDONJSA-N 2 2 237.351 -0.115 20 0 BBADLP C[C@H]([NH3+])CN1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000442665450 387816440 /nfs/dbraw/zinc/81/64/40/387816440.db2.gz ZXQIIHKHFWLSNW-NSHDSACASA-N 2 2 237.351 -0.115 20 0 BBADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2CC[NH2+]2)CCO1 ZINC000444166378 193039826 /nfs/dbraw/zinc/03/98/26/193039826.db2.gz BLYPOQDJDKCMNN-SNVBAGLBSA-N 2 2 241.335 -0.425 20 0 BBADLP CC1(C)C[N@H+](CCNC(=O)[C@H]2CC[NH2+]2)CCO1 ZINC000444166378 193039824 /nfs/dbraw/zinc/03/98/24/193039824.db2.gz BLYPOQDJDKCMNN-SNVBAGLBSA-N 2 2 241.335 -0.425 20 0 BBADLP COCC[NH+]1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444168630 193039164 /nfs/dbraw/zinc/03/91/64/193039164.db2.gz IEHKJERSGHQXPR-SNVBAGLBSA-N 2 2 227.308 -0.861 20 0 BBADLP COCC[N@H+]1CCN(C(=O)[C@H]2CC[NH2+]2)C[C@H]1C ZINC000444172659 193040487 /nfs/dbraw/zinc/04/04/87/193040487.db2.gz ZPCIKYUPVLSGIG-GHMZBOCLSA-N 2 2 241.335 -0.473 20 0 BBADLP COCC[N@@H+]1CCN(C(=O)[C@H]2CC[NH2+]2)C[C@H]1C ZINC000444172659 193040484 /nfs/dbraw/zinc/04/04/84/193040484.db2.gz ZPCIKYUPVLSGIG-GHMZBOCLSA-N 2 2 241.335 -0.473 20 0 BBADLP COCC[N@H+]1CCN(C(=O)[C@H]2CC[NH2+]2)C[C@@H]1C ZINC000444172660 193039938 /nfs/dbraw/zinc/03/99/38/193039938.db2.gz ZPCIKYUPVLSGIG-WDEREUQCSA-N 2 2 241.335 -0.473 20 0 BBADLP COCC[N@@H+]1CCN(C(=O)[C@H]2CC[NH2+]2)C[C@@H]1C ZINC000444172660 193039935 /nfs/dbraw/zinc/03/99/35/193039935.db2.gz ZPCIKYUPVLSGIG-WDEREUQCSA-N 2 2 241.335 -0.473 20 0 BBADLP C[C@H](NC(=O)[C@H]1CC[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000444173116 384681633 /nfs/dbraw/zinc/68/16/33/384681633.db2.gz SWZKVDRAOAZCFY-GARJFASQSA-N 2 2 241.335 -0.426 20 0 BBADLP C[C@@H](NC(=O)[C@H]1CC[NH2+]1)[C@@H](C)[NH+]1CCOCC1 ZINC000444173117 384681163 /nfs/dbraw/zinc/68/11/63/384681163.db2.gz SWZKVDRAOAZCFY-GMTAPVOTSA-N 2 2 241.335 -0.426 20 0 BBADLP C[C@H]([C@H](C)NC(=O)[C@H]1CC[NH2+]1)[NH+]1CCOCC1 ZINC000444173118 384681364 /nfs/dbraw/zinc/68/13/64/384681364.db2.gz SWZKVDRAOAZCFY-HBNTYKKESA-N 2 2 241.335 -0.426 20 0 BBADLP C[C@@H](NC(=O)[C@H]1CC[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000444173119 384680639 /nfs/dbraw/zinc/68/06/39/384680639.db2.gz SWZKVDRAOAZCFY-OUAUKWLOSA-N 2 2 241.335 -0.426 20 0 BBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000444178263 193040677 /nfs/dbraw/zinc/04/06/77/193040677.db2.gz WMWFVMLWNCWJST-NXEZZACHSA-N 2 2 227.308 -0.815 20 0 BBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000444178263 193040674 /nfs/dbraw/zinc/04/06/74/193040674.db2.gz WMWFVMLWNCWJST-NXEZZACHSA-N 2 2 227.308 -0.815 20 0 BBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000444178264 193039890 /nfs/dbraw/zinc/03/98/90/193039890.db2.gz WMWFVMLWNCWJST-VHSXEESVSA-N 2 2 227.308 -0.815 20 0 BBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000444178264 193039887 /nfs/dbraw/zinc/03/98/87/193039887.db2.gz WMWFVMLWNCWJST-VHSXEESVSA-N 2 2 227.308 -0.815 20 0 BBADLP C[C@H](CNC(=O)[C@H]1CC[NH2+]1)[NH+]1CCOCC1 ZINC000444178320 193040617 /nfs/dbraw/zinc/04/06/17/193040617.db2.gz BZBIBPGFGQBMNY-NXEZZACHSA-N 2 2 227.308 -0.815 20 0 BBADLP C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)[NH+]1CCOCC1 ZINC000444178321 193039304 /nfs/dbraw/zinc/03/93/04/193039304.db2.gz BZBIBPGFGQBMNY-VHSXEESVSA-N 2 2 227.308 -0.815 20 0 BBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000444179601 384683813 /nfs/dbraw/zinc/68/38/13/384683813.db2.gz ZQKZDILIJXOKRV-SNVBAGLBSA-N 2 2 241.335 -0.425 20 0 BBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000444179601 384683806 /nfs/dbraw/zinc/68/38/06/384683806.db2.gz ZQKZDILIJXOKRV-SNVBAGLBSA-N 2 2 241.335 -0.425 20 0 BBADLP O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444184671 384683594 /nfs/dbraw/zinc/68/35/94/384683594.db2.gz PLJICZYDWLBQCF-CMPLNLGQSA-N 2 2 234.303 -0.001 20 0 BBADLP O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444184688 384684339 /nfs/dbraw/zinc/68/43/39/384684339.db2.gz PLJICZYDWLBQCF-JQWIXIFHSA-N 2 2 234.303 -0.001 20 0 BBADLP O=C(NCCn1cc[nH+]c1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444184704 384684767 /nfs/dbraw/zinc/68/47/67/384684767.db2.gz PLJICZYDWLBQCF-PWSUYJOCSA-N 2 2 234.303 -0.001 20 0 BBADLP O=C(NCCn1cc[nH+]c1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444184716 384684470 /nfs/dbraw/zinc/68/44/70/384684470.db2.gz PLJICZYDWLBQCF-ZYHUDNBSSA-N 2 2 234.303 -0.001 20 0 BBADLP CCOCC[NH+]1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444186833 193039141 /nfs/dbraw/zinc/03/91/41/193039141.db2.gz RUVAFGPCQJEYPK-LLVKDONJSA-N 2 2 241.335 -0.471 20 0 BBADLP C[C@H](CNC(=O)[C@H]1CC[NH2+]1)Cn1cc[nH+]c1 ZINC000444192270 193041405 /nfs/dbraw/zinc/04/14/05/193041405.db2.gz YOZDGCRGPVVAPN-NXEZZACHSA-N 2 2 222.292 -0.003 20 0 BBADLP C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)Cn1cc[nH+]c1 ZINC000444192272 193041891 /nfs/dbraw/zinc/04/18/91/193041891.db2.gz YOZDGCRGPVVAPN-VHSXEESVSA-N 2 2 222.292 -0.003 20 0 BBADLP O=C([C@H]1CC[NH2+]1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000444268272 193044020 /nfs/dbraw/zinc/04/40/20/193044020.db2.gz MCSUJIFZEQWOEP-SNVBAGLBSA-N 2 2 249.318 -0.584 20 0 BBADLP O[C@H]1C[NH+](CCC[NH+]2CCCCC2)C[C@@H]1O ZINC000444702294 387913524 /nfs/dbraw/zinc/91/35/24/387913524.db2.gz RCUKEXJJQZNBDY-RYUDHWBXSA-N 2 2 228.336 -0.100 20 0 BBADLP O[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)C[C@@H]1O ZINC000444702295 387913463 /nfs/dbraw/zinc/91/34/63/387913463.db2.gz RCUKEXJJQZNBDY-TXEJJXNPSA-N 2 2 228.336 -0.100 20 0 BBADLP O[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)C[C@@H]1O ZINC000444702295 387913460 /nfs/dbraw/zinc/91/34/60/387913460.db2.gz RCUKEXJJQZNBDY-TXEJJXNPSA-N 2 2 228.336 -0.100 20 0 BBADLP O[C@@H]1C[NH+](CCC[NH+]2CCCCC2)C[C@H]1O ZINC000444702297 387912756 /nfs/dbraw/zinc/91/27/56/387912756.db2.gz RCUKEXJJQZNBDY-VXGBXAGGSA-N 2 2 228.336 -0.100 20 0 BBADLP O=C(NCCn1cc[nH+]c1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446264790 206091586 /nfs/dbraw/zinc/09/15/86/206091586.db2.gz MCLYBBJDLCNPJX-DTWKUNHWSA-N 2 2 226.255 -0.301 20 0 BBADLP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCn2cc[nH+]c2C1 ZINC000446363969 388016240 /nfs/dbraw/zinc/01/62/40/388016240.db2.gz PJNFHBIOXIHXNT-DTWKUNHWSA-N 2 2 238.266 -0.075 20 0 BBADLP CC[C@@H]1C[N@@H+](CCNC(N)=[NH2+])CCO1 ZINC000447129958 388054636 /nfs/dbraw/zinc/05/46/36/388054636.db2.gz WRHISZSAIBZSSL-MRVPVSSYSA-N 2 2 200.286 -0.420 20 0 BBADLP CC[C@@H]1C[N@H+](CCNC(N)=[NH2+])CCO1 ZINC000447129958 388054633 /nfs/dbraw/zinc/05/46/33/388054633.db2.gz WRHISZSAIBZSSL-MRVPVSSYSA-N 2 2 200.286 -0.420 20 0 BBADLP CC[C@H]1C[N@@H+](CCNC(N)=[NH2+])CCO1 ZINC000447129963 388055532 /nfs/dbraw/zinc/05/55/32/388055532.db2.gz WRHISZSAIBZSSL-QMMMGPOBSA-N 2 2 200.286 -0.420 20 0 BBADLP CC[C@H]1C[N@H+](CCNC(N)=[NH2+])CCO1 ZINC000447129963 388055530 /nfs/dbraw/zinc/05/55/30/388055530.db2.gz WRHISZSAIBZSSL-QMMMGPOBSA-N 2 2 200.286 -0.420 20 0 BBADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[NH+](C)C ZINC000447658410 388086336 /nfs/dbraw/zinc/08/63/36/388086336.db2.gz FVFFUWJLBOGUQZ-LLVKDONJSA-N 2 2 243.351 -0.273 20 0 BBADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C[NH+](C)C ZINC000447658411 388086027 /nfs/dbraw/zinc/08/60/27/388086027.db2.gz FVFFUWJLBOGUQZ-NSHDSACASA-N 2 2 243.351 -0.273 20 0 BBADLP CCC[NH2+][C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000449069136 201801204 /nfs/dbraw/zinc/80/12/04/201801204.db2.gz WHPKNIQVQXZBBT-LLVKDONJSA-N 2 2 243.351 -0.177 20 0 BBADLP CCC[NH2+][C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000449069137 388139132 /nfs/dbraw/zinc/13/91/32/388139132.db2.gz WHPKNIQVQXZBBT-NSHDSACASA-N 2 2 243.351 -0.177 20 0 BBADLP CCC[NH2+][C@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000449181794 388154045 /nfs/dbraw/zinc/15/40/45/388154045.db2.gz BDTOMZHKNYDMCP-LLVKDONJSA-N 2 2 243.351 -0.489 20 0 BBADLP CCC[NH2+][C@@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000449181795 388153760 /nfs/dbraw/zinc/15/37/60/388153760.db2.gz BDTOMZHKNYDMCP-NSHDSACASA-N 2 2 243.351 -0.489 20 0 BBADLP COCC[NH+]1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000449315206 388171296 /nfs/dbraw/zinc/17/12/96/388171296.db2.gz HKEVIBNZMVMZST-UHFFFAOYSA-N 2 2 241.335 -0.342 20 0 BBADLP C[C@H](C(=O)N(C)C1CC([NH3+])C1)[NH+]1CCOCC1 ZINC000449636406 388247351 /nfs/dbraw/zinc/24/73/51/388247351.db2.gz WAZHYFPGEMBWFQ-KPPDAEKUSA-N 2 2 241.335 -0.345 20 0 BBADLP C[C@@H](C(=O)N(C)C1CC([NH3+])C1)[NH+]1CCOCC1 ZINC000449636407 388246835 /nfs/dbraw/zinc/24/68/35/388246835.db2.gz WAZHYFPGEMBWFQ-WHXUTIOJSA-N 2 2 241.335 -0.345 20 0 BBADLP C[C@@H]1CN(C(=O)C[NH+](C)C)C[C@H](C)[N@@H+]1CCO ZINC000456213483 388185901 /nfs/dbraw/zinc/18/59/01/388185901.db2.gz QGTUSZDMHQRORS-PHIMTYICSA-N 2 2 243.351 -0.539 20 0 BBADLP C[C@@H]1CN(C(=O)C[NH+](C)C)C[C@H](C)[N@H+]1CCO ZINC000456213483 388185897 /nfs/dbraw/zinc/18/58/97/388185897.db2.gz QGTUSZDMHQRORS-PHIMTYICSA-N 2 2 243.351 -0.539 20 0 BBADLP C[NH+](C)CC(C)(C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000457205420 203019316 /nfs/dbraw/zinc/01/93/16/203019316.db2.gz KZHYHZFAXHRWDZ-JTQLQIEISA-N 2 2 243.351 -0.227 20 0 BBADLP C[NH+](C)CC(C)(C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000457205420 203019313 /nfs/dbraw/zinc/01/93/13/203019313.db2.gz KZHYHZFAXHRWDZ-JTQLQIEISA-N 2 2 243.351 -0.227 20 0 BBADLP C[NH+](C)CC(C)(C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000457205759 203019253 /nfs/dbraw/zinc/01/92/53/203019253.db2.gz KZHYHZFAXHRWDZ-SNVBAGLBSA-N 2 2 243.351 -0.227 20 0 BBADLP C[NH+](C)CC(C)(C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000457205759 203019252 /nfs/dbraw/zinc/01/92/52/203019252.db2.gz KZHYHZFAXHRWDZ-SNVBAGLBSA-N 2 2 243.351 -0.227 20 0 BBADLP C[NH+](C)C/C=C\C(=O)NCC[NH+]1CCOCC1 ZINC000491643847 388307597 /nfs/dbraw/zinc/30/75/97/388307597.db2.gz PCLXAIBFESVTKQ-ARJAWSKDSA-N 2 2 241.335 -0.447 20 0 BBADLP C[NH+](C)C/C=C\C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000491896239 388326709 /nfs/dbraw/zinc/32/67/09/388326709.db2.gz YVTAMXHUKWFYDN-DOGVGXBMSA-N 2 2 241.335 -0.449 20 0 BBADLP C[NH+](C)C/C=C\C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000491896244 388326725 /nfs/dbraw/zinc/32/67/25/388326725.db2.gz YVTAMXHUKWFYDN-WYGGZMRJSA-N 2 2 241.335 -0.449 20 0 BBADLP CCn1cc[nH+]c1/C=C\C(=O)NCC[NH3+] ZINC000493689970 529559882 /nfs/dbraw/zinc/55/98/82/529559882.db2.gz OUGKPIVGAFGDSS-ARJAWSKDSA-N 2 2 208.265 -0.009 20 0 BBADLP CCn1cc[nH+]c1/C=C/C(=O)NCC[NH3+] ZINC000493689971 529553523 /nfs/dbraw/zinc/55/35/23/529553523.db2.gz OUGKPIVGAFGDSS-ONEGZZNKSA-N 2 2 208.265 -0.009 20 0 BBADLP C[C@@H](C(=O)NCC[N@H+]1CCOC[C@@H]1C)[C@H](C)[NH3+] ZINC000493937522 533260328 /nfs/dbraw/zinc/26/03/28/533260328.db2.gz QYFCCAQICNGEGW-AXFHLTTASA-N 2 2 243.351 -0.193 20 0 BBADLP C[C@@H](C(=O)NCC[N@@H+]1CCOC[C@@H]1C)[C@H](C)[NH3+] ZINC000493937522 533260324 /nfs/dbraw/zinc/26/03/24/533260324.db2.gz QYFCCAQICNGEGW-AXFHLTTASA-N 2 2 243.351 -0.193 20 0 BBADLP C[C@H]([NH3+])[C@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000493937523 226259198 /nfs/dbraw/zinc/25/91/98/226259198.db2.gz QYFCCAQICNGEGW-DCAQKATOSA-N 2 2 243.351 -0.193 20 0 BBADLP C[C@H]([NH3+])[C@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000493937523 226259197 /nfs/dbraw/zinc/25/91/97/226259197.db2.gz QYFCCAQICNGEGW-DCAQKATOSA-N 2 2 243.351 -0.193 20 0 BBADLP C[C@@H](C(=O)NCC[N@H+]1CCOC[C@H]1C)[C@H](C)[NH3+] ZINC000493937524 533259974 /nfs/dbraw/zinc/25/99/74/533259974.db2.gz QYFCCAQICNGEGW-MXWKQRLJSA-N 2 2 243.351 -0.193 20 0 BBADLP C[C@@H](C(=O)NCC[N@@H+]1CCOC[C@H]1C)[C@H](C)[NH3+] ZINC000493937524 533259965 /nfs/dbraw/zinc/25/99/65/533259965.db2.gz QYFCCAQICNGEGW-MXWKQRLJSA-N 2 2 243.351 -0.193 20 0 BBADLP C[C@H]([NH3+])[C@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000493937525 226259245 /nfs/dbraw/zinc/25/92/45/226259245.db2.gz QYFCCAQICNGEGW-VWYCJHECSA-N 2 2 243.351 -0.193 20 0 BBADLP C[C@H]([NH3+])[C@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000493937525 226259244 /nfs/dbraw/zinc/25/92/44/226259244.db2.gz QYFCCAQICNGEGW-VWYCJHECSA-N 2 2 243.351 -0.193 20 0 BBADLP COC(=O)N1CC([NH2+][C@H]2CCC[C@H]2[NH3+])C1 ZINC000497109727 533935038 /nfs/dbraw/zinc/93/50/38/533935038.db2.gz SNVZQMYPEHFCRJ-BDAKNGLRSA-N 2 2 213.281 -0.094 20 0 BBADLP COC(=O)N1CC([NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000497109749 533931939 /nfs/dbraw/zinc/93/19/39/533931939.db2.gz SNVZQMYPEHFCRJ-DTWKUNHWSA-N 2 2 213.281 -0.094 20 0 BBADLP COC(=O)N1CC([NH2+][C@H]2CCC[C@@H]2[NH3+])C1 ZINC000497109750 533935580 /nfs/dbraw/zinc/93/55/80/533935580.db2.gz SNVZQMYPEHFCRJ-IUCAKERBSA-N 2 2 213.281 -0.094 20 0 BBADLP COC(=O)N1CC([NH2+][C@@H]2CCC[C@H]2[NH3+])C1 ZINC000497109751 533933373 /nfs/dbraw/zinc/93/33/73/533933373.db2.gz SNVZQMYPEHFCRJ-RKDXNWHRSA-N 2 2 213.281 -0.094 20 0 BBADLP C[C@@H](O)CNc1cc(NC2C[NH2+]C2)nc[nH+]1 ZINC000514592817 387008496 /nfs/dbraw/zinc/00/84/96/387008496.db2.gz MGIAIPGIPPZKDX-SSDOTTSWSA-N 2 2 223.280 -0.347 20 0 BBADLP C[C@H](O)CNc1cc(NC2C[NH2+]C2)nc[nH+]1 ZINC000514592818 387008093 /nfs/dbraw/zinc/00/80/93/387008093.db2.gz MGIAIPGIPPZKDX-ZETCQYMHSA-N 2 2 223.280 -0.347 20 0 BBADLP C[C@@H]1C[N@@H+](CCNC(=O)CCCC[NH3+])CCO1 ZINC000514604188 387010190 /nfs/dbraw/zinc/01/01/90/387010190.db2.gz CZNVPCNQZAYDHQ-LLVKDONJSA-N 2 2 243.351 -0.048 20 0 BBADLP C[C@@H]1C[N@H+](CCNC(=O)CCCC[NH3+])CCO1 ZINC000514604188 387010188 /nfs/dbraw/zinc/01/01/88/387010188.db2.gz CZNVPCNQZAYDHQ-LLVKDONJSA-N 2 2 243.351 -0.048 20 0 BBADLP C[C@H]1C[N@@H+](CCNC(=O)CCCC[NH3+])CCO1 ZINC000514604189 256681444 /nfs/dbraw/zinc/68/14/44/256681444.db2.gz CZNVPCNQZAYDHQ-NSHDSACASA-N 2 2 243.351 -0.048 20 0 BBADLP C[C@H]1C[N@H+](CCNC(=O)CCCC[NH3+])CCO1 ZINC000514604189 256681443 /nfs/dbraw/zinc/68/14/43/256681443.db2.gz CZNVPCNQZAYDHQ-NSHDSACASA-N 2 2 243.351 -0.048 20 0 BBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC[NH2+]2)CCO1 ZINC000514732444 387282905 /nfs/dbraw/zinc/28/29/05/387282905.db2.gz HYJVCOAVCPKOHD-NXEZZACHSA-N 2 2 227.308 -0.815 20 0 BBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC[NH2+]2)CCO1 ZINC000514732444 387282900 /nfs/dbraw/zinc/28/29/00/387282900.db2.gz HYJVCOAVCPKOHD-NXEZZACHSA-N 2 2 227.308 -0.815 20 0 BBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CC[NH2+]2)CCO1 ZINC000514732445 387283008 /nfs/dbraw/zinc/28/30/08/387283008.db2.gz HYJVCOAVCPKOHD-VHSXEESVSA-N 2 2 227.308 -0.815 20 0 BBADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2CC[NH2+]2)CCO1 ZINC000514732445 387283002 /nfs/dbraw/zinc/28/30/02/387283002.db2.gz HYJVCOAVCPKOHD-VHSXEESVSA-N 2 2 227.308 -0.815 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000514869954 387305240 /nfs/dbraw/zinc/30/52/40/387305240.db2.gz DXHLQVJFPXPQLE-NXEZZACHSA-N 2 2 245.367 -0.211 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000514869954 387305236 /nfs/dbraw/zinc/30/52/36/387305236.db2.gz DXHLQVJFPXPQLE-NXEZZACHSA-N 2 2 245.367 -0.211 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000514869955 387306116 /nfs/dbraw/zinc/30/61/16/387306116.db2.gz DXHLQVJFPXPQLE-VHSXEESVSA-N 2 2 245.367 -0.211 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000514869955 387306113 /nfs/dbraw/zinc/30/61/13/387306113.db2.gz DXHLQVJFPXPQLE-VHSXEESVSA-N 2 2 245.367 -0.211 20 0 BBADLP [NH3+][C@@H]1C[C@@H]2CN(c3cccc[nH+]3)CCN2C1=O ZINC000515339338 387366249 /nfs/dbraw/zinc/36/62/49/387366249.db2.gz HCWAELOCMWCPBM-NXEZZACHSA-N 2 2 232.287 -0.170 20 0 BBADLP [NH3+][C@H]1C[C@H]2CN(c3cccc[nH+]3)CCN2C1=O ZINC000515339339 387366109 /nfs/dbraw/zinc/36/61/09/387366109.db2.gz HCWAELOCMWCPBM-UWVGGRQHSA-N 2 2 232.287 -0.170 20 0 BBADLP [NH3+][C@@H]1C[C@H]2CN(c3cccc[nH+]3)CCN2C1=O ZINC000515339340 387365383 /nfs/dbraw/zinc/36/53/83/387365383.db2.gz HCWAELOCMWCPBM-VHSXEESVSA-N 2 2 232.287 -0.170 20 0 BBADLP [NH3+][C@H]1C[C@@H]2CN(c3cccc[nH+]3)CCN2C1=O ZINC000515339341 387365671 /nfs/dbraw/zinc/36/56/71/387365671.db2.gz HCWAELOCMWCPBM-ZJUUUORDSA-N 2 2 232.287 -0.170 20 0 BBADLP COC(=O)CC[N@H+]1CCN(C(=O)C[NH3+])[C@H](C)C1 ZINC000515352208 387371028 /nfs/dbraw/zinc/37/10/28/387371028.db2.gz JYJWBRLRCRNQJS-SECBINFHSA-N 2 2 243.307 -0.959 20 0 BBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C[NH3+])[C@H](C)C1 ZINC000515352208 387371023 /nfs/dbraw/zinc/37/10/23/387371023.db2.gz JYJWBRLRCRNQJS-SECBINFHSA-N 2 2 243.307 -0.959 20 0 BBADLP COC(=O)CC[N@H+]1CCN(C(=O)C[NH3+])[C@@H](C)C1 ZINC000515352209 387371695 /nfs/dbraw/zinc/37/16/95/387371695.db2.gz JYJWBRLRCRNQJS-VIFPVBQESA-N 2 2 243.307 -0.959 20 0 BBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C[NH3+])[C@@H](C)C1 ZINC000515352209 387371691 /nfs/dbraw/zinc/37/16/91/387371691.db2.gz JYJWBRLRCRNQJS-VIFPVBQESA-N 2 2 243.307 -0.959 20 0 BBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCC[NH2+]2)CCO1 ZINC000515486135 387386300 /nfs/dbraw/zinc/38/63/00/387386300.db2.gz HGAHSDPUZCWELC-GHMZBOCLSA-N 2 2 241.335 -0.425 20 0 BBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCC[NH2+]2)CCO1 ZINC000515486135 387386297 /nfs/dbraw/zinc/38/62/97/387386297.db2.gz HGAHSDPUZCWELC-GHMZBOCLSA-N 2 2 241.335 -0.425 20 0 BBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000515486137 387386444 /nfs/dbraw/zinc/38/64/44/387386444.db2.gz HGAHSDPUZCWELC-MNOVXSKESA-N 2 2 241.335 -0.425 20 0 BBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000515486137 387386440 /nfs/dbraw/zinc/38/64/40/387386440.db2.gz HGAHSDPUZCWELC-MNOVXSKESA-N 2 2 241.335 -0.425 20 0 BBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000515486140 387387339 /nfs/dbraw/zinc/38/73/39/387387339.db2.gz HGAHSDPUZCWELC-QWRGUYRKSA-N 2 2 241.335 -0.425 20 0 BBADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000515486140 387387333 /nfs/dbraw/zinc/38/73/33/387387333.db2.gz HGAHSDPUZCWELC-QWRGUYRKSA-N 2 2 241.335 -0.425 20 0 BBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CCC[NH2+]2)CCO1 ZINC000515486141 387386472 /nfs/dbraw/zinc/38/64/72/387386472.db2.gz HGAHSDPUZCWELC-WDEREUQCSA-N 2 2 241.335 -0.425 20 0 BBADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2CCC[NH2+]2)CCO1 ZINC000515486141 387386468 /nfs/dbraw/zinc/38/64/68/387386468.db2.gz HGAHSDPUZCWELC-WDEREUQCSA-N 2 2 241.335 -0.425 20 0 BBADLP C[NH2+]CCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000515841896 387433910 /nfs/dbraw/zinc/43/39/10/387433910.db2.gz GEDPTPMBOBYOFM-JTQLQIEISA-N 3 2 228.340 -0.913 20 0 BBADLP C[NH2+]CCCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000515841896 387433905 /nfs/dbraw/zinc/43/39/05/387433905.db2.gz GEDPTPMBOBYOFM-JTQLQIEISA-N 3 2 228.340 -0.913 20 0 BBADLP C[NH2+]CCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000515841900 387434144 /nfs/dbraw/zinc/43/41/44/387434144.db2.gz GEDPTPMBOBYOFM-SNVBAGLBSA-N 3 2 228.340 -0.913 20 0 BBADLP C[NH2+]CCCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000515841900 387434140 /nfs/dbraw/zinc/43/41/40/387434140.db2.gz GEDPTPMBOBYOFM-SNVBAGLBSA-N 3 2 228.340 -0.913 20 0 BBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000515870359 256759940 /nfs/dbraw/zinc/75/99/40/256759940.db2.gz WPOFTPVQAPZGFA-UWVGGRQHSA-N 2 2 237.307 -0.067 20 0 BBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000515870362 387439180 /nfs/dbraw/zinc/43/91/80/387439180.db2.gz WPOFTPVQAPZGFA-ZJUUUORDSA-N 2 2 237.307 -0.067 20 0 BBADLP [NH3+]CC[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000516182709 387467728 /nfs/dbraw/zinc/46/77/28/387467728.db2.gz NBBVVYJULHLVBM-JTQLQIEISA-N 3 2 213.325 -0.368 20 0 BBADLP [NH3+]CC[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000516182709 387467725 /nfs/dbraw/zinc/46/77/25/387467725.db2.gz NBBVVYJULHLVBM-JTQLQIEISA-N 3 2 213.325 -0.368 20 0 BBADLP [NH3+]CC[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000516182710 387468964 /nfs/dbraw/zinc/46/89/64/387468964.db2.gz NBBVVYJULHLVBM-SNVBAGLBSA-N 3 2 213.325 -0.368 20 0 BBADLP [NH3+]CC[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000516182710 387468962 /nfs/dbraw/zinc/46/89/62/387468962.db2.gz NBBVVYJULHLVBM-SNVBAGLBSA-N 3 2 213.325 -0.368 20 0 BBADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000516296109 387497239 /nfs/dbraw/zinc/49/72/39/387497239.db2.gz BBPZUEFSXPAWLE-GMTAPVOTSA-N 2 2 243.351 -0.193 20 0 BBADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000516296109 387497236 /nfs/dbraw/zinc/49/72/36/387497236.db2.gz BBPZUEFSXPAWLE-GMTAPVOTSA-N 2 2 243.351 -0.193 20 0 BBADLP C[C@@H](C(=O)NCC[N@H+]1CCO[C@H](C)C1)[C@H](C)[NH3+] ZINC000516296110 387497898 /nfs/dbraw/zinc/49/78/98/387497898.db2.gz BBPZUEFSXPAWLE-MXWKQRLJSA-N 2 2 243.351 -0.193 20 0 BBADLP C[C@@H](C(=O)NCC[N@@H+]1CCO[C@H](C)C1)[C@H](C)[NH3+] ZINC000516296110 387497896 /nfs/dbraw/zinc/49/78/96/387497896.db2.gz BBPZUEFSXPAWLE-MXWKQRLJSA-N 2 2 243.351 -0.193 20 0 BBADLP C[C@@H]([NH3+])[C@H](C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000516296111 387497727 /nfs/dbraw/zinc/49/77/27/387497727.db2.gz BBPZUEFSXPAWLE-OUAUKWLOSA-N 2 2 243.351 -0.193 20 0 BBADLP C[C@@H]([NH3+])[C@H](C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000516296111 387497723 /nfs/dbraw/zinc/49/77/23/387497723.db2.gz BBPZUEFSXPAWLE-OUAUKWLOSA-N 2 2 243.351 -0.193 20 0 BBADLP C[C@H]([NH3+])[C@H](C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000516296112 387497671 /nfs/dbraw/zinc/49/76/71/387497671.db2.gz BBPZUEFSXPAWLE-VWYCJHECSA-N 2 2 243.351 -0.193 20 0 BBADLP C[C@H]([NH3+])[C@H](C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000516296112 387497669 /nfs/dbraw/zinc/49/76/69/387497669.db2.gz BBPZUEFSXPAWLE-VWYCJHECSA-N 2 2 243.351 -0.193 20 0 BBADLP CO[C@@H]1COC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000516463507 387511710 /nfs/dbraw/zinc/51/17/10/387511710.db2.gz KOHPEWXACMUTBE-IJLUTSLNSA-N 2 2 244.335 -0.555 20 0 BBADLP CO[C@@H]1COC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000516463507 387511705 /nfs/dbraw/zinc/51/17/05/387511705.db2.gz KOHPEWXACMUTBE-IJLUTSLNSA-N 2 2 244.335 -0.555 20 0 BBADLP CO[C@@H]1COC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000516463508 387512273 /nfs/dbraw/zinc/51/22/73/387512273.db2.gz KOHPEWXACMUTBE-QJPTWQEYSA-N 2 2 244.335 -0.555 20 0 BBADLP CO[C@@H]1COC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000516463508 387512270 /nfs/dbraw/zinc/51/22/70/387512270.db2.gz KOHPEWXACMUTBE-QJPTWQEYSA-N 2 2 244.335 -0.555 20 0 BBADLP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H]([NH3+])C1 ZINC000516469859 387513659 /nfs/dbraw/zinc/51/36/59/387513659.db2.gz YZYUPIQAFXHNII-VIFPVBQESA-N 2 2 243.307 -0.959 20 0 BBADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@H]([NH3+])C1 ZINC000516469859 387513657 /nfs/dbraw/zinc/51/36/57/387513657.db2.gz YZYUPIQAFXHNII-VIFPVBQESA-N 2 2 243.307 -0.959 20 0 BBADLP C[C@H]1C[N@@H+](CCNC(=O)C(C)(C)C[NH3+])CCO1 ZINC000516473767 387514460 /nfs/dbraw/zinc/51/44/60/387514460.db2.gz WOFVHKOJXUXLAK-JTQLQIEISA-N 2 2 243.351 -0.192 20 0 BBADLP C[C@H]1C[N@H+](CCNC(=O)C(C)(C)C[NH3+])CCO1 ZINC000516473767 387514456 /nfs/dbraw/zinc/51/44/56/387514456.db2.gz WOFVHKOJXUXLAK-JTQLQIEISA-N 2 2 243.351 -0.192 20 0 BBADLP C[C@@H]1C[N@@H+](CCNC(=O)C(C)(C)C[NH3+])CCO1 ZINC000516473781 387514831 /nfs/dbraw/zinc/51/48/31/387514831.db2.gz WOFVHKOJXUXLAK-SNVBAGLBSA-N 2 2 243.351 -0.192 20 0 BBADLP C[C@@H]1C[N@H+](CCNC(=O)C(C)(C)C[NH3+])CCO1 ZINC000516473781 387514829 /nfs/dbraw/zinc/51/48/29/387514829.db2.gz WOFVHKOJXUXLAK-SNVBAGLBSA-N 2 2 243.351 -0.192 20 0 BBADLP [NH3+][C@H]1C[C@@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000516476797 387514613 /nfs/dbraw/zinc/51/46/13/387514613.db2.gz XKMKHCHHCMMAKZ-OCAPTIKFSA-N 2 2 208.265 -0.194 20 0 BBADLP O=C(NCCCn1cc[nH+]c1)N[C@H]1CC[NH2+]C1 ZINC000516491599 387513713 /nfs/dbraw/zinc/51/37/13/387513713.db2.gz CWLHWGSNZRHXBN-JTQLQIEISA-N 2 2 237.307 -0.066 20 0 BBADLP C[N@H+]1CCN(CC[NH2+]C(C)(C)C)[C@H](C[NH3+])C1 ZINC000516569827 388349701 /nfs/dbraw/zinc/34/97/01/388349701.db2.gz JFFPPIZCOWOZKP-LLVKDONJSA-N 3 2 228.384 -0.051 20 0 BBADLP C[N@@H+]1CCN(CC[NH2+]C(C)(C)C)[C@H](C[NH3+])C1 ZINC000516569827 388349699 /nfs/dbraw/zinc/34/96/99/388349699.db2.gz JFFPPIZCOWOZKP-LLVKDONJSA-N 3 2 228.384 -0.051 20 0 BBADLP C[N@H+]1CCN(CC[NH2+]C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000516569828 388349288 /nfs/dbraw/zinc/34/92/88/388349288.db2.gz JFFPPIZCOWOZKP-NSHDSACASA-N 3 2 228.384 -0.051 20 0 BBADLP C[N@@H+]1CCN(CC[NH2+]C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000516569828 388349286 /nfs/dbraw/zinc/34/92/86/388349286.db2.gz JFFPPIZCOWOZKP-NSHDSACASA-N 3 2 228.384 -0.051 20 0 BBADLP [NH3+]CC[N@@H+](CCO)CCOC[C@H]1CCCO1 ZINC000516650851 256602352 /nfs/dbraw/zinc/60/23/52/256602352.db2.gz IOYIHMHDHVOORW-LLVKDONJSA-N 2 2 232.324 -0.565 20 0 BBADLP [NH3+]CC[N@H+](CCO)CCOC[C@H]1CCCO1 ZINC000516650851 256602350 /nfs/dbraw/zinc/60/23/50/256602350.db2.gz IOYIHMHDHVOORW-LLVKDONJSA-N 2 2 232.324 -0.565 20 0 BBADLP [NH3+]CC[N@@H+](CCO)CCOC[C@@H]1CCCO1 ZINC000516650852 385006619 /nfs/dbraw/zinc/00/66/19/385006619.db2.gz IOYIHMHDHVOORW-NSHDSACASA-N 2 2 232.324 -0.565 20 0 BBADLP [NH3+]CC[N@H+](CCO)CCOC[C@@H]1CCCO1 ZINC000516650852 385006614 /nfs/dbraw/zinc/00/66/14/385006614.db2.gz IOYIHMHDHVOORW-NSHDSACASA-N 2 2 232.324 -0.565 20 0 BBADLP CC[N@@H+](CCO)CC[NH2+]CC1(O)CCC1 ZINC000516867246 388519587 /nfs/dbraw/zinc/51/95/87/388519587.db2.gz OFCRPAATVVUUTN-UHFFFAOYSA-N 2 2 216.325 -0.195 20 0 BBADLP CC[N@H+](CCO)CC[NH2+]CC1(O)CCC1 ZINC000516867246 388519584 /nfs/dbraw/zinc/51/95/84/388519584.db2.gz OFCRPAATVVUUTN-UHFFFAOYSA-N 2 2 216.325 -0.195 20 0 BBADLP Cn1nncc1C[NH2+]C1CC([NH+](C)C)C1 ZINC000516877595 388522825 /nfs/dbraw/zinc/52/28/25/388522825.db2.gz IQCFZUBIMLRNBF-UHFFFAOYSA-N 2 2 209.297 -0.003 20 0 BBADLP Cc1nc(N2CCN(C(=O)[C@@H](C)[NH3+])CC2)cc[nH+]1 ZINC000516925753 388524766 /nfs/dbraw/zinc/52/47/66/388524766.db2.gz CUUVYGPCMAOCEN-SECBINFHSA-N 2 2 249.318 -0.219 20 0 BBADLP Cc1nc(N2CCN(C(=O)[C@H](C)[NH3+])CC2)cc[nH+]1 ZINC000516925754 256806735 /nfs/dbraw/zinc/80/67/35/256806735.db2.gz CUUVYGPCMAOCEN-VIFPVBQESA-N 2 2 249.318 -0.219 20 0 BBADLP COC(=O)CCC[N@@H+](CC[NH3+])CCO ZINC000516927308 388524851 /nfs/dbraw/zinc/52/48/51/388524851.db2.gz HTKKAFBKBBZVMS-UHFFFAOYSA-N 2 2 204.270 -0.807 20 0 BBADLP COC(=O)CCC[N@H+](CC[NH3+])CCO ZINC000516927308 388524849 /nfs/dbraw/zinc/52/48/49/388524849.db2.gz HTKKAFBKBBZVMS-UHFFFAOYSA-N 2 2 204.270 -0.807 20 0 BBADLP O=C(NCCn1cc[nH+]c1)[C@]12C[C@H]1CC[NH2+]2 ZINC000516972700 387047847 /nfs/dbraw/zinc/04/78/47/387047847.db2.gz IZQMNDXOKDOHOD-KOLCDFICSA-N 2 2 220.276 -0.249 20 0 BBADLP CC[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC000517003674 388531020 /nfs/dbraw/zinc/53/10/20/388531020.db2.gz IIQLBYMVDZEHTR-UHFFFAOYSA-N 2 2 210.281 -0.049 20 0 BBADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC3(F)CC3)CCN2C1=O ZINC000517247938 388546002 /nfs/dbraw/zinc/54/60/02/388546002.db2.gz ZQIZFZBUYLAJRO-BDAKNGLRSA-N 2 2 227.283 -0.268 20 0 BBADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CC3(F)CC3)CCN2C1=O ZINC000517247938 388546001 /nfs/dbraw/zinc/54/60/01/388546001.db2.gz ZQIZFZBUYLAJRO-BDAKNGLRSA-N 2 2 227.283 -0.268 20 0 BBADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC3(F)CC3)CCN2C1=O ZINC000517247939 388546154 /nfs/dbraw/zinc/54/61/54/388546154.db2.gz ZQIZFZBUYLAJRO-DTWKUNHWSA-N 2 2 227.283 -0.268 20 0 BBADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CC3(F)CC3)CCN2C1=O ZINC000517247939 388546153 /nfs/dbraw/zinc/54/61/53/388546153.db2.gz ZQIZFZBUYLAJRO-DTWKUNHWSA-N 2 2 227.283 -0.268 20 0 BBADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CC3(F)CC3)CCN2C1=O ZINC000517247940 388546169 /nfs/dbraw/zinc/54/61/69/388546169.db2.gz ZQIZFZBUYLAJRO-IUCAKERBSA-N 2 2 227.283 -0.268 20 0 BBADLP [NH3+][C@H]1C[C@H]2C[N@H+](CC3(F)CC3)CCN2C1=O ZINC000517247940 388546166 /nfs/dbraw/zinc/54/61/66/388546166.db2.gz ZQIZFZBUYLAJRO-IUCAKERBSA-N 2 2 227.283 -0.268 20 0 BBADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC3(F)CC3)CCN2C1=O ZINC000517247941 388545804 /nfs/dbraw/zinc/54/58/04/388545804.db2.gz ZQIZFZBUYLAJRO-RKDXNWHRSA-N 2 2 227.283 -0.268 20 0 BBADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC3(F)CC3)CCN2C1=O ZINC000517247941 388545800 /nfs/dbraw/zinc/54/58/00/388545800.db2.gz ZQIZFZBUYLAJRO-RKDXNWHRSA-N 2 2 227.283 -0.268 20 0 BBADLP Cc1[nH]c(C(=O)NC[C@H]2C[NH2+]CCO2)c[nH+]1 ZINC000517565085 384423768 /nfs/dbraw/zinc/42/37/68/384423768.db2.gz PETAEDBBBYMCMW-MRVPVSSYSA-N 2 2 224.264 -0.564 20 0 BBADLP Cc1[nH]c(C(=O)NC[C@@H]2C[NH2+]CCO2)c[nH+]1 ZINC000517565086 384422688 /nfs/dbraw/zinc/42/26/88/384422688.db2.gz PETAEDBBBYMCMW-QMMMGPOBSA-N 2 2 224.264 -0.564 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000517750072 384407642 /nfs/dbraw/zinc/40/76/42/384407642.db2.gz RXZUHBHYPOAGDW-LLVKDONJSA-N 3 2 227.352 -0.215 20 0 BBADLP C[NH2+]C[C@](C)(O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000517750073 384407539 /nfs/dbraw/zinc/40/75/39/384407539.db2.gz RXZUHBHYPOAGDW-NSHDSACASA-N 3 2 227.352 -0.215 20 0 BBADLP C[NH+](C[C@@H](O)C[N@@H+](C)[C@@H]1COC[C@H]1O)C1CC1 ZINC000518011994 384624814 /nfs/dbraw/zinc/62/48/14/384624814.db2.gz UNVZHFNVGYLBAY-IJLUTSLNSA-N 2 2 244.335 -0.867 20 0 BBADLP C[NH+](C[C@@H](O)C[N@H+](C)[C@@H]1COC[C@H]1O)C1CC1 ZINC000518011994 384624809 /nfs/dbraw/zinc/62/48/09/384624809.db2.gz UNVZHFNVGYLBAY-IJLUTSLNSA-N 2 2 244.335 -0.867 20 0 BBADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1COC[C@H]1O ZINC000518011994 384624805 /nfs/dbraw/zinc/62/48/05/384624805.db2.gz UNVZHFNVGYLBAY-IJLUTSLNSA-N 2 2 244.335 -0.867 20 0 BBADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1COC[C@H]1O ZINC000518011994 384624798 /nfs/dbraw/zinc/62/47/98/384624798.db2.gz UNVZHFNVGYLBAY-IJLUTSLNSA-N 2 2 244.335 -0.867 20 0 BBADLP C[NH+](C[C@H](O)C[N@@H+](C)[C@@H]1COC[C@H]1O)C1CC1 ZINC000518011997 384625277 /nfs/dbraw/zinc/62/52/77/384625277.db2.gz UNVZHFNVGYLBAY-QJPTWQEYSA-N 2 2 244.335 -0.867 20 0 BBADLP C[NH+](C[C@H](O)C[N@H+](C)[C@@H]1COC[C@H]1O)C1CC1 ZINC000518011997 384625270 /nfs/dbraw/zinc/62/52/70/384625270.db2.gz UNVZHFNVGYLBAY-QJPTWQEYSA-N 2 2 244.335 -0.867 20 0 BBADLP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1COC[C@H]1O ZINC000518011997 384625264 /nfs/dbraw/zinc/62/52/64/384625264.db2.gz UNVZHFNVGYLBAY-QJPTWQEYSA-N 2 2 244.335 -0.867 20 0 BBADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1COC[C@H]1O ZINC000518011997 384625260 /nfs/dbraw/zinc/62/52/60/384625260.db2.gz UNVZHFNVGYLBAY-QJPTWQEYSA-N 2 2 244.335 -0.867 20 0 BBADLP C[NH2+]CC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000518529265 383978933 /nfs/dbraw/zinc/97/89/33/383978933.db2.gz FMLKFQNTHRVOPI-UHFFFAOYSA-N 2 2 249.318 -0.347 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000518771230 384710144 /nfs/dbraw/zinc/71/01/44/384710144.db2.gz MBEPKFLKWJAXNP-GFCCVEGCSA-N 3 2 226.368 -0.425 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000518771230 384710140 /nfs/dbraw/zinc/71/01/40/384710140.db2.gz MBEPKFLKWJAXNP-GFCCVEGCSA-N 3 2 226.368 -0.425 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000518771233 384709378 /nfs/dbraw/zinc/70/93/78/384709378.db2.gz MBEPKFLKWJAXNP-LBPRGKRZSA-N 3 2 226.368 -0.425 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000518771233 384709370 /nfs/dbraw/zinc/70/93/70/384709370.db2.gz MBEPKFLKWJAXNP-LBPRGKRZSA-N 3 2 226.368 -0.425 20 0 BBADLP C[NH+](C)CC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000519157725 387023749 /nfs/dbraw/zinc/02/37/49/387023749.db2.gz IKMFSZPHIWNCTK-SSDOTTSWSA-N 2 2 221.251 -0.387 20 0 BBADLP C[NH+](C)CC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000519157726 387025057 /nfs/dbraw/zinc/02/50/57/387025057.db2.gz IKMFSZPHIWNCTK-ZETCQYMHSA-N 2 2 221.251 -0.387 20 0 BBADLP Cn1c[nH+]cc1CN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000519511109 386470005 /nfs/dbraw/zinc/47/00/05/386470005.db2.gz SSADRHSPNJDCII-QWRGUYRKSA-N 2 2 224.308 -0.473 20 0 BBADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)[C@@H](C)O ZINC000519608413 398304574 /nfs/dbraw/zinc/30/45/74/398304574.db2.gz NLVKFILLJFCPSL-NXEZZACHSA-N 2 2 204.314 -0.341 20 0 BBADLP CC[N@H+](CCO)CC[NH2+][C@H](C)[C@@H](C)O ZINC000519608413 398304571 /nfs/dbraw/zinc/30/45/71/398304571.db2.gz NLVKFILLJFCPSL-NXEZZACHSA-N 2 2 204.314 -0.341 20 0 BBADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)[C@H](C)O ZINC000519608459 398177194 /nfs/dbraw/zinc/17/71/94/398177194.db2.gz NLVKFILLJFCPSL-UWVGGRQHSA-N 2 2 204.314 -0.341 20 0 BBADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)[C@H](C)O ZINC000519608459 398177190 /nfs/dbraw/zinc/17/71/90/398177190.db2.gz NLVKFILLJFCPSL-UWVGGRQHSA-N 2 2 204.314 -0.341 20 0 BBADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)[C@@H](C)O ZINC000519608460 398177415 /nfs/dbraw/zinc/17/74/15/398177415.db2.gz NLVKFILLJFCPSL-VHSXEESVSA-N 2 2 204.314 -0.341 20 0 BBADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)[C@@H](C)O ZINC000519608460 398177413 /nfs/dbraw/zinc/17/74/13/398177413.db2.gz NLVKFILLJFCPSL-VHSXEESVSA-N 2 2 204.314 -0.341 20 0 BBADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)[C@H](C)O ZINC000519608489 398177378 /nfs/dbraw/zinc/17/73/78/398177378.db2.gz NLVKFILLJFCPSL-ZJUUUORDSA-N 2 2 204.314 -0.341 20 0 BBADLP CC[N@H+](CCO)CC[NH2+][C@H](C)[C@H](C)O ZINC000519608489 398177371 /nfs/dbraw/zinc/17/73/71/398177371.db2.gz NLVKFILLJFCPSL-ZJUUUORDSA-N 2 2 204.314 -0.341 20 0 BBADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CC(F)(F)C[NH2+]1 ZINC000519649461 386515833 /nfs/dbraw/zinc/51/58/33/386515833.db2.gz YMSITNYWJYGOCM-CWKFCGSDSA-N 2 2 231.246 -0.682 20 0 BBADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000519649580 386516311 /nfs/dbraw/zinc/51/63/11/386516311.db2.gz YMSITNYWJYGOCM-FKSUSPILSA-N 2 2 231.246 -0.682 20 0 BBADLP CNC(=O)C1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000519671036 386525472 /nfs/dbraw/zinc/52/54/72/386525472.db2.gz PNVOLWFIYQCKBI-LLVKDONJSA-N 2 2 241.335 -0.881 20 0 BBADLP CNC(=O)C1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000519671036 386525469 /nfs/dbraw/zinc/52/54/69/386525469.db2.gz PNVOLWFIYQCKBI-LLVKDONJSA-N 2 2 241.335 -0.881 20 0 BBADLP CNC(=O)C1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000519671219 386525296 /nfs/dbraw/zinc/52/52/96/386525296.db2.gz PNVOLWFIYQCKBI-NSHDSACASA-N 2 2 241.335 -0.881 20 0 BBADLP CNC(=O)C1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000519671219 386525292 /nfs/dbraw/zinc/52/52/92/386525292.db2.gz PNVOLWFIYQCKBI-NSHDSACASA-N 2 2 241.335 -0.881 20 0 BBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CC[NH2+]1 ZINC000519704754 386540569 /nfs/dbraw/zinc/54/05/69/386540569.db2.gz AWCLMWCQDYMDML-SNVBAGLBSA-N 2 2 227.308 -0.861 20 0 BBADLP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000519768993 386552792 /nfs/dbraw/zinc/55/27/92/386552792.db2.gz MMXTUOAIUGIVHB-GUBZILKMSA-N 3 2 228.340 -0.929 20 0 BBADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])[C@H](C)[NH3+] ZINC000519769027 386550750 /nfs/dbraw/zinc/55/07/50/386550750.db2.gz MMXTUOAIUGIVHB-KXUCPTDWSA-N 3 2 228.340 -0.929 20 0 BBADLP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000519769031 386552653 /nfs/dbraw/zinc/55/26/53/386552653.db2.gz MMXTUOAIUGIVHB-LPEHRKFASA-N 3 2 228.340 -0.929 20 0 BBADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])[C@H](C)[NH3+] ZINC000519769033 386550785 /nfs/dbraw/zinc/55/07/85/386550785.db2.gz MMXTUOAIUGIVHB-UTLUCORTSA-N 3 2 228.340 -0.929 20 0 BBADLP C[NH+](C)CC(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000519854082 386570242 /nfs/dbraw/zinc/57/02/42/386570242.db2.gz XSXRMMCGFXCDQK-UHFFFAOYSA-N 2 2 237.307 -0.380 20 0 BBADLP CC(C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000520234131 386609583 /nfs/dbraw/zinc/60/95/83/386609583.db2.gz OQQDOYXJJURCOK-MNOVXSKESA-N 2 2 243.351 -0.193 20 0 BBADLP CC(C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000520234132 386611276 /nfs/dbraw/zinc/61/12/76/386611276.db2.gz OQQDOYXJJURCOK-QWRGUYRKSA-N 2 2 243.351 -0.193 20 0 BBADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000520252610 386619557 /nfs/dbraw/zinc/61/95/57/386619557.db2.gz ALAKCOSXNKVOAA-GRYCIOLGSA-N 3 2 226.368 -0.251 20 0 BBADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000520252611 386619032 /nfs/dbraw/zinc/61/90/32/386619032.db2.gz ALAKCOSXNKVOAA-IJLUTSLNSA-N 3 2 226.368 -0.251 20 0 BBADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000520252612 386619895 /nfs/dbraw/zinc/61/98/95/386619895.db2.gz ALAKCOSXNKVOAA-QJPTWQEYSA-N 3 2 226.368 -0.251 20 0 BBADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000520252613 386619385 /nfs/dbraw/zinc/61/93/85/386619385.db2.gz ALAKCOSXNKVOAA-SDDRHHMPSA-N 3 2 226.368 -0.251 20 0 BBADLP CC[NH+](CC)CCC[NH2+][C@]1(C(N)=O)CCOC1 ZINC000520423784 355920391 /nfs/dbraw/zinc/92/03/91/355920391.db2.gz KMXJSBIRUXNHQU-GFCCVEGCSA-N 2 2 243.351 -0.048 20 0 BBADLP CC[NH+](CC)CCC[NH2+][C@@]1(C(N)=O)CCOC1 ZINC000520423785 355921479 /nfs/dbraw/zinc/92/14/79/355921479.db2.gz KMXJSBIRUXNHQU-LBPRGKRZSA-N 2 2 243.351 -0.048 20 0 BBADLP C[C@H]([NH3+])CCNC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000520583050 386701442 /nfs/dbraw/zinc/70/14/42/386701442.db2.gz IAZFALOTLBUJFJ-QWRGUYRKSA-N 2 2 242.367 -0.524 20 0 BBADLP C[C@H](C(=O)NCC[C@H](C)[NH3+])[NH+]1CCN(C)CC1 ZINC000520583051 386699984 /nfs/dbraw/zinc/69/99/84/386699984.db2.gz IAZFALOTLBUJFJ-WDEREUQCSA-N 2 2 242.367 -0.524 20 0 BBADLP C[C@@H]1C[C@@H]1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000520768342 387545329 /nfs/dbraw/zinc/54/53/29/387545329.db2.gz IKXKEKQPDFXLRA-GMTAPVOTSA-N 2 2 240.351 -0.073 20 0 BBADLP C[C@@H]1C[C@@H]1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000520768342 387545325 /nfs/dbraw/zinc/54/53/25/387545325.db2.gz IKXKEKQPDFXLRA-GMTAPVOTSA-N 2 2 240.351 -0.073 20 0 BBADLP C[C@@H]1C[C@@H]1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000520768344 387545829 /nfs/dbraw/zinc/54/58/29/387545829.db2.gz IKXKEKQPDFXLRA-MXWKQRLJSA-N 2 2 240.351 -0.073 20 0 BBADLP C[C@@H]1C[C@@H]1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000520768344 387545828 /nfs/dbraw/zinc/54/58/28/387545828.db2.gz IKXKEKQPDFXLRA-MXWKQRLJSA-N 2 2 240.351 -0.073 20 0 BBADLP C[C@@H]1C[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000520768345 387545153 /nfs/dbraw/zinc/54/51/53/387545153.db2.gz IKXKEKQPDFXLRA-OUAUKWLOSA-N 2 2 240.351 -0.073 20 0 BBADLP C[C@@H]1C[C@H]1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000520768345 387545148 /nfs/dbraw/zinc/54/51/48/387545148.db2.gz IKXKEKQPDFXLRA-OUAUKWLOSA-N 2 2 240.351 -0.073 20 0 BBADLP C[C@@H]1C[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000520768346 387544610 /nfs/dbraw/zinc/54/46/10/387544610.db2.gz IKXKEKQPDFXLRA-VWYCJHECSA-N 2 2 240.351 -0.073 20 0 BBADLP C[C@@H]1C[C@H]1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000520768346 387544608 /nfs/dbraw/zinc/54/46/08/387544608.db2.gz IKXKEKQPDFXLRA-VWYCJHECSA-N 2 2 240.351 -0.073 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@H]1O)C1CC1 ZINC000520813294 324110103 /nfs/dbraw/zinc/11/01/03/324110103.db2.gz YZNHBRGUXNXWGA-GMTAPVOTSA-N 2 2 214.309 -0.446 20 0 BBADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@H]1O)C1CC1 ZINC000520813294 324110098 /nfs/dbraw/zinc/11/00/98/324110098.db2.gz YZNHBRGUXNXWGA-GMTAPVOTSA-N 2 2 214.309 -0.446 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CC[C@H]1O)C1CC1 ZINC000520813295 324110017 /nfs/dbraw/zinc/11/00/17/324110017.db2.gz YZNHBRGUXNXWGA-HBNTYKKESA-N 2 2 214.309 -0.446 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CC[C@H]1O)C1CC1 ZINC000520813295 324110016 /nfs/dbraw/zinc/11/00/16/324110016.db2.gz YZNHBRGUXNXWGA-HBNTYKKESA-N 2 2 214.309 -0.446 20 0 BBADLP Cc1[nH]c(C(=O)NCCN2CC[NH2+]CC2)c[nH+]1 ZINC000521433540 385825296 /nfs/dbraw/zinc/82/52/96/385825296.db2.gz GIDUQGKKXSZUCI-UHFFFAOYSA-N 2 2 237.307 -0.647 20 0 BBADLP C[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000521873001 388637152 /nfs/dbraw/zinc/63/71/52/388637152.db2.gz VPWUCEFZCOCWPU-UHFFFAOYSA-N 2 2 246.274 -0.389 20 0 BBADLP C[NH2+]Cc1noc(C(C)(C)N2CC[NH2+]CC2)n1 ZINC000522000585 388673730 /nfs/dbraw/zinc/67/37/30/388673730.db2.gz YWDLOPOQLRADRO-UHFFFAOYSA-N 2 2 239.323 -0.071 20 0 BBADLP C[C@@H]([NH3+])C[N@@H+](C)CCNC(=O)N(C)C ZINC000522001536 388673686 /nfs/dbraw/zinc/67/36/86/388673686.db2.gz WGNJQVZAJVXGIY-MRVPVSSYSA-N 2 2 202.302 -0.463 20 0 BBADLP C[C@@H]([NH3+])C[N@H+](C)CCNC(=O)N(C)C ZINC000522001536 388673684 /nfs/dbraw/zinc/67/36/84/388673684.db2.gz WGNJQVZAJVXGIY-MRVPVSSYSA-N 2 2 202.302 -0.463 20 0 BBADLP C[C@H]([NH3+])C[N@@H+](C)CCNC(=O)N(C)C ZINC000522001537 388674013 /nfs/dbraw/zinc/67/40/13/388674013.db2.gz WGNJQVZAJVXGIY-QMMMGPOBSA-N 2 2 202.302 -0.463 20 0 BBADLP C[C@H]([NH3+])C[N@H+](C)CCNC(=O)N(C)C ZINC000522001537 388674011 /nfs/dbraw/zinc/67/40/11/388674011.db2.gz WGNJQVZAJVXGIY-QMMMGPOBSA-N 2 2 202.302 -0.463 20 0 BBADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+](C)CC1 ZINC000527632449 387642939 /nfs/dbraw/zinc/64/29/39/387642939.db2.gz HGVAOXJBHQUHOP-UHFFFAOYSA-N 2 2 222.292 -0.034 20 0 BBADLP COCC[N@H+]1CC[C@@H](NC[C@H]2COCC[NH2+]2)C1 ZINC000530181688 388622881 /nfs/dbraw/zinc/62/28/81/388622881.db2.gz MLCFGALAFGNNKC-NEPJUHHUSA-N 2 2 243.351 -0.715 20 0 BBADLP COCC[N@@H+]1CC[C@@H](NC[C@H]2COCC[NH2+]2)C1 ZINC000530181688 388622880 /nfs/dbraw/zinc/62/28/80/388622880.db2.gz MLCFGALAFGNNKC-NEPJUHHUSA-N 2 2 243.351 -0.715 20 0 BBADLP COCC[N@H+]1CC[C@H](NC[C@@H]2COCC[NH2+]2)C1 ZINC000530181689 388623173 /nfs/dbraw/zinc/62/31/73/388623173.db2.gz MLCFGALAFGNNKC-NWDGAFQWSA-N 2 2 243.351 -0.715 20 0 BBADLP COCC[N@@H+]1CC[C@H](NC[C@@H]2COCC[NH2+]2)C1 ZINC000530181689 388623170 /nfs/dbraw/zinc/62/31/70/388623170.db2.gz MLCFGALAFGNNKC-NWDGAFQWSA-N 2 2 243.351 -0.715 20 0 BBADLP COCC[N@H+]1CC[C@H](NC[C@H]2COCC[NH2+]2)C1 ZINC000530181690 388623019 /nfs/dbraw/zinc/62/30/19/388623019.db2.gz MLCFGALAFGNNKC-RYUDHWBXSA-N 2 2 243.351 -0.715 20 0 BBADLP COCC[N@@H+]1CC[C@H](NC[C@H]2COCC[NH2+]2)C1 ZINC000530181690 388623015 /nfs/dbraw/zinc/62/30/15/388623015.db2.gz MLCFGALAFGNNKC-RYUDHWBXSA-N 2 2 243.351 -0.715 20 0 BBADLP COCC[N@H+]1CC[C@@H](NC[C@@H]2COCC[NH2+]2)C1 ZINC000530181691 388623228 /nfs/dbraw/zinc/62/32/28/388623228.db2.gz MLCFGALAFGNNKC-VXGBXAGGSA-N 2 2 243.351 -0.715 20 0 BBADLP COCC[N@@H+]1CC[C@@H](NC[C@@H]2COCC[NH2+]2)C1 ZINC000530181691 388623226 /nfs/dbraw/zinc/62/32/26/388623226.db2.gz MLCFGALAFGNNKC-VXGBXAGGSA-N 2 2 243.351 -0.715 20 0 BBADLP Cn1cc[nH+]c1CNC[C@@H]1COCC[NH2+]1 ZINC000530182084 388620880 /nfs/dbraw/zinc/62/08/80/388620880.db2.gz RCYZXFIVCBNSEO-SECBINFHSA-N 2 2 210.281 -0.502 20 0 BBADLP Cn1cc[nH+]c1CNC[C@H]1COCC[NH2+]1 ZINC000530182087 388621716 /nfs/dbraw/zinc/62/17/16/388621716.db2.gz RCYZXFIVCBNSEO-VIFPVBQESA-N 2 2 210.281 -0.502 20 0 BBADLP CCn1cc[nH+]c1CNC[C@H]1COCC[NH2+]1 ZINC000530182242 388622737 /nfs/dbraw/zinc/62/27/37/388622737.db2.gz SLBRQWSALPKMFE-JTQLQIEISA-N 2 2 224.308 -0.019 20 0 BBADLP CCn1cc[nH+]c1CNC[C@@H]1COCC[NH2+]1 ZINC000530182243 388623216 /nfs/dbraw/zinc/62/32/16/388623216.db2.gz SLBRQWSALPKMFE-SNVBAGLBSA-N 2 2 224.308 -0.019 20 0 BBADLP CCn1ncc(C[NH2+][C@H](C)C2C[NH2+]C2)n1 ZINC000530212605 388628285 /nfs/dbraw/zinc/62/82/85/388628285.db2.gz SIWQLHPWODVAOW-MRVPVSSYSA-N 2 2 209.297 -0.005 20 0 BBADLP CCn1ncc(C[NH2+][C@@H](C)C2C[NH2+]C2)n1 ZINC000530212608 388627490 /nfs/dbraw/zinc/62/74/90/388627490.db2.gz SIWQLHPWODVAOW-QMMMGPOBSA-N 2 2 209.297 -0.005 20 0 BBADLP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H]1COCC[NH2+]1 ZINC000530225616 388635560 /nfs/dbraw/zinc/63/55/60/388635560.db2.gz UOYXRBQZVGSAGE-GRYCIOLGSA-N 2 2 227.352 -0.095 20 0 BBADLP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H]1COCC[NH2+]1 ZINC000530225616 388635558 /nfs/dbraw/zinc/63/55/58/388635558.db2.gz UOYXRBQZVGSAGE-GRYCIOLGSA-N 2 2 227.352 -0.095 20 0 BBADLP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H]1COCC[NH2+]1 ZINC000530225617 388635374 /nfs/dbraw/zinc/63/53/74/388635374.db2.gz UOYXRBQZVGSAGE-IJLUTSLNSA-N 2 2 227.352 -0.095 20 0 BBADLP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H]1COCC[NH2+]1 ZINC000530225617 388635373 /nfs/dbraw/zinc/63/53/73/388635373.db2.gz UOYXRBQZVGSAGE-IJLUTSLNSA-N 2 2 227.352 -0.095 20 0 BBADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H]1COCC[NH2+]1 ZINC000530225618 388635451 /nfs/dbraw/zinc/63/54/51/388635451.db2.gz UOYXRBQZVGSAGE-UTUOFQBUSA-N 2 2 227.352 -0.095 20 0 BBADLP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H]1COCC[NH2+]1 ZINC000530225618 388635449 /nfs/dbraw/zinc/63/54/49/388635449.db2.gz UOYXRBQZVGSAGE-UTUOFQBUSA-N 2 2 227.352 -0.095 20 0 BBADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H]1COCC[NH2+]1 ZINC000530225619 388635352 /nfs/dbraw/zinc/63/53/52/388635352.db2.gz UOYXRBQZVGSAGE-WOPDTQHZSA-N 2 2 227.352 -0.095 20 0 BBADLP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H]1COCC[NH2+]1 ZINC000530225619 388635350 /nfs/dbraw/zinc/63/53/50/388635350.db2.gz UOYXRBQZVGSAGE-WOPDTQHZSA-N 2 2 227.352 -0.095 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@@H]1COCC[NH2+]1 ZINC000530226054 388635706 /nfs/dbraw/zinc/63/57/06/388635706.db2.gz VQFVWYPFDMCZGW-GMTAPVOTSA-N 2 2 213.325 -0.486 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@@H]1COCC[NH2+]1 ZINC000530226054 388635705 /nfs/dbraw/zinc/63/57/05/388635705.db2.gz VQFVWYPFDMCZGW-GMTAPVOTSA-N 2 2 213.325 -0.486 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@@H]1COCC[NH2+]1 ZINC000530226055 388635414 /nfs/dbraw/zinc/63/54/14/388635414.db2.gz VQFVWYPFDMCZGW-MXWKQRLJSA-N 2 2 213.325 -0.486 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@@H]1COCC[NH2+]1 ZINC000530226055 388635412 /nfs/dbraw/zinc/63/54/12/388635412.db2.gz VQFVWYPFDMCZGW-MXWKQRLJSA-N 2 2 213.325 -0.486 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@H]1COCC[NH2+]1 ZINC000530226056 388635893 /nfs/dbraw/zinc/63/58/93/388635893.db2.gz VQFVWYPFDMCZGW-OUAUKWLOSA-N 2 2 213.325 -0.486 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@H]1COCC[NH2+]1 ZINC000530226056 388635891 /nfs/dbraw/zinc/63/58/91/388635891.db2.gz VQFVWYPFDMCZGW-OUAUKWLOSA-N 2 2 213.325 -0.486 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@H]1COCC[NH2+]1 ZINC000530226057 388635730 /nfs/dbraw/zinc/63/57/30/388635730.db2.gz VQFVWYPFDMCZGW-VWYCJHECSA-N 2 2 213.325 -0.486 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@H]1COCC[NH2+]1 ZINC000530226057 388635728 /nfs/dbraw/zinc/63/57/28/388635728.db2.gz VQFVWYPFDMCZGW-VWYCJHECSA-N 2 2 213.325 -0.486 20 0 BBADLP C[C@H](C[C@H]1COCC[NH2+]1)NC[C@@H]1COCC[NH2+]1 ZINC000530227740 323219599 /nfs/dbraw/zinc/21/95/99/323219599.db2.gz ZRRCIZUDAHQATB-GRYCIOLGSA-N 2 2 243.351 -0.669 20 0 BBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1COCCN1 ZINC000530227740 323219596 /nfs/dbraw/zinc/21/95/96/323219596.db2.gz ZRRCIZUDAHQATB-GRYCIOLGSA-N 2 2 243.351 -0.669 20 0 BBADLP C[C@H](C[C@@H]1COCC[NH2+]1)NC[C@@H]1COCC[NH2+]1 ZINC000530227741 323219642 /nfs/dbraw/zinc/21/96/42/323219642.db2.gz ZRRCIZUDAHQATB-IJLUTSLNSA-N 2 2 243.351 -0.669 20 0 BBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1COCCN1 ZINC000530227741 323219639 /nfs/dbraw/zinc/21/96/39/323219639.db2.gz ZRRCIZUDAHQATB-IJLUTSLNSA-N 2 2 243.351 -0.669 20 0 BBADLP C[C@H](C[C@@H]1COCC[NH2+]1)NC[C@H]1COCC[NH2+]1 ZINC000530227742 323219390 /nfs/dbraw/zinc/21/93/90/323219390.db2.gz ZRRCIZUDAHQATB-UTUOFQBUSA-N 2 2 243.351 -0.669 20 0 BBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1COCCN1 ZINC000530227742 323219389 /nfs/dbraw/zinc/21/93/89/323219389.db2.gz ZRRCIZUDAHQATB-UTUOFQBUSA-N 2 2 243.351 -0.669 20 0 BBADLP C[C@H](C[C@H]1COCC[NH2+]1)NC[C@H]1COCC[NH2+]1 ZINC000530227743 323219455 /nfs/dbraw/zinc/21/94/55/323219455.db2.gz ZRRCIZUDAHQATB-WOPDTQHZSA-N 2 2 243.351 -0.669 20 0 BBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1COCCN1 ZINC000530227743 323219454 /nfs/dbraw/zinc/21/94/54/323219454.db2.gz ZRRCIZUDAHQATB-WOPDTQHZSA-N 2 2 243.351 -0.669 20 0 BBADLP [NH3+]CCC[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000530232879 388636636 /nfs/dbraw/zinc/63/66/36/388636636.db2.gz BWYLLGFASBYWAE-ZJUUUORDSA-N 2 2 232.349 -0.013 20 0 BBADLP [NH3+]CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000530232879 388636635 /nfs/dbraw/zinc/63/66/35/388636635.db2.gz BWYLLGFASBYWAE-ZJUUUORDSA-N 2 2 232.349 -0.013 20 0 BBADLP C[NH+](C)CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000530702879 322891001 /nfs/dbraw/zinc/89/10/01/322891001.db2.gz WLCBFDXZBVMJDZ-UHFFFAOYSA-N 2 2 208.265 -0.172 20 0 BBADLP O=C(NCCn1cc[nH+]c1)NCC[NH+]1CCC1 ZINC000533112447 387973964 /nfs/dbraw/zinc/97/39/64/387973964.db2.gz UFQDZOVEUXESFC-UHFFFAOYSA-N 2 2 237.307 -0.112 20 0 BBADLP CNC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534581425 323154046 /nfs/dbraw/zinc/15/40/46/323154046.db2.gz KEXNPPUMOFDBPK-SECBINFHSA-N 2 2 222.292 -0.045 20 0 BBADLP CNC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534581425 323154045 /nfs/dbraw/zinc/15/40/45/323154045.db2.gz KEXNPPUMOFDBPK-SECBINFHSA-N 2 2 222.292 -0.045 20 0 BBADLP CNC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534581426 323153992 /nfs/dbraw/zinc/15/39/92/323153992.db2.gz KEXNPPUMOFDBPK-VIFPVBQESA-N 2 2 222.292 -0.045 20 0 BBADLP CNC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534581426 323153991 /nfs/dbraw/zinc/15/39/91/323153991.db2.gz KEXNPPUMOFDBPK-VIFPVBQESA-N 2 2 222.292 -0.045 20 0 BBADLP CN(CCC[NH+](C)C)C(=O)[C@H]1COCC[N@H+]1C ZINC000540963677 388832165 /nfs/dbraw/zinc/83/21/65/388832165.db2.gz XSTIQJHNCVMHLM-LLVKDONJSA-N 2 2 243.351 -0.273 20 0 BBADLP CN(CCC[NH+](C)C)C(=O)[C@H]1COCC[N@@H+]1C ZINC000540963677 388832162 /nfs/dbraw/zinc/83/21/62/388832162.db2.gz XSTIQJHNCVMHLM-LLVKDONJSA-N 2 2 243.351 -0.273 20 0 BBADLP CN(CCC[NH+](C)C)C(=O)[C@@H]1COCC[N@H+]1C ZINC000540963678 388831586 /nfs/dbraw/zinc/83/15/86/388831586.db2.gz XSTIQJHNCVMHLM-NSHDSACASA-N 2 2 243.351 -0.273 20 0 BBADLP CN(CCC[NH+](C)C)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000540963678 388831585 /nfs/dbraw/zinc/83/15/85/388831585.db2.gz XSTIQJHNCVMHLM-NSHDSACASA-N 2 2 243.351 -0.273 20 0 BBADLP CCc1cc(N2CC[NH2+][C@H](C(N)=O)C2)nc(C)[nH+]1 ZINC000541078611 324946042 /nfs/dbraw/zinc/94/60/42/324946042.db2.gz NFSDDBFOWPDOCH-JTQLQIEISA-N 2 2 249.318 -0.389 20 0 BBADLP CCc1cc(N2CC[NH2+][C@@H](C(N)=O)C2)nc(C)[nH+]1 ZINC000541078627 388839617 /nfs/dbraw/zinc/83/96/17/388839617.db2.gz NFSDDBFOWPDOCH-SNVBAGLBSA-N 2 2 249.318 -0.389 20 0 BBADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(CO)o2)C1 ZINC000545853510 325239772 /nfs/dbraw/zinc/23/97/72/325239772.db2.gz FYUXVJMPNPOSLJ-GFCCVEGCSA-N 2 2 240.303 -0.072 20 0 BBADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(CO)o2)C1 ZINC000545853510 325239770 /nfs/dbraw/zinc/23/97/70/325239770.db2.gz FYUXVJMPNPOSLJ-GFCCVEGCSA-N 2 2 240.303 -0.072 20 0 BBADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(CO)o2)C1 ZINC000545853511 325239800 /nfs/dbraw/zinc/23/98/00/325239800.db2.gz FYUXVJMPNPOSLJ-LBPRGKRZSA-N 2 2 240.303 -0.072 20 0 BBADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(CO)o2)C1 ZINC000545853511 325239799 /nfs/dbraw/zinc/23/97/99/325239799.db2.gz FYUXVJMPNPOSLJ-LBPRGKRZSA-N 2 2 240.303 -0.072 20 0 BBADLP Cn1cc[nH+]c1CNc1cc[nH+]cc1C(N)=O ZINC000546575636 325287888 /nfs/dbraw/zinc/28/78/88/325287888.db2.gz MIZVALNWXAFGHK-UHFFFAOYSA-N 2 2 231.259 -0.052 20 0 BBADLP Cn1c[nH+]cc1CCNC(=O)C[NH+](C)C ZINC000547860628 364436049 /nfs/dbraw/zinc/43/60/49/364436049.db2.gz VOKBXALDNMNPLR-UHFFFAOYSA-N 2 2 210.281 -0.360 20 0 BBADLP Cn1c[nH+]cc1CC(=O)N1CC[NH+](C)CC1 ZINC000548254934 388523560 /nfs/dbraw/zinc/52/35/60/388523560.db2.gz VYOMFHYJIJCCPW-UHFFFAOYSA-N 2 2 222.292 -0.263 20 0 BBADLP NC(=O)NC(=O)CC[NH2+]CCCn1cc[nH+]c1 ZINC000548832183 388564345 /nfs/dbraw/zinc/56/43/45/388564345.db2.gz PAJCVNJQWCTUOS-UHFFFAOYSA-N 2 2 239.279 -0.552 20 0 BBADLP C[C@H]1C[N@@H+](CCNC(=O)C[NH+](C)C)CCO1 ZINC000550547397 388610686 /nfs/dbraw/zinc/61/06/86/388610686.db2.gz KNRBVBRDJNMSNQ-JTQLQIEISA-N 2 2 229.324 -0.615 20 0 BBADLP C[C@H]1C[N@H+](CCNC(=O)C[NH+](C)C)CCO1 ZINC000550547397 388610684 /nfs/dbraw/zinc/61/06/84/388610684.db2.gz KNRBVBRDJNMSNQ-JTQLQIEISA-N 2 2 229.324 -0.615 20 0 BBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[NH+](C)C)CCO1 ZINC000550547398 388610539 /nfs/dbraw/zinc/61/05/39/388610539.db2.gz KNRBVBRDJNMSNQ-SNVBAGLBSA-N 2 2 229.324 -0.615 20 0 BBADLP C[C@@H]1C[N@H+](CCNC(=O)C[NH+](C)C)CCO1 ZINC000550547398 388610537 /nfs/dbraw/zinc/61/05/37/388610537.db2.gz KNRBVBRDJNMSNQ-SNVBAGLBSA-N 2 2 229.324 -0.615 20 0 BBADLP C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)c1[nH]cc[nH+]1 ZINC000552227775 388682899 /nfs/dbraw/zinc/68/28/99/388682899.db2.gz QJIMPNDKLJUKLJ-BDAKNGLRSA-N 2 2 238.291 -0.083 20 0 BBADLP C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)c1[nH]cc[nH+]1 ZINC000552227775 388682898 /nfs/dbraw/zinc/68/28/98/388682898.db2.gz QJIMPNDKLJUKLJ-BDAKNGLRSA-N 2 2 238.291 -0.083 20 0 BBADLP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)c1[nH]cc[nH+]1 ZINC000552227776 388682789 /nfs/dbraw/zinc/68/27/89/388682789.db2.gz QJIMPNDKLJUKLJ-RKDXNWHRSA-N 2 2 238.291 -0.083 20 0 BBADLP C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)c1[nH]cc[nH+]1 ZINC000552227776 388682783 /nfs/dbraw/zinc/68/27/83/388682783.db2.gz QJIMPNDKLJUKLJ-RKDXNWHRSA-N 2 2 238.291 -0.083 20 0 BBADLP C[NH+](C)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000553050197 388746136 /nfs/dbraw/zinc/74/61/36/388746136.db2.gz CJBNHKOETJAFMN-UHFFFAOYSA-N 2 2 208.265 -0.345 20 0 BBADLP COC[C@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000555903344 322977341 /nfs/dbraw/zinc/97/73/41/322977341.db2.gz LVSKMCOWRAHQNS-SNVBAGLBSA-N 2 2 240.307 -0.461 20 0 BBADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)N1CCC1 ZINC000556069398 325776185 /nfs/dbraw/zinc/77/61/85/325776185.db2.gz BLMHCTJUEUHJOL-UHFFFAOYSA-N 2 2 249.318 -0.236 20 0 BBADLP O=C(Cn1cc[nH+]c1)NCC[NH+]1CCOCC1 ZINC000558642878 384231340 /nfs/dbraw/zinc/23/13/40/384231340.db2.gz QWRCCYXMMPBDSZ-UHFFFAOYSA-N 2 2 238.291 -0.669 20 0 BBADLP C[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000558643812 398183443 /nfs/dbraw/zinc/18/34/43/398183443.db2.gz ANMIARBMSMJBQV-JTQLQIEISA-N 2 2 222.292 -0.049 20 0 BBADLP C[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000558643812 398183440 /nfs/dbraw/zinc/18/34/40/398183440.db2.gz ANMIARBMSMJBQV-JTQLQIEISA-N 2 2 222.292 -0.049 20 0 BBADLP C[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000558643818 398183280 /nfs/dbraw/zinc/18/32/80/398183280.db2.gz ANMIARBMSMJBQV-SNVBAGLBSA-N 2 2 222.292 -0.049 20 0 BBADLP C[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000558643818 398183277 /nfs/dbraw/zinc/18/32/77/398183277.db2.gz ANMIARBMSMJBQV-SNVBAGLBSA-N 2 2 222.292 -0.049 20 0 BBADLP C[NH+](C)CCOCCNC(=O)Cn1cc[nH+]c1 ZINC000558650531 384230334 /nfs/dbraw/zinc/23/03/34/384230334.db2.gz BIPOGGNPVVFZHN-UHFFFAOYSA-N 2 2 240.307 -0.423 20 0 BBADLP CN(C)C(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000559286027 398290281 /nfs/dbraw/zinc/29/02/81/398290281.db2.gz OGVOEWCKPBRQOT-UHFFFAOYSA-N 2 2 237.307 -0.380 20 0 BBADLP NC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000559290347 384973169 /nfs/dbraw/zinc/97/31/69/384973169.db2.gz VYWDVUFYYFPIPW-UHFFFAOYSA-N 2 2 209.253 -0.983 20 0 BBADLP O=C(CCOC1C[NH2+]C1)Nc1cc[nH+]cc1O ZINC000563075027 347603083 /nfs/dbraw/zinc/60/30/83/347603083.db2.gz RAPONJIGWITNPP-UHFFFAOYSA-N 2 2 237.259 -0.474 20 0 BBADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)CC1(F)CC1 ZINC000563129527 323094297 /nfs/dbraw/zinc/09/42/97/323094297.db2.gz FWCDRAFQXKHVOY-UHFFFAOYSA-N 2 2 229.299 -0.148 20 0 BBADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)CC1(F)CC1 ZINC000563129527 323094296 /nfs/dbraw/zinc/09/42/96/323094296.db2.gz FWCDRAFQXKHVOY-UHFFFAOYSA-N 2 2 229.299 -0.148 20 0 BBADLP Nc1ncc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)s1 ZINC000563135039 411962374 /nfs/dbraw/zinc/96/23/74/411962374.db2.gz CLVBWMIHNYCOPE-JIGDXULJSA-N 2 2 210.306 0.033 20 0 BBADLP COC[C@@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000563137448 323094762 /nfs/dbraw/zinc/09/47/62/323094762.db2.gz FSVUMAMNMFTPST-NEPJUHHUSA-N 2 2 246.351 -0.570 20 0 BBADLP COC[C@@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000563137448 323094761 /nfs/dbraw/zinc/09/47/61/323094761.db2.gz FSVUMAMNMFTPST-NEPJUHHUSA-N 2 2 246.351 -0.570 20 0 BBADLP COC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000563137449 323094753 /nfs/dbraw/zinc/09/47/53/323094753.db2.gz FSVUMAMNMFTPST-RYUDHWBXSA-N 2 2 246.351 -0.570 20 0 BBADLP COC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000563137449 323094752 /nfs/dbraw/zinc/09/47/52/323094752.db2.gz FSVUMAMNMFTPST-RYUDHWBXSA-N 2 2 246.351 -0.570 20 0 BBADLP CC(C)COC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C ZINC000563140771 323095041 /nfs/dbraw/zinc/09/50/41/323095041.db2.gz FNIAIJYRYQOGFD-NEPJUHHUSA-N 2 2 248.367 -0.468 20 0 BBADLP CC(C)COC[C@H](O)C[NH2+]C[C@H](O)C[NH+](C)C ZINC000563140780 323095258 /nfs/dbraw/zinc/09/52/58/323095258.db2.gz FNIAIJYRYQOGFD-NWDGAFQWSA-N 2 2 248.367 -0.468 20 0 BBADLP CC(C)COC[C@@H](O)C[NH2+]C[C@H](O)C[NH+](C)C ZINC000563140781 323095187 /nfs/dbraw/zinc/09/51/87/323095187.db2.gz FNIAIJYRYQOGFD-RYUDHWBXSA-N 2 2 248.367 -0.468 20 0 BBADLP CC(C)COC[C@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C ZINC000563140782 323095213 /nfs/dbraw/zinc/09/52/13/323095213.db2.gz FNIAIJYRYQOGFD-VXGBXAGGSA-N 2 2 248.367 -0.468 20 0 BBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC000563153432 323095936 /nfs/dbraw/zinc/09/59/36/323095936.db2.gz STDXREJQCMJMEH-LLVKDONJSA-N 3 2 240.351 -0.817 20 0 BBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC000563153432 323095935 /nfs/dbraw/zinc/09/59/35/323095935.db2.gz STDXREJQCMJMEH-LLVKDONJSA-N 3 2 240.351 -0.817 20 0 BBADLP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H]([NH3+])C1 ZINC000563153459 323095893 /nfs/dbraw/zinc/09/58/93/323095893.db2.gz YZYUPIQAFXHNII-SECBINFHSA-N 2 2 243.307 -0.959 20 0 BBADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000563153459 323095892 /nfs/dbraw/zinc/09/58/92/323095892.db2.gz YZYUPIQAFXHNII-SECBINFHSA-N 2 2 243.307 -0.959 20 0 BBADLP CNS(=O)(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C)C1 ZINC000563155200 323095985 /nfs/dbraw/zinc/09/59/85/323095985.db2.gz AOLPCZVMXUKNHN-JTQLQIEISA-N 2 2 249.380 -0.391 20 0 BBADLP CNS(=O)(=O)[C@H]1CCC[N@H+](CCC[NH2+]C)C1 ZINC000563155200 323095984 /nfs/dbraw/zinc/09/59/84/323095984.db2.gz AOLPCZVMXUKNHN-JTQLQIEISA-N 2 2 249.380 -0.391 20 0 BBADLP CNS(=O)(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C)C1 ZINC000563155201 323095870 /nfs/dbraw/zinc/09/58/70/323095870.db2.gz AOLPCZVMXUKNHN-SNVBAGLBSA-N 2 2 249.380 -0.391 20 0 BBADLP CNS(=O)(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C)C1 ZINC000563155201 323095869 /nfs/dbraw/zinc/09/58/69/323095869.db2.gz AOLPCZVMXUKNHN-SNVBAGLBSA-N 2 2 249.380 -0.391 20 0 BBADLP C[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000563158624 323096831 /nfs/dbraw/zinc/09/68/31/323096831.db2.gz HAWUSCVBEIEWSI-LLVKDONJSA-N 2 2 242.367 -0.700 20 0 BBADLP C[NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000563158625 323096848 /nfs/dbraw/zinc/09/68/48/323096848.db2.gz HAWUSCVBEIEWSI-NSHDSACASA-N 2 2 242.367 -0.700 20 0 BBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000563159589 323097114 /nfs/dbraw/zinc/09/71/14/323097114.db2.gz FUYVAOLZPUHOFC-PHIMTYICSA-N 2 2 241.335 -0.486 20 0 BBADLP Cc1noc(CN2CC[NH+](CCC[NH3+])CC2)n1 ZINC000563214899 323102884 /nfs/dbraw/zinc/10/28/84/323102884.db2.gz JXAYMRZRBFBVKO-UHFFFAOYSA-N 2 2 239.323 -0.156 20 0 BBADLP FC(F)[C@@H]1C[NH2+]CCN1CC[NH+]1CCOCC1 ZINC000563214921 323102828 /nfs/dbraw/zinc/10/28/28/323102828.db2.gz KJCKUTJKPYHSHK-JTQLQIEISA-N 2 2 249.305 -0.143 20 0 BBADLP FC(F)[C@H]1C[NH2+]CCN1CC[NH+]1CCOCC1 ZINC000563214922 323102922 /nfs/dbraw/zinc/10/29/22/323102922.db2.gz KJCKUTJKPYHSHK-SNVBAGLBSA-N 2 2 249.305 -0.143 20 0 BBADLP CCN1CCC[N@@H+](C[C@](C)(O)C[NH2+]C)CC1=O ZINC000563269954 323107249 /nfs/dbraw/zinc/10/72/49/323107249.db2.gz SHFWBAXWSFZMGK-GFCCVEGCSA-N 2 2 243.351 -0.489 20 0 BBADLP CCN1CCC[N@H+](C[C@](C)(O)C[NH2+]C)CC1=O ZINC000563269954 323107248 /nfs/dbraw/zinc/10/72/48/323107248.db2.gz SHFWBAXWSFZMGK-GFCCVEGCSA-N 2 2 243.351 -0.489 20 0 BBADLP CCN1CCC[N@@H+](C[C@@](C)(O)C[NH2+]C)CC1=O ZINC000563269956 323107236 /nfs/dbraw/zinc/10/72/36/323107236.db2.gz SHFWBAXWSFZMGK-LBPRGKRZSA-N 2 2 243.351 -0.489 20 0 BBADLP CCN1CCC[N@H+](C[C@@](C)(O)C[NH2+]C)CC1=O ZINC000563269956 323107235 /nfs/dbraw/zinc/10/72/35/323107235.db2.gz SHFWBAXWSFZMGK-LBPRGKRZSA-N 2 2 243.351 -0.489 20 0 BBADLP CCS(=O)(=O)NCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000563347438 323119860 /nfs/dbraw/zinc/11/98/60/323119860.db2.gz AIHSNLOKHDCBOB-NXEZZACHSA-N 2 2 249.380 -0.263 20 0 BBADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000563347438 323119859 /nfs/dbraw/zinc/11/98/59/323119859.db2.gz AIHSNLOKHDCBOB-NXEZZACHSA-N 2 2 249.380 -0.263 20 0 BBADLP CCS(=O)(=O)NCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000563347439 323119905 /nfs/dbraw/zinc/11/99/05/323119905.db2.gz AIHSNLOKHDCBOB-UWVGGRQHSA-N 2 2 249.380 -0.263 20 0 BBADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000563347439 323119904 /nfs/dbraw/zinc/11/99/04/323119904.db2.gz AIHSNLOKHDCBOB-UWVGGRQHSA-N 2 2 249.380 -0.263 20 0 BBADLP CCS(=O)(=O)NCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000563347440 323119941 /nfs/dbraw/zinc/11/99/41/323119941.db2.gz AIHSNLOKHDCBOB-VHSXEESVSA-N 2 2 249.380 -0.263 20 0 BBADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000563347440 323119940 /nfs/dbraw/zinc/11/99/40/323119940.db2.gz AIHSNLOKHDCBOB-VHSXEESVSA-N 2 2 249.380 -0.263 20 0 BBADLP CCS(=O)(=O)NCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000563347441 323119848 /nfs/dbraw/zinc/11/98/48/323119848.db2.gz AIHSNLOKHDCBOB-ZJUUUORDSA-N 2 2 249.380 -0.263 20 0 BBADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000563347441 323119847 /nfs/dbraw/zinc/11/98/47/323119847.db2.gz AIHSNLOKHDCBOB-ZJUUUORDSA-N 2 2 249.380 -0.263 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000563366667 323121385 /nfs/dbraw/zinc/12/13/85/323121385.db2.gz SJTBAJCAPSGNEF-SECBINFHSA-N 2 2 229.324 -0.894 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000563366667 323121384 /nfs/dbraw/zinc/12/13/84/323121384.db2.gz SJTBAJCAPSGNEF-SECBINFHSA-N 2 2 229.324 -0.894 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000563366669 323121499 /nfs/dbraw/zinc/12/14/99/323121499.db2.gz SJTBAJCAPSGNEF-VIFPVBQESA-N 2 2 229.324 -0.894 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000563366669 323121498 /nfs/dbraw/zinc/12/14/98/323121498.db2.gz SJTBAJCAPSGNEF-VIFPVBQESA-N 2 2 229.324 -0.894 20 0 BBADLP Cc1[nH+]cc(C[NH2+]CC(=O)N(C)C)n1C ZINC000563441328 323126737 /nfs/dbraw/zinc/12/67/37/323126737.db2.gz QUJOWYCXELUYBL-UHFFFAOYSA-N 2 2 210.281 -0.094 20 0 BBADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000563453635 323127059 /nfs/dbraw/zinc/12/70/59/323127059.db2.gz KVLIQZCJRUHHLQ-QMMMGPOBSA-N 2 2 223.280 -0.087 20 0 BBADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000563453635 323127058 /nfs/dbraw/zinc/12/70/58/323127058.db2.gz KVLIQZCJRUHHLQ-QMMMGPOBSA-N 2 2 223.280 -0.087 20 0 BBADLP [NH3+]CC(F)(F)CNC(=O)CC(F)(F)C[NH3+] ZINC000563543836 323129663 /nfs/dbraw/zinc/12/96/63/323129663.db2.gz SBVWVMIQUIQOTG-UHFFFAOYSA-N 2 2 231.193 -0.319 20 0 BBADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2cscn2)C[C@H]1[NH3+] ZINC000563810868 323178480 /nfs/dbraw/zinc/17/84/80/323178480.db2.gz YFVKSNGOSYZGDN-BHNWBGBOSA-N 2 2 240.332 -0.052 20 0 BBADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])c2cscn2)C[C@@H]1[NH3+] ZINC000563810871 323178428 /nfs/dbraw/zinc/17/84/28/323178428.db2.gz YFVKSNGOSYZGDN-BKPPORCPSA-N 2 2 240.332 -0.052 20 0 BBADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2cscn2)C[C@@H]1[NH3+] ZINC000563810900 323178538 /nfs/dbraw/zinc/17/85/38/323178538.db2.gz YFVKSNGOSYZGDN-FJXKBIBVSA-N 2 2 240.332 -0.052 20 0 BBADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])c2cscn2)C[C@H]1[NH3+] ZINC000563810901 323178519 /nfs/dbraw/zinc/17/85/19/323178519.db2.gz YFVKSNGOSYZGDN-ZXFLCMHBSA-N 2 2 240.332 -0.052 20 0 BBADLP Cc1nc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc[nH+]1 ZINC000563820971 323179122 /nfs/dbraw/zinc/17/91/22/323179122.db2.gz MPMQVHQPJFSHAQ-NXEZZACHSA-N 2 2 247.302 -0.467 20 0 BBADLP Cc1nc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc[nH+]1 ZINC000563820972 323179245 /nfs/dbraw/zinc/17/92/45/323179245.db2.gz MPMQVHQPJFSHAQ-UWVGGRQHSA-N 2 2 247.302 -0.467 20 0 BBADLP Cc1nc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc[nH+]1 ZINC000563820979 323179153 /nfs/dbraw/zinc/17/91/53/323179153.db2.gz MPMQVHQPJFSHAQ-VHSXEESVSA-N 2 2 247.302 -0.467 20 0 BBADLP Cc1nc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc[nH+]1 ZINC000563820980 323179209 /nfs/dbraw/zinc/17/92/09/323179209.db2.gz MPMQVHQPJFSHAQ-ZJUUUORDSA-N 2 2 247.302 -0.467 20 0 BBADLP O=C1NCC[C@H]1[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000563825755 323179714 /nfs/dbraw/zinc/17/97/14/323179714.db2.gz NLLDLEYVWKXTAA-SECBINFHSA-N 2 2 235.291 -0.580 20 0 BBADLP O=C1NCC[C@@H]1[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000563825758 323179769 /nfs/dbraw/zinc/17/97/69/323179769.db2.gz NLLDLEYVWKXTAA-VIFPVBQESA-N 2 2 235.291 -0.580 20 0 BBADLP Cn1c[nH+]cc1CNC(=O)NCC[NH+]1CCC1 ZINC000563845519 323180552 /nfs/dbraw/zinc/18/05/52/323180552.db2.gz AFURYZLSNSSVSD-UHFFFAOYSA-N 2 2 237.307 -0.075 20 0 BBADLP C[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000563887892 323183396 /nfs/dbraw/zinc/18/33/96/323183396.db2.gz KKLXINYVIZXZSA-DDHJBXDOSA-N 2 2 246.351 -0.573 20 0 BBADLP C[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000563887896 323183387 /nfs/dbraw/zinc/18/33/87/323183387.db2.gz KKLXINYVIZXZSA-KKOKHZNYSA-N 2 2 246.351 -0.573 20 0 BBADLP C[C@@H](O)C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000563887898 323183394 /nfs/dbraw/zinc/18/33/94/323183394.db2.gz KKLXINYVIZXZSA-WISYIIOYSA-N 2 2 246.351 -0.573 20 0 BBADLP C[C@@H](O)C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000563887898 323183393 /nfs/dbraw/zinc/18/33/93/323183393.db2.gz KKLXINYVIZXZSA-WISYIIOYSA-N 2 2 246.351 -0.573 20 0 BBADLP C[C@@H](O)C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000563887900 323183412 /nfs/dbraw/zinc/18/34/12/323183412.db2.gz KKLXINYVIZXZSA-WYUUTHIRSA-N 2 2 246.351 -0.573 20 0 BBADLP C[C@@H](O)C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000563887900 323183411 /nfs/dbraw/zinc/18/34/11/323183411.db2.gz KKLXINYVIZXZSA-WYUUTHIRSA-N 2 2 246.351 -0.573 20 0 BBADLP C[C@@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000563894660 323198836 /nfs/dbraw/zinc/19/88/36/323198836.db2.gz MDRRUEAXEANLSX-SECBINFHSA-N 2 2 210.281 -0.088 20 0 BBADLP C[C@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000563894666 323198854 /nfs/dbraw/zinc/19/88/54/323198854.db2.gz MDRRUEAXEANLSX-VIFPVBQESA-N 2 2 210.281 -0.088 20 0 BBADLP CN(CCC[NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000563898119 323206488 /nfs/dbraw/zinc/20/64/88/323206488.db2.gz BCPQFGIMEUCBSM-UHFFFAOYSA-N 2 2 225.296 -0.127 20 0 BBADLP C[C@@H]1C[C@@H](C[N@H+]2CCN(C)C[C@@H]2C[NH3+])CC[NH2+]1 ZINC000563958557 323331999 /nfs/dbraw/zinc/33/19/99/323331999.db2.gz WTSXOSIDHYONPJ-AGIUHOORSA-N 3 2 240.395 -0.051 20 0 BBADLP C[C@@H]1C[C@@H](C[N@@H+]2CCN(C)C[C@@H]2C[NH3+])CC[NH2+]1 ZINC000563958557 323331996 /nfs/dbraw/zinc/33/19/96/323331996.db2.gz WTSXOSIDHYONPJ-AGIUHOORSA-N 3 2 240.395 -0.051 20 0 BBADLP C[C@@H]1C[C@@H](CN2CC[N@@H+](C)C[C@@H]2C[NH3+])CC[NH2+]1 ZINC000563958557 323331995 /nfs/dbraw/zinc/33/19/95/323331995.db2.gz WTSXOSIDHYONPJ-AGIUHOORSA-N 3 2 240.395 -0.051 20 0 BBADLP C[C@@H]1C[C@@H](CN2CC[N@H+](C)C[C@@H]2C[NH3+])CC[NH2+]1 ZINC000563958557 323331992 /nfs/dbraw/zinc/33/19/92/323331992.db2.gz WTSXOSIDHYONPJ-AGIUHOORSA-N 3 2 240.395 -0.051 20 0 BBADLP C[C@@H]1C[C@@H](C[N@H+]2CCN(C)C[C@H]2C[NH3+])CC[NH2+]1 ZINC000563958558 323331335 /nfs/dbraw/zinc/33/13/35/323331335.db2.gz WTSXOSIDHYONPJ-FRRDWIJNSA-N 3 2 240.395 -0.051 20 0 BBADLP C[C@@H]1C[C@@H](C[N@@H+]2CCN(C)C[C@H]2C[NH3+])CC[NH2+]1 ZINC000563958558 323331333 /nfs/dbraw/zinc/33/13/33/323331333.db2.gz WTSXOSIDHYONPJ-FRRDWIJNSA-N 3 2 240.395 -0.051 20 0 BBADLP C[C@@H]1C[C@@H](CN2CC[N@@H+](C)C[C@H]2C[NH3+])CC[NH2+]1 ZINC000563958558 323331327 /nfs/dbraw/zinc/33/13/27/323331327.db2.gz WTSXOSIDHYONPJ-FRRDWIJNSA-N 3 2 240.395 -0.051 20 0 BBADLP C[C@@H]1C[C@@H](CN2CC[N@H+](C)C[C@H]2C[NH3+])CC[NH2+]1 ZINC000563958558 323331323 /nfs/dbraw/zinc/33/13/23/323331323.db2.gz WTSXOSIDHYONPJ-FRRDWIJNSA-N 3 2 240.395 -0.051 20 0 BBADLP C[C@@H]1C[C@H](C[N@H+]2CCN(C)C[C@H]2C[NH3+])CC[NH2+]1 ZINC000563958559 323331674 /nfs/dbraw/zinc/33/16/74/323331674.db2.gz WTSXOSIDHYONPJ-JHJVBQTASA-N 3 2 240.395 -0.051 20 0 BBADLP C[C@@H]1C[C@H](C[N@@H+]2CCN(C)C[C@H]2C[NH3+])CC[NH2+]1 ZINC000563958559 323331670 /nfs/dbraw/zinc/33/16/70/323331670.db2.gz WTSXOSIDHYONPJ-JHJVBQTASA-N 3 2 240.395 -0.051 20 0 BBADLP C[C@@H]1C[C@H](CN2CC[N@@H+](C)C[C@H]2C[NH3+])CC[NH2+]1 ZINC000563958559 323331667 /nfs/dbraw/zinc/33/16/67/323331667.db2.gz WTSXOSIDHYONPJ-JHJVBQTASA-N 3 2 240.395 -0.051 20 0 BBADLP C[C@@H]1C[C@H](CN2CC[N@H+](C)C[C@H]2C[NH3+])CC[NH2+]1 ZINC000563958559 323331664 /nfs/dbraw/zinc/33/16/64/323331664.db2.gz WTSXOSIDHYONPJ-JHJVBQTASA-N 3 2 240.395 -0.051 20 0 BBADLP C[C@@H]1C[C@H](C[N@H+]2CCN(C)C[C@@H]2C[NH3+])CC[NH2+]1 ZINC000563958560 323331982 /nfs/dbraw/zinc/33/19/82/323331982.db2.gz WTSXOSIDHYONPJ-UPJWGTAASA-N 3 2 240.395 -0.051 20 0 BBADLP C[C@@H]1C[C@H](C[N@@H+]2CCN(C)C[C@@H]2C[NH3+])CC[NH2+]1 ZINC000563958560 323331980 /nfs/dbraw/zinc/33/19/80/323331980.db2.gz WTSXOSIDHYONPJ-UPJWGTAASA-N 3 2 240.395 -0.051 20 0 BBADLP C[C@@H]1C[C@H](CN2CC[N@@H+](C)C[C@@H]2C[NH3+])CC[NH2+]1 ZINC000563958560 323331977 /nfs/dbraw/zinc/33/19/77/323331977.db2.gz WTSXOSIDHYONPJ-UPJWGTAASA-N 3 2 240.395 -0.051 20 0 BBADLP C[C@@H]1C[C@H](CN2CC[N@H+](C)C[C@@H]2C[NH3+])CC[NH2+]1 ZINC000563958560 323331974 /nfs/dbraw/zinc/33/19/74/323331974.db2.gz WTSXOSIDHYONPJ-UPJWGTAASA-N 3 2 240.395 -0.051 20 0 BBADLP Cc1c[nH+]c(C)nc1N1CC[NH2+][C@@H](C(N)=O)C1 ZINC000563976519 323337931 /nfs/dbraw/zinc/33/79/31/323337931.db2.gz QEQOSBLJIYKSLA-SECBINFHSA-N 2 2 235.291 -0.643 20 0 BBADLP Cc1c[nH+]c(C)nc1N1CC[NH2+][C@H](C(N)=O)C1 ZINC000563976520 323338116 /nfs/dbraw/zinc/33/81/16/323338116.db2.gz QEQOSBLJIYKSLA-VIFPVBQESA-N 2 2 235.291 -0.643 20 0 BBADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]CCC(N)=O)C1 ZINC000564110177 398103301 /nfs/dbraw/zinc/10/33/01/398103301.db2.gz OCKHYUMOUOAGQM-LLVKDONJSA-N 2 2 243.351 -0.192 20 0 BBADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]CCC(N)=O)C1 ZINC000564110177 398103297 /nfs/dbraw/zinc/10/32/97/398103297.db2.gz OCKHYUMOUOAGQM-LLVKDONJSA-N 2 2 243.351 -0.192 20 0 BBADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]CCC(N)=O)C1 ZINC000564110178 398102636 /nfs/dbraw/zinc/10/26/36/398102636.db2.gz OCKHYUMOUOAGQM-NSHDSACASA-N 2 2 243.351 -0.192 20 0 BBADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]CCC(N)=O)C1 ZINC000564110178 398102632 /nfs/dbraw/zinc/10/26/32/398102632.db2.gz OCKHYUMOUOAGQM-NSHDSACASA-N 2 2 243.351 -0.192 20 0 BBADLP Nc1nsc(N2CC[NH+](CCC[NH3+])CC2)n1 ZINC000564333088 411976512 /nfs/dbraw/zinc/97/65/12/411976512.db2.gz BGHMYUAADUJUSO-UHFFFAOYSA-N 2 2 242.352 -0.409 20 0 BBADLP C[NH+](C)[C@H]1CN(CCCn2cc[nH+]c2)C[C@@H]1O ZINC000564344819 388524267 /nfs/dbraw/zinc/52/42/67/388524267.db2.gz ZCPRSHZPRDYGEL-RYUDHWBXSA-N 2 2 238.335 -0.120 20 0 BBADLP COC(=O)CCNC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000564656770 388882153 /nfs/dbraw/zinc/88/21/53/388882153.db2.gz GPUOMYYDVIAIHS-UHFFFAOYSA-N 2 2 243.307 -0.913 20 0 BBADLP COC(=O)CCNC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000564656770 388882151 /nfs/dbraw/zinc/88/21/51/388882151.db2.gz GPUOMYYDVIAIHS-UHFFFAOYSA-N 2 2 243.307 -0.913 20 0 BBADLP COCC[N@H+]1CCC[C@H]1C[NH2+]CCC(N)=O ZINC000564844747 388892857 /nfs/dbraw/zinc/89/28/57/388892857.db2.gz LZUDZTXDCMZFNQ-JTQLQIEISA-N 2 2 229.324 -0.438 20 0 BBADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]CCC(N)=O ZINC000564844747 388892853 /nfs/dbraw/zinc/89/28/53/388892853.db2.gz LZUDZTXDCMZFNQ-JTQLQIEISA-N 2 2 229.324 -0.438 20 0 BBADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]CCC(N)=O ZINC000564844748 388893313 /nfs/dbraw/zinc/89/33/13/388893313.db2.gz LZUDZTXDCMZFNQ-SNVBAGLBSA-N 2 2 229.324 -0.438 20 0 BBADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]CCC(N)=O ZINC000564844748 388893312 /nfs/dbraw/zinc/89/33/12/388893312.db2.gz LZUDZTXDCMZFNQ-SNVBAGLBSA-N 2 2 229.324 -0.438 20 0 BBADLP CCCC[N@@H+](C)CC[NH2+]CCC(=O)NC(N)=O ZINC000564856504 388895208 /nfs/dbraw/zinc/89/52/08/388895208.db2.gz WSBRPIDJIBOKJS-UHFFFAOYSA-N 2 2 244.339 -0.107 20 0 BBADLP CCCC[N@H+](C)CC[NH2+]CCC(=O)NC(N)=O ZINC000564856504 388895204 /nfs/dbraw/zinc/89/52/04/388895204.db2.gz WSBRPIDJIBOKJS-UHFFFAOYSA-N 2 2 244.339 -0.107 20 0 BBADLP COc1cc(C)[nH+]c(Cn2nnnc2C[NH3+])c1 ZINC000564926048 325827157 /nfs/dbraw/zinc/82/71/57/325827157.db2.gz ISOZDZYQNYIKMF-UHFFFAOYSA-N 2 2 234.263 -0.108 20 0 BBADLP Cc1cc[nH+]cc1Cn1nnnc1C[NH3+] ZINC000564927392 322961924 /nfs/dbraw/zinc/96/19/24/322961924.db2.gz WPKJDPKQQPXPAH-UHFFFAOYSA-N 2 2 204.237 -0.116 20 0 BBADLP CO[C@@H]1COC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000564927996 388898951 /nfs/dbraw/zinc/89/89/51/388898951.db2.gz DLTBAUHHRIWRCP-NXEZZACHSA-N 2 2 211.265 -0.114 20 0 BBADLP C[N@H+]1CCN(C(=O)c2cccc(N)c2)[C@H](C[NH3+])C1 ZINC000564944023 388899696 /nfs/dbraw/zinc/89/96/96/388899696.db2.gz GAVNWMJIZNNQKZ-GFCCVEGCSA-N 2 2 248.330 -0.016 20 0 BBADLP C[N@@H+]1CCN(C(=O)c2cccc(N)c2)[C@H](C[NH3+])C1 ZINC000564944023 388899693 /nfs/dbraw/zinc/89/96/93/388899693.db2.gz GAVNWMJIZNNQKZ-GFCCVEGCSA-N 2 2 248.330 -0.016 20 0 BBADLP C[N@H+]1CCN(C(=O)c2cccc(N)c2)[C@@H](C[NH3+])C1 ZINC000564944024 388899821 /nfs/dbraw/zinc/89/98/21/388899821.db2.gz GAVNWMJIZNNQKZ-LBPRGKRZSA-N 2 2 248.330 -0.016 20 0 BBADLP C[N@@H+]1CCN(C(=O)c2cccc(N)c2)[C@@H](C[NH3+])C1 ZINC000564944024 388899817 /nfs/dbraw/zinc/89/98/17/388899817.db2.gz GAVNWMJIZNNQKZ-LBPRGKRZSA-N 2 2 248.330 -0.016 20 0 BBADLP C[N@H+]1CCN(C(=O)Cc2cc[nH]n2)[C@@H](C[NH3+])C1 ZINC000564944378 388900025 /nfs/dbraw/zinc/90/00/25/388900025.db2.gz OGMOZHMAMBZUQX-JTQLQIEISA-N 2 2 237.307 -0.947 20 0 BBADLP C[N@@H+]1CCN(C(=O)Cc2cc[nH]n2)[C@@H](C[NH3+])C1 ZINC000564944378 388900023 /nfs/dbraw/zinc/90/00/23/388900023.db2.gz OGMOZHMAMBZUQX-JTQLQIEISA-N 2 2 237.307 -0.947 20 0 BBADLP C[N@H+]1CCN(C(=O)Cc2cc[nH]n2)[C@H](C[NH3+])C1 ZINC000564944380 388900313 /nfs/dbraw/zinc/90/03/13/388900313.db2.gz OGMOZHMAMBZUQX-SNVBAGLBSA-N 2 2 237.307 -0.947 20 0 BBADLP C[N@@H+]1CCN(C(=O)Cc2cc[nH]n2)[C@H](C[NH3+])C1 ZINC000564944380 388900310 /nfs/dbraw/zinc/90/03/10/388900310.db2.gz OGMOZHMAMBZUQX-SNVBAGLBSA-N 2 2 237.307 -0.947 20 0 BBADLP [NH3+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000564945817 325831564 /nfs/dbraw/zinc/83/15/64/325831564.db2.gz DCPUIOJPXYLXIS-UHFFFAOYSA-N 2 2 246.274 -0.259 20 0 BBADLP C[C@H](C[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000564950862 385096100 /nfs/dbraw/zinc/09/61/00/385096100.db2.gz YLZOARDCOGJKQN-MRVPVSSYSA-N 2 2 246.274 -0.261 20 0 BBADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1cnc(N)s1 ZINC000564970045 411896602 /nfs/dbraw/zinc/89/66/02/411896602.db2.gz HZNVFLVBPGQWRX-MRVPVSSYSA-N 2 2 241.364 -0.282 20 0 BBADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1cnc(N)s1 ZINC000564970066 411897124 /nfs/dbraw/zinc/89/71/24/411897124.db2.gz HZNVFLVBPGQWRX-QMMMGPOBSA-N 2 2 241.364 -0.282 20 0 BBADLP C[C@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000564975934 388903818 /nfs/dbraw/zinc/90/38/18/388903818.db2.gz OIAYPOPAIONAOX-QWRGUYRKSA-N 2 2 216.325 -0.196 20 0 BBADLP C[C@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000564975934 388903816 /nfs/dbraw/zinc/90/38/16/388903816.db2.gz OIAYPOPAIONAOX-QWRGUYRKSA-N 2 2 216.325 -0.196 20 0 BBADLP C[C@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000564975935 388904426 /nfs/dbraw/zinc/90/44/26/388904426.db2.gz OIAYPOPAIONAOX-WDEREUQCSA-N 2 2 216.325 -0.196 20 0 BBADLP C[C@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000564975935 388904424 /nfs/dbraw/zinc/90/44/24/388904424.db2.gz OIAYPOPAIONAOX-WDEREUQCSA-N 2 2 216.325 -0.196 20 0 BBADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000564977748 384131993 /nfs/dbraw/zinc/13/19/93/384131993.db2.gz IQPAOJBLDIOVED-HTQZYQBOSA-N 2 2 244.257 -0.188 20 0 BBADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000564977751 384131428 /nfs/dbraw/zinc/13/14/28/384131428.db2.gz IQPAOJBLDIOVED-JGVFFNPUSA-N 2 2 244.257 -0.188 20 0 BBADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000564977753 384129936 /nfs/dbraw/zinc/12/99/36/384129936.db2.gz IQPAOJBLDIOVED-SFYZADRCSA-N 2 2 244.257 -0.188 20 0 BBADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000564977756 384129960 /nfs/dbraw/zinc/12/99/60/384129960.db2.gz IQPAOJBLDIOVED-YUMQZZPRSA-N 2 2 244.257 -0.188 20 0 BBADLP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(N)[nH+]c1 ZINC000564980804 411909032 /nfs/dbraw/zinc/90/90/32/411909032.db2.gz CXHDQWKIMRHTJY-ZETCQYMHSA-N 2 2 238.247 -0.507 20 0 BBADLP C[C@H]1C[N@@H+](CCN2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000564986486 384301978 /nfs/dbraw/zinc/30/19/78/384301978.db2.gz PSZSTTCBTUJXLO-RWMBFGLXSA-N 2 2 239.363 -0.142 20 0 BBADLP C[C@H]1C[N@H+](CCN2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000564986486 384301973 /nfs/dbraw/zinc/30/19/73/384301973.db2.gz PSZSTTCBTUJXLO-RWMBFGLXSA-N 2 2 239.363 -0.142 20 0 BBADLP C[C@@H]1C[N@@H+](CCN2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000564986488 384300889 /nfs/dbraw/zinc/30/08/89/384300889.db2.gz PSZSTTCBTUJXLO-UPJWGTAASA-N 2 2 239.363 -0.142 20 0 BBADLP C[C@@H]1C[N@H+](CCN2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000564986488 384300882 /nfs/dbraw/zinc/30/08/82/384300882.db2.gz PSZSTTCBTUJXLO-UPJWGTAASA-N 2 2 239.363 -0.142 20 0 BBADLP C[C@H](C[NH3+])[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000564989303 388905051 /nfs/dbraw/zinc/90/50/51/388905051.db2.gz HPKUCZPIHOSDPX-LLVKDONJSA-N 3 2 242.367 -0.571 20 0 BBADLP C[C@H](C[NH3+])[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000564989303 388905048 /nfs/dbraw/zinc/90/50/48/388905048.db2.gz HPKUCZPIHOSDPX-LLVKDONJSA-N 3 2 242.367 -0.571 20 0 BBADLP C[C@@H](C[NH3+])[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000564989306 388904985 /nfs/dbraw/zinc/90/49/85/388904985.db2.gz HPKUCZPIHOSDPX-NSHDSACASA-N 3 2 242.367 -0.571 20 0 BBADLP C[C@@H](C[NH3+])[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000564989306 388904981 /nfs/dbraw/zinc/90/49/81/388904981.db2.gz HPKUCZPIHOSDPX-NSHDSACASA-N 3 2 242.367 -0.571 20 0 BBADLP C(C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21)N1CC[NH2+]CC1 ZINC000564989597 388905787 /nfs/dbraw/zinc/90/57/87/388905787.db2.gz SUJFXNFXEKUFSE-QWHCGFSZSA-N 3 2 238.379 -0.425 20 0 BBADLP C(C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21)N1CC[NH2+]CC1 ZINC000564989597 388905785 /nfs/dbraw/zinc/90/57/85/388905785.db2.gz SUJFXNFXEKUFSE-QWHCGFSZSA-N 3 2 238.379 -0.425 20 0 BBADLP C(C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]CC1 ZINC000564989846 388907110 /nfs/dbraw/zinc/90/71/10/388907110.db2.gz ODHRPOCEYCUMIT-OLZOCXBDSA-N 3 2 238.379 -0.282 20 0 BBADLP C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]CC1 ZINC000564989846 388907109 /nfs/dbraw/zinc/90/71/09/388907109.db2.gz ODHRPOCEYCUMIT-OLZOCXBDSA-N 3 2 238.379 -0.282 20 0 BBADLP COC(=O)CC[N@H+]1CCN(C(=O)C[NH3+])C[C@H]1C ZINC000564992540 388906970 /nfs/dbraw/zinc/90/69/70/388906970.db2.gz NSKBFOCZBWOHJS-SECBINFHSA-N 2 2 243.307 -0.959 20 0 BBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C[NH3+])C[C@H]1C ZINC000564992540 388906965 /nfs/dbraw/zinc/90/69/65/388906965.db2.gz NSKBFOCZBWOHJS-SECBINFHSA-N 2 2 243.307 -0.959 20 0 BBADLP COC(=O)CC[N@H+]1CCN(C(=O)C[NH3+])C[C@@H]1C ZINC000564992541 388906865 /nfs/dbraw/zinc/90/68/65/388906865.db2.gz NSKBFOCZBWOHJS-VIFPVBQESA-N 2 2 243.307 -0.959 20 0 BBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C[NH3+])C[C@@H]1C ZINC000564992541 388906862 /nfs/dbraw/zinc/90/68/62/388906862.db2.gz NSKBFOCZBWOHJS-VIFPVBQESA-N 2 2 243.307 -0.959 20 0 BBADLP CC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000565028334 388909998 /nfs/dbraw/zinc/90/99/98/388909998.db2.gz DZDZNBBXVJBMNO-NXEZZACHSA-N 2 2 229.324 -0.439 20 0 BBADLP CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000565028334 388909996 /nfs/dbraw/zinc/90/99/96/388909996.db2.gz DZDZNBBXVJBMNO-NXEZZACHSA-N 2 2 229.324 -0.439 20 0 BBADLP CC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000565028335 388909479 /nfs/dbraw/zinc/90/94/79/388909479.db2.gz DZDZNBBXVJBMNO-VHSXEESVSA-N 2 2 229.324 -0.439 20 0 BBADLP CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000565028335 388909474 /nfs/dbraw/zinc/90/94/74/388909474.db2.gz DZDZNBBXVJBMNO-VHSXEESVSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000565029440 388909266 /nfs/dbraw/zinc/90/92/66/388909266.db2.gz XOMPIORGLOPUFT-GARJFASQSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000565029440 388909263 /nfs/dbraw/zinc/90/92/63/388909263.db2.gz XOMPIORGLOPUFT-GARJFASQSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000565029441 388910125 /nfs/dbraw/zinc/91/01/25/388910125.db2.gz XOMPIORGLOPUFT-MXWKQRLJSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000565029441 388910122 /nfs/dbraw/zinc/91/01/22/388910122.db2.gz XOMPIORGLOPUFT-MXWKQRLJSA-N 2 2 241.335 -0.439 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000565095816 388914286 /nfs/dbraw/zinc/91/42/86/388914286.db2.gz TXDKSTAQGMEGAM-AXFHLTTASA-N 3 2 215.341 -0.374 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000565095816 388914282 /nfs/dbraw/zinc/91/42/82/388914282.db2.gz TXDKSTAQGMEGAM-AXFHLTTASA-N 3 2 215.341 -0.374 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000565095817 388915396 /nfs/dbraw/zinc/91/53/96/388915396.db2.gz TXDKSTAQGMEGAM-DCAQKATOSA-N 3 2 215.341 -0.374 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000565095817 388915394 /nfs/dbraw/zinc/91/53/94/388915394.db2.gz TXDKSTAQGMEGAM-DCAQKATOSA-N 3 2 215.341 -0.374 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000565095818 388914293 /nfs/dbraw/zinc/91/42/93/388914293.db2.gz TXDKSTAQGMEGAM-MXWKQRLJSA-N 3 2 215.341 -0.374 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000565095818 388914291 /nfs/dbraw/zinc/91/42/91/388914291.db2.gz TXDKSTAQGMEGAM-MXWKQRLJSA-N 3 2 215.341 -0.374 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000565095819 388913426 /nfs/dbraw/zinc/91/34/26/388913426.db2.gz TXDKSTAQGMEGAM-VWYCJHECSA-N 3 2 215.341 -0.374 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000565095819 388913422 /nfs/dbraw/zinc/91/34/22/388913422.db2.gz TXDKSTAQGMEGAM-VWYCJHECSA-N 3 2 215.341 -0.374 20 0 BBADLP CCNC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000565157506 388919274 /nfs/dbraw/zinc/91/92/74/388919274.db2.gz PDIGDZGSDIQGPY-UHFFFAOYSA-N 2 2 237.307 -0.332 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1COC[C@@H]1OC ZINC000565173605 388921613 /nfs/dbraw/zinc/92/16/13/388921613.db2.gz OEDNPWJFVCFHNW-AXFHLTTASA-N 2 2 232.324 -0.698 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1COC[C@@H]1OC ZINC000565173605 388921610 /nfs/dbraw/zinc/92/16/10/388921610.db2.gz OEDNPWJFVCFHNW-AXFHLTTASA-N 2 2 232.324 -0.698 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1COC[C@@H]1OC ZINC000565173609 388922096 /nfs/dbraw/zinc/92/20/96/388922096.db2.gz OEDNPWJFVCFHNW-MXWKQRLJSA-N 2 2 232.324 -0.698 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1COC[C@@H]1OC ZINC000565173609 388922095 /nfs/dbraw/zinc/92/20/95/388922095.db2.gz OEDNPWJFVCFHNW-MXWKQRLJSA-N 2 2 232.324 -0.698 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(CC(=O)OC)CC1 ZINC000565174341 388921398 /nfs/dbraw/zinc/92/13/98/388921398.db2.gz QAMZGBQGCMCWAZ-JTQLQIEISA-N 2 2 244.335 -0.016 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(CC(=O)OC)CC1 ZINC000565174341 388921396 /nfs/dbraw/zinc/92/13/96/388921396.db2.gz QAMZGBQGCMCWAZ-JTQLQIEISA-N 2 2 244.335 -0.016 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(CC(=O)OC)CC1 ZINC000565174344 388922120 /nfs/dbraw/zinc/92/21/20/388922120.db2.gz QAMZGBQGCMCWAZ-SNVBAGLBSA-N 2 2 244.335 -0.016 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH2+]C1(CC(=O)OC)CC1 ZINC000565174344 388922117 /nfs/dbraw/zinc/92/21/17/388922117.db2.gz QAMZGBQGCMCWAZ-SNVBAGLBSA-N 2 2 244.335 -0.016 20 0 BBADLP Cc1c[nH+]c(C)nc1NC[C@]1(O)CC[N@H+](C)C1 ZINC000565227732 411737338 /nfs/dbraw/zinc/73/73/38/411737338.db2.gz APLBCVYOYBUUPO-GFCCVEGCSA-N 2 2 236.319 0.572 20 0 BBADLP Cc1c[nH+]c(C)nc1NC[C@]1(O)CC[N@@H+](C)C1 ZINC000565227732 411737337 /nfs/dbraw/zinc/73/73/37/411737337.db2.gz APLBCVYOYBUUPO-GFCCVEGCSA-N 2 2 236.319 0.572 20 0 BBADLP Cc1c[nH+]c(C)nc1NC[C@@]1(O)CC[N@H+](C)C1 ZINC000565227734 411736801 /nfs/dbraw/zinc/73/68/01/411736801.db2.gz APLBCVYOYBUUPO-LBPRGKRZSA-N 2 2 236.319 0.572 20 0 BBADLP Cc1c[nH+]c(C)nc1NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000565227734 411736798 /nfs/dbraw/zinc/73/67/98/411736798.db2.gz APLBCVYOYBUUPO-LBPRGKRZSA-N 2 2 236.319 0.572 20 0 BBADLP Cc1[nH+]cc(C[NH2+][C@@H]2COC[C@H]2O)n1C ZINC000565243432 323039137 /nfs/dbraw/zinc/03/91/37/323039137.db2.gz YHJNIBYMHANNMW-NXEZZACHSA-N 2 2 211.265 -0.422 20 0 BBADLP CN(CC[NH+]1CCOCC1)C(=O)CCCC[NH3+] ZINC000565301963 388935657 /nfs/dbraw/zinc/93/56/57/388935657.db2.gz IWWHWQFVFJEZFC-UHFFFAOYSA-N 2 2 243.351 -0.094 20 0 BBADLP C[C@H]1CN(C(=O)[C@@H]([NH3+])c2cscn2)CC[NH2+]1 ZINC000565420471 388943474 /nfs/dbraw/zinc/94/34/74/388943474.db2.gz INYYSFKCBYVSLF-CBAPKCEASA-N 2 2 240.332 -0.037 20 0 BBADLP C[C@H]1CN(C(=O)[C@H]([NH3+])c2cscn2)CC[NH2+]1 ZINC000565420473 388943632 /nfs/dbraw/zinc/94/36/32/388943632.db2.gz INYYSFKCBYVSLF-IONNQARKSA-N 2 2 240.332 -0.037 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]1COC ZINC000565430383 388945064 /nfs/dbraw/zinc/94/50/64/388945064.db2.gz MQDFKAIYBDXYDF-NEPJUHHUSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]1COC ZINC000565430383 388945061 /nfs/dbraw/zinc/94/50/61/388945061.db2.gz MQDFKAIYBDXYDF-NEPJUHHUSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]1COC ZINC000565430383 388945057 /nfs/dbraw/zinc/94/50/57/388945057.db2.gz MQDFKAIYBDXYDF-NEPJUHHUSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H]1COC ZINC000565430385 388944496 /nfs/dbraw/zinc/94/44/96/388944496.db2.gz MQDFKAIYBDXYDF-NWDGAFQWSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H]1COC ZINC000565430385 388944494 /nfs/dbraw/zinc/94/44/94/388944494.db2.gz MQDFKAIYBDXYDF-NWDGAFQWSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H]1COC ZINC000565430385 388944491 /nfs/dbraw/zinc/94/44/91/388944491.db2.gz MQDFKAIYBDXYDF-NWDGAFQWSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]1COC ZINC000565430386 388945099 /nfs/dbraw/zinc/94/50/99/388945099.db2.gz MQDFKAIYBDXYDF-RYUDHWBXSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]1COC ZINC000565430386 388945096 /nfs/dbraw/zinc/94/50/96/388945096.db2.gz MQDFKAIYBDXYDF-RYUDHWBXSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]1COC ZINC000565430386 388945093 /nfs/dbraw/zinc/94/50/93/388945093.db2.gz MQDFKAIYBDXYDF-RYUDHWBXSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H]1COC ZINC000565430388 388944572 /nfs/dbraw/zinc/94/45/72/388944572.db2.gz MQDFKAIYBDXYDF-VXGBXAGGSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H]1COC ZINC000565430388 388944568 /nfs/dbraw/zinc/94/45/68/388944568.db2.gz MQDFKAIYBDXYDF-VXGBXAGGSA-N 2 2 246.351 -0.354 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]1COC ZINC000565430388 388944566 /nfs/dbraw/zinc/94/45/66/388944566.db2.gz MQDFKAIYBDXYDF-VXGBXAGGSA-N 2 2 246.351 -0.354 20 0 BBADLP C[N@H+]1CCC[C@H]1CC[NH2+][C@]1(C(N)=O)CCOC1 ZINC000565432273 388944414 /nfs/dbraw/zinc/94/44/14/388944414.db2.gz ZFIYSCHMBUQAMG-CMPLNLGQSA-N 2 2 241.335 -0.295 20 0 BBADLP C[N@@H+]1CCC[C@H]1CC[NH2+][C@]1(C(N)=O)CCOC1 ZINC000565432273 388944412 /nfs/dbraw/zinc/94/44/12/388944412.db2.gz ZFIYSCHMBUQAMG-CMPLNLGQSA-N 2 2 241.335 -0.295 20 0 BBADLP C[N@H+]1CCC[C@H]1CC[NH2+][C@@]1(C(N)=O)CCOC1 ZINC000565432276 388945022 /nfs/dbraw/zinc/94/50/22/388945022.db2.gz ZFIYSCHMBUQAMG-JQWIXIFHSA-N 2 2 241.335 -0.295 20 0 BBADLP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@]1(C(N)=O)CCOC1 ZINC000565432276 388945019 /nfs/dbraw/zinc/94/50/19/388945019.db2.gz ZFIYSCHMBUQAMG-JQWIXIFHSA-N 2 2 241.335 -0.295 20 0 BBADLP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@]1(C(N)=O)CCOC1 ZINC000565432278 388944592 /nfs/dbraw/zinc/94/45/92/388944592.db2.gz ZFIYSCHMBUQAMG-PWSUYJOCSA-N 2 2 241.335 -0.295 20 0 BBADLP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@]1(C(N)=O)CCOC1 ZINC000565432278 388944588 /nfs/dbraw/zinc/94/45/88/388944588.db2.gz ZFIYSCHMBUQAMG-PWSUYJOCSA-N 2 2 241.335 -0.295 20 0 BBADLP C[N@H+]1CCC[C@@H]1CC[NH2+][C@]1(C(N)=O)CCOC1 ZINC000565432279 388944757 /nfs/dbraw/zinc/94/47/57/388944757.db2.gz ZFIYSCHMBUQAMG-ZYHUDNBSSA-N 2 2 241.335 -0.295 20 0 BBADLP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@]1(C(N)=O)CCOC1 ZINC000565432279 388944753 /nfs/dbraw/zinc/94/47/53/388944753.db2.gz ZFIYSCHMBUQAMG-ZYHUDNBSSA-N 2 2 241.335 -0.295 20 0 BBADLP O=C(Cn1cc[nH+]c1)NCCn1cc[nH+]c1 ZINC000565572921 388954524 /nfs/dbraw/zinc/95/45/24/388954524.db2.gz CSOOFVVPIYCTBH-UHFFFAOYSA-N 2 2 219.248 -0.104 20 0 BBADLP CCN(CC)C(=O)C[N@@H+](C)C[C@](C)(O)C[NH2+]C ZINC000565721010 388966366 /nfs/dbraw/zinc/96/63/66/388966366.db2.gz KNSMMQBOANVQHT-GFCCVEGCSA-N 2 2 245.367 -0.243 20 0 BBADLP CCN(CC)C(=O)C[N@H+](C)C[C@](C)(O)C[NH2+]C ZINC000565721010 388966363 /nfs/dbraw/zinc/96/63/63/388966363.db2.gz KNSMMQBOANVQHT-GFCCVEGCSA-N 2 2 245.367 -0.243 20 0 BBADLP CCN(CC)C(=O)C[N@@H+](C)C[C@@](C)(O)C[NH2+]C ZINC000565721012 388965543 /nfs/dbraw/zinc/96/55/43/388965543.db2.gz KNSMMQBOANVQHT-LBPRGKRZSA-N 2 2 245.367 -0.243 20 0 BBADLP CCN(CC)C(=O)C[N@H+](C)C[C@@](C)(O)C[NH2+]C ZINC000565721012 388965540 /nfs/dbraw/zinc/96/55/40/388965540.db2.gz KNSMMQBOANVQHT-LBPRGKRZSA-N 2 2 245.367 -0.243 20 0 BBADLP C[C@H]1C[N@@H+](CCNC(=O)C2([NH3+])CCC2)CCO1 ZINC000565835600 388972657 /nfs/dbraw/zinc/97/26/57/388972657.db2.gz KCRAJJAJVQLIQJ-JTQLQIEISA-N 2 2 241.335 -0.295 20 0 BBADLP C[C@H]1C[N@H+](CCNC(=O)C2([NH3+])CCC2)CCO1 ZINC000565835600 388972655 /nfs/dbraw/zinc/97/26/55/388972655.db2.gz KCRAJJAJVQLIQJ-JTQLQIEISA-N 2 2 241.335 -0.295 20 0 BBADLP C[C@@H]1C[N@@H+](CCNC(=O)C2([NH3+])CCC2)CCO1 ZINC000565835603 388972238 /nfs/dbraw/zinc/97/22/38/388972238.db2.gz KCRAJJAJVQLIQJ-SNVBAGLBSA-N 2 2 241.335 -0.295 20 0 BBADLP C[C@@H]1C[N@H+](CCNC(=O)C2([NH3+])CCC2)CCO1 ZINC000565835603 388972233 /nfs/dbraw/zinc/97/22/33/388972233.db2.gz KCRAJJAJVQLIQJ-SNVBAGLBSA-N 2 2 241.335 -0.295 20 0 BBADLP [NH3+]CC1(CC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000565947510 364712062 /nfs/dbraw/zinc/71/20/62/364712062.db2.gz SEWWKKKZNOSRCS-UHFFFAOYSA-N 2 2 241.335 -0.436 20 0 BBADLP CNC(=O)[C@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000565963229 325979444 /nfs/dbraw/zinc/97/94/44/325979444.db2.gz SUYCHZKJOKEMEW-ZETCQYMHSA-N 2 2 210.281 -0.047 20 0 BBADLP CN(CC[NH+]1CCOCC1)C(=O)C(C)(C)C[NH3+] ZINC000566157634 326003700 /nfs/dbraw/zinc/00/37/00/326003700.db2.gz PDVWUWZFUPKAQV-UHFFFAOYSA-N 2 2 243.351 -0.238 20 0 BBADLP CC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000566179620 326007725 /nfs/dbraw/zinc/00/77/25/326007725.db2.gz REBQSLUDLHVZEL-NXEZZACHSA-N 2 2 229.324 -0.439 20 0 BBADLP CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000566179620 326007721 /nfs/dbraw/zinc/00/77/21/326007721.db2.gz REBQSLUDLHVZEL-NXEZZACHSA-N 2 2 229.324 -0.439 20 0 BBADLP CC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000566179625 326007996 /nfs/dbraw/zinc/00/79/96/326007996.db2.gz REBQSLUDLHVZEL-VHSXEESVSA-N 2 2 229.324 -0.439 20 0 BBADLP CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000566179625 326007994 /nfs/dbraw/zinc/00/79/94/326007994.db2.gz REBQSLUDLHVZEL-VHSXEESVSA-N 2 2 229.324 -0.439 20 0 BBADLP C[N@H+]1CCN(C(=O)Cc2cncnc2)[C@H](C[NH3+])C1 ZINC000566200653 326011552 /nfs/dbraw/zinc/01/15/52/326011552.db2.gz VLTBRAIRQUCHCC-LLVKDONJSA-N 2 2 249.318 -0.880 20 0 BBADLP C[N@@H+]1CCN(C(=O)Cc2cncnc2)[C@H](C[NH3+])C1 ZINC000566200653 326011549 /nfs/dbraw/zinc/01/15/49/326011549.db2.gz VLTBRAIRQUCHCC-LLVKDONJSA-N 2 2 249.318 -0.880 20 0 BBADLP C[N@H+]1CCN(C(=O)Cc2cncnc2)[C@@H](C[NH3+])C1 ZINC000566200656 326011576 /nfs/dbraw/zinc/01/15/76/326011576.db2.gz VLTBRAIRQUCHCC-NSHDSACASA-N 2 2 249.318 -0.880 20 0 BBADLP C[N@@H+]1CCN(C(=O)Cc2cncnc2)[C@@H](C[NH3+])C1 ZINC000566200656 326011573 /nfs/dbraw/zinc/01/15/73/326011573.db2.gz VLTBRAIRQUCHCC-NSHDSACASA-N 2 2 249.318 -0.880 20 0 BBADLP CC[C@@H](C)OCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000566200719 326011934 /nfs/dbraw/zinc/01/19/34/326011934.db2.gz XXSNDTVMTRJWPC-GHMZBOCLSA-N 2 2 243.351 -0.097 20 0 BBADLP CC[C@@H](C)OCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000566200719 326011930 /nfs/dbraw/zinc/01/19/30/326011930.db2.gz XXSNDTVMTRJWPC-GHMZBOCLSA-N 2 2 243.351 -0.097 20 0 BBADLP CC[C@@H](C)OCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000566200720 326011803 /nfs/dbraw/zinc/01/18/03/326011803.db2.gz XXSNDTVMTRJWPC-MNOVXSKESA-N 2 2 243.351 -0.097 20 0 BBADLP CC[C@@H](C)OCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000566200720 326011799 /nfs/dbraw/zinc/01/17/99/326011799.db2.gz XXSNDTVMTRJWPC-MNOVXSKESA-N 2 2 243.351 -0.097 20 0 BBADLP CC[C@H](C)OCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000566200721 326011610 /nfs/dbraw/zinc/01/16/10/326011610.db2.gz XXSNDTVMTRJWPC-QWRGUYRKSA-N 2 2 243.351 -0.097 20 0 BBADLP CC[C@H](C)OCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000566200721 326011608 /nfs/dbraw/zinc/01/16/08/326011608.db2.gz XXSNDTVMTRJWPC-QWRGUYRKSA-N 2 2 243.351 -0.097 20 0 BBADLP CC[C@H](C)OCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000566200722 326005535 /nfs/dbraw/zinc/00/55/35/326005535.db2.gz XXSNDTVMTRJWPC-WDEREUQCSA-N 2 2 243.351 -0.097 20 0 BBADLP CC[C@H](C)OCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000566200722 326005531 /nfs/dbraw/zinc/00/55/31/326005531.db2.gz XXSNDTVMTRJWPC-WDEREUQCSA-N 2 2 243.351 -0.097 20 0 BBADLP C[N@H+]1CCN(Cc2cnc(N)s2)[C@H](C[NH3+])C1 ZINC000566230572 411892873 /nfs/dbraw/zinc/89/28/73/411892873.db2.gz ZEPHIFZQWIUTEG-MRVPVSSYSA-N 2 2 241.364 -0.200 20 0 BBADLP C[N@@H+]1CCN(Cc2cnc(N)s2)[C@H](C[NH3+])C1 ZINC000566230572 411892869 /nfs/dbraw/zinc/89/28/69/411892869.db2.gz ZEPHIFZQWIUTEG-MRVPVSSYSA-N 2 2 241.364 -0.200 20 0 BBADLP C[N@H+]1CCN(Cc2cnc(N)s2)[C@@H](C[NH3+])C1 ZINC000566230573 411893847 /nfs/dbraw/zinc/89/38/47/411893847.db2.gz ZEPHIFZQWIUTEG-QMMMGPOBSA-N 2 2 241.364 -0.200 20 0 BBADLP C[N@@H+]1CCN(Cc2cnc(N)s2)[C@@H](C[NH3+])C1 ZINC000566230573 411893838 /nfs/dbraw/zinc/89/38/38/411893838.db2.gz ZEPHIFZQWIUTEG-QMMMGPOBSA-N 2 2 241.364 -0.200 20 0 BBADLP C[NH2+]CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000566230627 326019103 /nfs/dbraw/zinc/01/91/03/326019103.db2.gz TWOGFMNZGBGBRH-LLVKDONJSA-N 3 2 242.367 -0.665 20 0 BBADLP C[NH2+]CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000566230628 326018897 /nfs/dbraw/zinc/01/88/97/326018897.db2.gz TWOGFMNZGBGBRH-NSHDSACASA-N 3 2 242.367 -0.665 20 0 BBADLP Nc1ccc(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)c[nH+]1 ZINC000566236928 411975796 /nfs/dbraw/zinc/97/57/96/411975796.db2.gz FCGZOSJTOMEBNL-BDAKNGLRSA-N 2 2 236.275 0.109 20 0 BBADLP O=C1NCC[C@@H]1[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000566243828 326021895 /nfs/dbraw/zinc/02/18/95/326021895.db2.gz CYDZQHRWOIQFJK-GXSJLCMTSA-N 2 2 209.293 -0.440 20 0 BBADLP O=C1NCC[C@@H]1[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000566243828 326021891 /nfs/dbraw/zinc/02/18/91/326021891.db2.gz CYDZQHRWOIQFJK-GXSJLCMTSA-N 2 2 209.293 -0.440 20 0 BBADLP O=C1NCC[C@H]1[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000566243829 326022015 /nfs/dbraw/zinc/02/20/15/326022015.db2.gz CYDZQHRWOIQFJK-KOLCDFICSA-N 2 2 209.293 -0.440 20 0 BBADLP O=C1NCC[C@H]1[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000566243829 326022014 /nfs/dbraw/zinc/02/20/14/326022014.db2.gz CYDZQHRWOIQFJK-KOLCDFICSA-N 2 2 209.293 -0.440 20 0 BBADLP O=C1NCC[C@H]1[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000566243830 326022081 /nfs/dbraw/zinc/02/20/81/326022081.db2.gz CYDZQHRWOIQFJK-MWLCHTKSSA-N 2 2 209.293 -0.440 20 0 BBADLP O=C1NCC[C@H]1[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000566243830 326022078 /nfs/dbraw/zinc/02/20/78/326022078.db2.gz CYDZQHRWOIQFJK-MWLCHTKSSA-N 2 2 209.293 -0.440 20 0 BBADLP O=C1NCC[C@@H]1[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000566243831 326022067 /nfs/dbraw/zinc/02/20/67/326022067.db2.gz CYDZQHRWOIQFJK-ONGXEEELSA-N 2 2 209.293 -0.440 20 0 BBADLP O=C1NCC[C@@H]1[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000566243831 326022065 /nfs/dbraw/zinc/02/20/65/326022065.db2.gz CYDZQHRWOIQFJK-ONGXEEELSA-N 2 2 209.293 -0.440 20 0 BBADLP CCN(C)C(=O)CC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000566243889 326022027 /nfs/dbraw/zinc/02/20/27/326022027.db2.gz QDERXPKICPXUAH-JTQLQIEISA-N 2 2 229.324 -0.486 20 0 BBADLP CCN(C)C(=O)CC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000566243889 326022023 /nfs/dbraw/zinc/02/20/23/326022023.db2.gz QDERXPKICPXUAH-JTQLQIEISA-N 2 2 229.324 -0.486 20 0 BBADLP CCN(C)C(=O)CC[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000566243890 326021647 /nfs/dbraw/zinc/02/16/47/326021647.db2.gz QDERXPKICPXUAH-SNVBAGLBSA-N 2 2 229.324 -0.486 20 0 BBADLP CCN(C)C(=O)CC[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000566243890 326021644 /nfs/dbraw/zinc/02/16/44/326021644.db2.gz QDERXPKICPXUAH-SNVBAGLBSA-N 2 2 229.324 -0.486 20 0 BBADLP Cn1nnnc1C[NH+]1CCC(C[NH3+])CC1 ZINC000566244673 322979276 /nfs/dbraw/zinc/97/92/76/322979276.db2.gz QBRCLPYSWLORDK-UHFFFAOYSA-N 2 2 210.285 -0.619 20 0 BBADLP [NH3+]CC[NH+]1CCC(Cn2cncn2)CC1 ZINC000566245899 326022935 /nfs/dbraw/zinc/02/29/35/326022935.db2.gz YIRBFPQFAHRFRW-UHFFFAOYSA-N 2 2 209.297 -0.051 20 0 BBADLP Cn1cc[nH+]c1CN1CCN(C(=O)C[NH3+])CC1 ZINC000566251649 326024887 /nfs/dbraw/zinc/02/48/87/326024887.db2.gz SZTQPHUQOYEESS-UHFFFAOYSA-N 2 2 237.307 -0.977 20 0 BBADLP C[NH2+]CCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000566286385 326029151 /nfs/dbraw/zinc/02/91/51/326029151.db2.gz LCZVGYFKDICYSP-JTQLQIEISA-N 2 2 229.324 -0.567 20 0 BBADLP C[NH2+]CCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000566286385 326029148 /nfs/dbraw/zinc/02/91/48/326029148.db2.gz LCZVGYFKDICYSP-JTQLQIEISA-N 2 2 229.324 -0.567 20 0 BBADLP C[NH2+]CCC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000566286386 326028481 /nfs/dbraw/zinc/02/84/81/326028481.db2.gz LCZVGYFKDICYSP-SNVBAGLBSA-N 2 2 229.324 -0.567 20 0 BBADLP C[NH2+]CCC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000566286386 326028479 /nfs/dbraw/zinc/02/84/79/326028479.db2.gz LCZVGYFKDICYSP-SNVBAGLBSA-N 2 2 229.324 -0.567 20 0 BBADLP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CC(=O)NC3=O)C2)C1 ZINC000566412659 326041517 /nfs/dbraw/zinc/04/15/17/326041517.db2.gz IYAJTYJCRVITDD-BXKDBHETSA-N 2 2 237.303 -0.571 20 0 BBADLP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CC(=O)NC3=O)C2)C1 ZINC000566412659 326041516 /nfs/dbraw/zinc/04/15/16/326041516.db2.gz IYAJTYJCRVITDD-BXKDBHETSA-N 2 2 237.303 -0.571 20 0 BBADLP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CC(=O)NC3=O)C2)C1 ZINC000566412659 326041515 /nfs/dbraw/zinc/04/15/15/326041515.db2.gz IYAJTYJCRVITDD-BXKDBHETSA-N 2 2 237.303 -0.571 20 0 BBADLP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3CC(=O)NC3=O)C2)C1 ZINC000566412659 326041514 /nfs/dbraw/zinc/04/15/14/326041514.db2.gz IYAJTYJCRVITDD-BXKDBHETSA-N 2 2 237.303 -0.571 20 0 BBADLP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CC(=O)NC3=O)C2)C1 ZINC000566412660 326040948 /nfs/dbraw/zinc/04/09/48/326040948.db2.gz IYAJTYJCRVITDD-CABZTGNLSA-N 2 2 237.303 -0.571 20 0 BBADLP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CC(=O)NC3=O)C2)C1 ZINC000566412660 326040944 /nfs/dbraw/zinc/04/09/44/326040944.db2.gz IYAJTYJCRVITDD-CABZTGNLSA-N 2 2 237.303 -0.571 20 0 BBADLP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CC(=O)NC3=O)C2)C1 ZINC000566412660 326040943 /nfs/dbraw/zinc/04/09/43/326040943.db2.gz IYAJTYJCRVITDD-CABZTGNLSA-N 2 2 237.303 -0.571 20 0 BBADLP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3CC(=O)NC3=O)C2)C1 ZINC000566412660 326040941 /nfs/dbraw/zinc/04/09/41/326040941.db2.gz IYAJTYJCRVITDD-CABZTGNLSA-N 2 2 237.303 -0.571 20 0 BBADLP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CC(=O)NC3=O)C2)C1 ZINC000566412661 326041303 /nfs/dbraw/zinc/04/13/03/326041303.db2.gz IYAJTYJCRVITDD-JOYOIKCWSA-N 2 2 237.303 -0.571 20 0 BBADLP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CC(=O)NC3=O)C2)C1 ZINC000566412661 326041300 /nfs/dbraw/zinc/04/13/00/326041300.db2.gz IYAJTYJCRVITDD-JOYOIKCWSA-N 2 2 237.303 -0.571 20 0 BBADLP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CC(=O)NC3=O)C2)C1 ZINC000566412661 326041299 /nfs/dbraw/zinc/04/12/99/326041299.db2.gz IYAJTYJCRVITDD-JOYOIKCWSA-N 2 2 237.303 -0.571 20 0 BBADLP C[N@@H+]1CC[C@@]2(CC[NH+]([C@H]3CC(=O)NC3=O)C2)C1 ZINC000566412661 326041295 /nfs/dbraw/zinc/04/12/95/326041295.db2.gz IYAJTYJCRVITDD-JOYOIKCWSA-N 2 2 237.303 -0.571 20 0 BBADLP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CC(=O)NC3=O)C2)C1 ZINC000566412663 326041340 /nfs/dbraw/zinc/04/13/40/326041340.db2.gz IYAJTYJCRVITDD-SKDRFNHKSA-N 2 2 237.303 -0.571 20 0 BBADLP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CC(=O)NC3=O)C2)C1 ZINC000566412663 326041338 /nfs/dbraw/zinc/04/13/38/326041338.db2.gz IYAJTYJCRVITDD-SKDRFNHKSA-N 2 2 237.303 -0.571 20 0 BBADLP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CC(=O)NC3=O)C2)C1 ZINC000566412663 326041335 /nfs/dbraw/zinc/04/13/35/326041335.db2.gz IYAJTYJCRVITDD-SKDRFNHKSA-N 2 2 237.303 -0.571 20 0 BBADLP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3CC(=O)NC3=O)C2)C1 ZINC000566412663 326041332 /nfs/dbraw/zinc/04/13/32/326041332.db2.gz IYAJTYJCRVITDD-SKDRFNHKSA-N 2 2 237.303 -0.571 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C(=O)NC)C(C)C ZINC000566413867 326041617 /nfs/dbraw/zinc/04/16/17/326041617.db2.gz VVFKBMBMAGNMKX-MNOVXSKESA-N 2 2 245.367 -0.341 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C(=O)NC)C(C)C ZINC000566413867 326041616 /nfs/dbraw/zinc/04/16/16/326041616.db2.gz VVFKBMBMAGNMKX-MNOVXSKESA-N 2 2 245.367 -0.341 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C(=O)NC)C(C)C ZINC000566413869 326042120 /nfs/dbraw/zinc/04/21/20/326042120.db2.gz VVFKBMBMAGNMKX-QWRGUYRKSA-N 2 2 245.367 -0.341 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C(=O)NC)C(C)C ZINC000566413869 326042119 /nfs/dbraw/zinc/04/21/19/326042119.db2.gz VVFKBMBMAGNMKX-QWRGUYRKSA-N 2 2 245.367 -0.341 20 0 BBADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@H]2COC[C@H]2O)C1 ZINC000566415153 326042097 /nfs/dbraw/zinc/04/20/97/326042097.db2.gz XRKMMRXMCMPKAH-GARJFASQSA-N 2 2 237.303 -0.031 20 0 BBADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@H]2COC[C@H]2O)C1 ZINC000566415153 326042095 /nfs/dbraw/zinc/04/20/95/326042095.db2.gz XRKMMRXMCMPKAH-GARJFASQSA-N 2 2 237.303 -0.031 20 0 BBADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@@H]2COC[C@H]2O)C1 ZINC000566415155 326042061 /nfs/dbraw/zinc/04/20/61/326042061.db2.gz XRKMMRXMCMPKAH-GMTAPVOTSA-N 2 2 237.303 -0.031 20 0 BBADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@@H]2COC[C@H]2O)C1 ZINC000566415155 326042060 /nfs/dbraw/zinc/04/20/60/326042060.db2.gz XRKMMRXMCMPKAH-GMTAPVOTSA-N 2 2 237.303 -0.031 20 0 BBADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@@H]2COC[C@H]2O)C1 ZINC000566415156 326042196 /nfs/dbraw/zinc/04/21/96/326042196.db2.gz XRKMMRXMCMPKAH-HBNTYKKESA-N 2 2 237.303 -0.031 20 0 BBADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@@H]2COC[C@H]2O)C1 ZINC000566415156 326042195 /nfs/dbraw/zinc/04/21/95/326042195.db2.gz XRKMMRXMCMPKAH-HBNTYKKESA-N 2 2 237.303 -0.031 20 0 BBADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@H]2COC[C@H]2O)C1 ZINC000566415157 326042046 /nfs/dbraw/zinc/04/20/46/326042046.db2.gz XRKMMRXMCMPKAH-OUAUKWLOSA-N 2 2 237.303 -0.031 20 0 BBADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@H]2COC[C@H]2O)C1 ZINC000566415157 326042044 /nfs/dbraw/zinc/04/20/44/326042044.db2.gz XRKMMRXMCMPKAH-OUAUKWLOSA-N 2 2 237.303 -0.031 20 0 BBADLP C[C@@H]([NH3+])CCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000566676955 326073024 /nfs/dbraw/zinc/07/30/24/326073024.db2.gz OUSSFZBACDYUEM-NXEZZACHSA-N 3 2 228.340 -0.785 20 0 BBADLP C[C@@H]([NH3+])CCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000566676955 326073021 /nfs/dbraw/zinc/07/30/21/326073021.db2.gz OUSSFZBACDYUEM-NXEZZACHSA-N 3 2 228.340 -0.785 20 0 BBADLP C[C@H]([NH3+])CCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000566676963 326073211 /nfs/dbraw/zinc/07/32/11/326073211.db2.gz OUSSFZBACDYUEM-UWVGGRQHSA-N 3 2 228.340 -0.785 20 0 BBADLP C[C@H]([NH3+])CCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000566676963 326073209 /nfs/dbraw/zinc/07/32/09/326073209.db2.gz OUSSFZBACDYUEM-UWVGGRQHSA-N 3 2 228.340 -0.785 20 0 BBADLP C[C@H]([NH3+])CCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000566676964 326073116 /nfs/dbraw/zinc/07/31/16/326073116.db2.gz OUSSFZBACDYUEM-VHSXEESVSA-N 3 2 228.340 -0.785 20 0 BBADLP C[C@H]([NH3+])CCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000566676964 326073115 /nfs/dbraw/zinc/07/31/15/326073115.db2.gz OUSSFZBACDYUEM-VHSXEESVSA-N 3 2 228.340 -0.785 20 0 BBADLP C[C@@H]([NH3+])CCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000566676965 326073051 /nfs/dbraw/zinc/07/30/51/326073051.db2.gz OUSSFZBACDYUEM-ZJUUUORDSA-N 3 2 228.340 -0.785 20 0 BBADLP C[C@@H]([NH3+])CCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000566676965 326073048 /nfs/dbraw/zinc/07/30/48/326073048.db2.gz OUSSFZBACDYUEM-ZJUUUORDSA-N 3 2 228.340 -0.785 20 0 BBADLP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000566679100 326073530 /nfs/dbraw/zinc/07/35/30/326073530.db2.gz UICFLOSBRLJSGA-LLVKDONJSA-N 3 2 240.351 -0.898 20 0 BBADLP C[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000566679100 326073528 /nfs/dbraw/zinc/07/35/28/326073528.db2.gz UICFLOSBRLJSGA-LLVKDONJSA-N 3 2 240.351 -0.898 20 0 BBADLP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000566679105 326073718 /nfs/dbraw/zinc/07/37/18/326073718.db2.gz UICFLOSBRLJSGA-NSHDSACASA-N 3 2 240.351 -0.898 20 0 BBADLP C[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000566679105 326073717 /nfs/dbraw/zinc/07/37/17/326073717.db2.gz UICFLOSBRLJSGA-NSHDSACASA-N 3 2 240.351 -0.898 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000566683298 326074085 /nfs/dbraw/zinc/07/40/85/326074085.db2.gz GSTHJZKHBCRMIS-SRVKXCTJSA-N 3 2 227.352 -0.359 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000566683298 326074084 /nfs/dbraw/zinc/07/40/84/326074084.db2.gz GSTHJZKHBCRMIS-SRVKXCTJSA-N 3 2 227.352 -0.359 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000566683299 326074223 /nfs/dbraw/zinc/07/42/23/326074223.db2.gz GSTHJZKHBCRMIS-TUAOUCFPSA-N 3 2 227.352 -0.359 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000566683299 326074220 /nfs/dbraw/zinc/07/42/20/326074220.db2.gz GSTHJZKHBCRMIS-TUAOUCFPSA-N 3 2 227.352 -0.359 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000566683300 326074098 /nfs/dbraw/zinc/07/40/98/326074098.db2.gz GSTHJZKHBCRMIS-UTUOFQBUSA-N 3 2 227.352 -0.359 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000566683300 326074096 /nfs/dbraw/zinc/07/40/96/326074096.db2.gz GSTHJZKHBCRMIS-UTUOFQBUSA-N 3 2 227.352 -0.359 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000566683301 326072386 /nfs/dbraw/zinc/07/23/86/326072386.db2.gz GSTHJZKHBCRMIS-WOPDTQHZSA-N 3 2 227.352 -0.359 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000566683301 326072385 /nfs/dbraw/zinc/07/23/85/326072385.db2.gz GSTHJZKHBCRMIS-WOPDTQHZSA-N 3 2 227.352 -0.359 20 0 BBADLP C[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000566748061 326080534 /nfs/dbraw/zinc/08/05/34/326080534.db2.gz LFIDXPXRPNVPJQ-UWVGGRQHSA-N 2 2 229.324 -0.569 20 0 BBADLP C[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000566748061 326080532 /nfs/dbraw/zinc/08/05/32/326080532.db2.gz LFIDXPXRPNVPJQ-UWVGGRQHSA-N 2 2 229.324 -0.569 20 0 BBADLP C[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000566748063 326080519 /nfs/dbraw/zinc/08/05/19/326080519.db2.gz LFIDXPXRPNVPJQ-ZJUUUORDSA-N 2 2 229.324 -0.569 20 0 BBADLP C[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000566748063 326080517 /nfs/dbraw/zinc/08/05/17/326080517.db2.gz LFIDXPXRPNVPJQ-ZJUUUORDSA-N 2 2 229.324 -0.569 20 0 BBADLP C[C@@H](C[NH+](C)C)[NH2+]CCC(=O)NC(N)=O ZINC000566851323 326087639 /nfs/dbraw/zinc/08/76/39/326087639.db2.gz CDCQCUJMPZDJMQ-ZETCQYMHSA-N 2 2 216.285 -0.889 20 0 BBADLP [NH3+]CC(F)(F)CC(=O)NCCn1cc[nH+]c1 ZINC000566921894 326094622 /nfs/dbraw/zinc/09/46/22/326094622.db2.gz KJOHGENNEDSUPO-UHFFFAOYSA-N 2 2 232.234 -0.017 20 0 BBADLP C[N@H+]1CCC[C@@H]1C[NH2+]CCC(=O)NC(N)=O ZINC000566969121 326097935 /nfs/dbraw/zinc/09/79/35/326097935.db2.gz VDNDGNMJSWDJFY-MRVPVSSYSA-N 2 2 228.296 -0.745 20 0 BBADLP C[N@@H+]1CCC[C@@H]1C[NH2+]CCC(=O)NC(N)=O ZINC000566969121 326097932 /nfs/dbraw/zinc/09/79/32/326097932.db2.gz VDNDGNMJSWDJFY-MRVPVSSYSA-N 2 2 228.296 -0.745 20 0 BBADLP C[N@H+]1CCC[C@H]1C[NH2+]CCC(=O)NC(N)=O ZINC000566969122 326097713 /nfs/dbraw/zinc/09/77/13/326097713.db2.gz VDNDGNMJSWDJFY-QMMMGPOBSA-N 2 2 228.296 -0.745 20 0 BBADLP C[N@@H+]1CCC[C@H]1C[NH2+]CCC(=O)NC(N)=O ZINC000566969122 326097711 /nfs/dbraw/zinc/09/77/11/326097711.db2.gz VDNDGNMJSWDJFY-QMMMGPOBSA-N 2 2 228.296 -0.745 20 0 BBADLP COC(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000567049443 326106899 /nfs/dbraw/zinc/10/68/99/326106899.db2.gz VGGYJKSATWSCTP-JTQLQIEISA-N 2 2 242.319 -0.153 20 0 BBADLP COC(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000567049443 326106897 /nfs/dbraw/zinc/10/68/97/326106897.db2.gz VGGYJKSATWSCTP-JTQLQIEISA-N 2 2 242.319 -0.153 20 0 BBADLP COC(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000567049444 326106791 /nfs/dbraw/zinc/10/67/91/326106791.db2.gz VGGYJKSATWSCTP-SNVBAGLBSA-N 2 2 242.319 -0.153 20 0 BBADLP COC(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000567049444 326106788 /nfs/dbraw/zinc/10/67/88/326106788.db2.gz VGGYJKSATWSCTP-SNVBAGLBSA-N 2 2 242.319 -0.153 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000567054742 326107788 /nfs/dbraw/zinc/10/77/88/326107788.db2.gz ZNMRQHMTOLTLNB-GHMZBOCLSA-N 3 2 215.341 -0.373 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000567054742 326107787 /nfs/dbraw/zinc/10/77/87/326107787.db2.gz ZNMRQHMTOLTLNB-GHMZBOCLSA-N 3 2 215.341 -0.373 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000567054743 326107377 /nfs/dbraw/zinc/10/73/77/326107377.db2.gz ZNMRQHMTOLTLNB-MNOVXSKESA-N 3 2 215.341 -0.373 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000567054743 326107373 /nfs/dbraw/zinc/10/73/73/326107373.db2.gz ZNMRQHMTOLTLNB-MNOVXSKESA-N 3 2 215.341 -0.373 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000567054744 326107649 /nfs/dbraw/zinc/10/76/49/326107649.db2.gz ZNMRQHMTOLTLNB-QWRGUYRKSA-N 3 2 215.341 -0.373 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000567054744 326107646 /nfs/dbraw/zinc/10/76/46/326107646.db2.gz ZNMRQHMTOLTLNB-QWRGUYRKSA-N 3 2 215.341 -0.373 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000567054745 326107438 /nfs/dbraw/zinc/10/74/38/326107438.db2.gz ZNMRQHMTOLTLNB-WDEREUQCSA-N 3 2 215.341 -0.373 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000567054745 326107435 /nfs/dbraw/zinc/10/74/35/326107435.db2.gz ZNMRQHMTOLTLNB-WDEREUQCSA-N 3 2 215.341 -0.373 20 0 BBADLP [NH3+]CCC[NH+]1CCN(Cc2ncc[nH]2)CC1 ZINC000567170028 326128228 /nfs/dbraw/zinc/12/82/28/326128228.db2.gz LQKQKUFZSYRNGS-UHFFFAOYSA-N 2 2 223.324 -0.124 20 0 BBADLP CC[N@@H+](CC[NH2+]CCC(=O)NC(N)=O)C1CC1 ZINC000567261699 323348366 /nfs/dbraw/zinc/34/83/66/323348366.db2.gz GDDPXSGHKYMLSB-UHFFFAOYSA-N 2 2 242.323 -0.355 20 0 BBADLP CC[N@H+](CC[NH2+]CCC(=O)NC(N)=O)C1CC1 ZINC000567261699 323348361 /nfs/dbraw/zinc/34/83/61/323348361.db2.gz GDDPXSGHKYMLSB-UHFFFAOYSA-N 2 2 242.323 -0.355 20 0 BBADLP C[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000567385657 326181148 /nfs/dbraw/zinc/18/11/48/326181148.db2.gz KKLXINYVIZXZSA-IRCOFANPSA-N 2 2 246.351 -0.573 20 0 BBADLP C[C@H](O)C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000567385658 326181326 /nfs/dbraw/zinc/18/13/26/326181326.db2.gz KKLXINYVIZXZSA-NNYUYHANSA-N 2 2 246.351 -0.573 20 0 BBADLP C[C@H](O)C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000567385658 326181324 /nfs/dbraw/zinc/18/13/24/326181324.db2.gz KKLXINYVIZXZSA-NNYUYHANSA-N 2 2 246.351 -0.573 20 0 BBADLP C[C@H](O)C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000567385659 326181055 /nfs/dbraw/zinc/18/10/55/326181055.db2.gz KKLXINYVIZXZSA-QCNOEVLYSA-N 2 2 246.351 -0.573 20 0 BBADLP C[C@H](O)C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000567385660 326181383 /nfs/dbraw/zinc/18/13/83/326181383.db2.gz KKLXINYVIZXZSA-YFKTTZPYSA-N 2 2 246.351 -0.573 20 0 BBADLP C[C@H](O)C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000567385660 326181380 /nfs/dbraw/zinc/18/13/80/326181380.db2.gz KKLXINYVIZXZSA-YFKTTZPYSA-N 2 2 246.351 -0.573 20 0 BBADLP COC[C@@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000567483140 326202103 /nfs/dbraw/zinc/20/21/03/326202103.db2.gz LVSKMCOWRAHQNS-JTQLQIEISA-N 2 2 240.307 -0.461 20 0 BBADLP Cc1[nH+]cc(C[NH2+][C@@]2(CO)CCOC2)n1C ZINC000567487100 326202527 /nfs/dbraw/zinc/20/25/27/326202527.db2.gz AKJUSUGYEKPTSC-LLVKDONJSA-N 2 2 225.292 -0.030 20 0 BBADLP Cc1[nH+]cc(C[NH2+][C@]2(CO)CCOC2)n1C ZINC000567487101 326202662 /nfs/dbraw/zinc/20/26/62/326202662.db2.gz AKJUSUGYEKPTSC-NSHDSACASA-N 2 2 225.292 -0.030 20 0 BBADLP COC[C@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000567501743 388813670 /nfs/dbraw/zinc/81/36/70/388813670.db2.gz FSVUMAMNMFTPST-NWDGAFQWSA-N 2 2 246.351 -0.570 20 0 BBADLP COC[C@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000567501743 388813664 /nfs/dbraw/zinc/81/36/64/388813664.db2.gz FSVUMAMNMFTPST-NWDGAFQWSA-N 2 2 246.351 -0.570 20 0 BBADLP COC[C@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000567501744 388813836 /nfs/dbraw/zinc/81/38/36/388813836.db2.gz FSVUMAMNMFTPST-VXGBXAGGSA-N 2 2 246.351 -0.570 20 0 BBADLP COC[C@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000567501744 388813833 /nfs/dbraw/zinc/81/38/33/388813833.db2.gz FSVUMAMNMFTPST-VXGBXAGGSA-N 2 2 246.351 -0.570 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000567595285 326225275 /nfs/dbraw/zinc/22/52/75/326225275.db2.gz AYAKYQXCJPQCJJ-SRVKXCTJSA-N 3 2 227.352 -0.502 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000567595285 326225271 /nfs/dbraw/zinc/22/52/71/326225271.db2.gz AYAKYQXCJPQCJJ-SRVKXCTJSA-N 3 2 227.352 -0.502 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000567595286 326224578 /nfs/dbraw/zinc/22/45/78/326224578.db2.gz AYAKYQXCJPQCJJ-TUAOUCFPSA-N 3 2 227.352 -0.502 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000567595286 326224577 /nfs/dbraw/zinc/22/45/77/326224577.db2.gz AYAKYQXCJPQCJJ-TUAOUCFPSA-N 3 2 227.352 -0.502 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000567595287 326224656 /nfs/dbraw/zinc/22/46/56/326224656.db2.gz AYAKYQXCJPQCJJ-UTUOFQBUSA-N 3 2 227.352 -0.502 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000567595287 326224653 /nfs/dbraw/zinc/22/46/53/326224653.db2.gz AYAKYQXCJPQCJJ-UTUOFQBUSA-N 3 2 227.352 -0.502 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000567595288 326224639 /nfs/dbraw/zinc/22/46/39/326224639.db2.gz AYAKYQXCJPQCJJ-WOPDTQHZSA-N 3 2 227.352 -0.502 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000567595288 326224637 /nfs/dbraw/zinc/22/46/37/326224637.db2.gz AYAKYQXCJPQCJJ-WOPDTQHZSA-N 3 2 227.352 -0.502 20 0 BBADLP Nc1ccc(NC(=O)CCOC2C[NH2+]C2)c[nH+]1 ZINC000567668793 411957719 /nfs/dbraw/zinc/95/77/19/411957719.db2.gz UZXDTIXPDNNINX-UHFFFAOYSA-N 2 2 236.275 -0.019 20 0 BBADLP CO[C@@H]1COC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000567694191 326246495 /nfs/dbraw/zinc/24/64/95/326246495.db2.gz KOHPEWXACMUTBE-GRYCIOLGSA-N 2 2 244.335 -0.555 20 0 BBADLP CO[C@@H]1COC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000567694191 326246494 /nfs/dbraw/zinc/24/64/94/326246494.db2.gz KOHPEWXACMUTBE-GRYCIOLGSA-N 2 2 244.335 -0.555 20 0 BBADLP CO[C@@H]1COC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000567694192 326246574 /nfs/dbraw/zinc/24/65/74/326246574.db2.gz KOHPEWXACMUTBE-SDDRHHMPSA-N 2 2 244.335 -0.555 20 0 BBADLP CO[C@@H]1COC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000567694192 326246572 /nfs/dbraw/zinc/24/65/72/326246572.db2.gz KOHPEWXACMUTBE-SDDRHHMPSA-N 2 2 244.335 -0.555 20 0 BBADLP C[C@H]1COCC[N@H+]1CCNC(=O)C1([NH3+])CCC1 ZINC000567730548 326252420 /nfs/dbraw/zinc/25/24/20/326252420.db2.gz IISULQRTPMAPGY-JTQLQIEISA-N 2 2 241.335 -0.295 20 0 BBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C1([NH3+])CCC1 ZINC000567730548 326252419 /nfs/dbraw/zinc/25/24/19/326252419.db2.gz IISULQRTPMAPGY-JTQLQIEISA-N 2 2 241.335 -0.295 20 0 BBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C1([NH3+])CCC1 ZINC000567730549 326252378 /nfs/dbraw/zinc/25/23/78/326252378.db2.gz IISULQRTPMAPGY-SNVBAGLBSA-N 2 2 241.335 -0.295 20 0 BBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C1([NH3+])CCC1 ZINC000567730549 326252377 /nfs/dbraw/zinc/25/23/77/326252377.db2.gz IISULQRTPMAPGY-SNVBAGLBSA-N 2 2 241.335 -0.295 20 0 BBADLP [NH3+]CCC(=O)NCCNc1cccc[nH+]1 ZINC000567788345 326258832 /nfs/dbraw/zinc/25/88/32/326258832.db2.gz QSSOAGYTUHRVLD-UHFFFAOYSA-N 2 2 208.265 -0.042 20 0 BBADLP Cc1[nH+]ccn1CC[NH+]1CC(C)(C(N)=O)C1 ZINC000567789670 326258755 /nfs/dbraw/zinc/25/87/55/326258755.db2.gz ABJJDIQOOZKOKA-UHFFFAOYSA-N 2 2 222.292 -0.001 20 0 BBADLP COC(=O)C[C@H]([NH3+])C(=O)Nc1cc[nH+]c(C)c1 ZINC000567828468 326264841 /nfs/dbraw/zinc/26/48/41/326264841.db2.gz RNNXUKYIUODUEU-VIFPVBQESA-N 2 2 237.259 -0.359 20 0 BBADLP COCC[NH2+]CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000567838091 326266979 /nfs/dbraw/zinc/26/69/79/326266979.db2.gz LYSGAUXWBXKTQL-UHFFFAOYSA-N 2 2 226.280 -0.316 20 0 BBADLP Cc1[nH]c(C(=O)NC[C@H]2C[NH2+]CCCO2)c[nH+]1 ZINC000567847650 326269424 /nfs/dbraw/zinc/26/94/24/326269424.db2.gz VOLXYKSLAKXFJG-SECBINFHSA-N 2 2 238.291 -0.174 20 0 BBADLP Cc1[nH]c(C(=O)NC[C@@H]2C[NH2+]CCCO2)c[nH+]1 ZINC000567847651 326269633 /nfs/dbraw/zinc/26/96/33/326269633.db2.gz VOLXYKSLAKXFJG-VIFPVBQESA-N 2 2 238.291 -0.174 20 0 BBADLP C(C[NH2+][C@@H]1CCC[NH2+]C1)CN1CC[NH2+]CC1 ZINC000567870826 326273622 /nfs/dbraw/zinc/27/36/22/326273622.db2.gz PQEVGJLBCNBACZ-GFCCVEGCSA-N 3 2 226.368 -0.377 20 0 BBADLP C(C[NH2+][C@H]1CCC[NH2+]C1)CN1CC[NH2+]CC1 ZINC000567870827 326273920 /nfs/dbraw/zinc/27/39/20/326273920.db2.gz PQEVGJLBCNBACZ-LBPRGKRZSA-N 3 2 226.368 -0.377 20 0 BBADLP COC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000567872705 326274587 /nfs/dbraw/zinc/27/45/87/326274587.db2.gz FBJBAOYEKIYVKY-NWDGAFQWSA-N 2 2 246.351 -0.570 20 0 BBADLP COC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000567872705 326274584 /nfs/dbraw/zinc/27/45/84/326274584.db2.gz FBJBAOYEKIYVKY-NWDGAFQWSA-N 2 2 246.351 -0.570 20 0 BBADLP COC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000567872706 326274440 /nfs/dbraw/zinc/27/44/40/326274440.db2.gz FBJBAOYEKIYVKY-VXGBXAGGSA-N 2 2 246.351 -0.570 20 0 BBADLP COC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000567872706 326274438 /nfs/dbraw/zinc/27/44/38/326274438.db2.gz FBJBAOYEKIYVKY-VXGBXAGGSA-N 2 2 246.351 -0.570 20 0 BBADLP Nc1ccc(NC(=O)COC2C[NH2+]C2)c[nH+]1 ZINC000567882232 411957430 /nfs/dbraw/zinc/95/74/30/411957430.db2.gz MLZHEXNERIJHSL-UHFFFAOYSA-N 2 2 222.248 -0.409 20 0 BBADLP C[NH2+]CC1CC[NH+](Cc2nnnn2C)CC1 ZINC000567893052 326274201 /nfs/dbraw/zinc/27/42/01/326274201.db2.gz LLBYZONVYMSAKZ-UHFFFAOYSA-N 2 2 224.312 -0.359 20 0 BBADLP CO[C@@H]1COC[C@H]1[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000567894589 326278318 /nfs/dbraw/zinc/27/83/18/326278318.db2.gz GMLXPHIAHUMANT-DDHJBXDOSA-N 2 2 244.335 -0.243 20 0 BBADLP CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000567894590 326278433 /nfs/dbraw/zinc/27/84/33/326278433.db2.gz GMLXPHIAHUMANT-IRCOFANPSA-N 2 2 244.335 -0.243 20 0 BBADLP CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000567894591 326278408 /nfs/dbraw/zinc/27/84/08/326278408.db2.gz GMLXPHIAHUMANT-NNYUYHANSA-N 2 2 244.335 -0.243 20 0 BBADLP CO[C@@H]1COC[C@H]1[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000567894592 326278513 /nfs/dbraw/zinc/27/85/13/326278513.db2.gz GMLXPHIAHUMANT-WRWGMCAJSA-N 2 2 244.335 -0.243 20 0 BBADLP C[C@H]1C[N@@H+](CCNC(=O)CCC[NH3+])CCO1 ZINC000567966680 326289347 /nfs/dbraw/zinc/28/93/47/326289347.db2.gz YWQOVSQHUKVPTA-JTQLQIEISA-N 2 2 229.324 -0.438 20 0 BBADLP C[C@H]1C[N@H+](CCNC(=O)CCC[NH3+])CCO1 ZINC000567966680 326289345 /nfs/dbraw/zinc/28/93/45/326289345.db2.gz YWQOVSQHUKVPTA-JTQLQIEISA-N 2 2 229.324 -0.438 20 0 BBADLP C[C@@H]1C[N@@H+](CCNC(=O)CCC[NH3+])CCO1 ZINC000567966681 326289187 /nfs/dbraw/zinc/28/91/87/326289187.db2.gz YWQOVSQHUKVPTA-SNVBAGLBSA-N 2 2 229.324 -0.438 20 0 BBADLP C[C@@H]1C[N@H+](CCNC(=O)CCC[NH3+])CCO1 ZINC000567966681 326289185 /nfs/dbraw/zinc/28/91/85/326289185.db2.gz YWQOVSQHUKVPTA-SNVBAGLBSA-N 2 2 229.324 -0.438 20 0 BBADLP [NH3+][C@H]1C[C@@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000567968204 326289333 /nfs/dbraw/zinc/28/93/33/326289333.db2.gz NSMJKDPLBFPWCZ-DTORHVGOSA-N 2 2 208.265 -0.263 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCO[C@@H](COC)C1 ZINC000568050006 326300571 /nfs/dbraw/zinc/30/05/71/326300571.db2.gz DTKDHXZSPSKQTQ-GHMZBOCLSA-N 2 2 232.324 -0.696 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCO[C@@H](COC)C1 ZINC000568050006 326300569 /nfs/dbraw/zinc/30/05/69/326300569.db2.gz DTKDHXZSPSKQTQ-GHMZBOCLSA-N 2 2 232.324 -0.696 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCO[C@@H](COC)C1 ZINC000568050007 326300785 /nfs/dbraw/zinc/30/07/85/326300785.db2.gz DTKDHXZSPSKQTQ-MNOVXSKESA-N 2 2 232.324 -0.696 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCO[C@@H](COC)C1 ZINC000568050007 326300782 /nfs/dbraw/zinc/30/07/82/326300782.db2.gz DTKDHXZSPSKQTQ-MNOVXSKESA-N 2 2 232.324 -0.696 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCO[C@H](COC)C1 ZINC000568050008 326300521 /nfs/dbraw/zinc/30/05/21/326300521.db2.gz DTKDHXZSPSKQTQ-QWRGUYRKSA-N 2 2 232.324 -0.696 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCO[C@H](COC)C1 ZINC000568050008 326300519 /nfs/dbraw/zinc/30/05/19/326300519.db2.gz DTKDHXZSPSKQTQ-QWRGUYRKSA-N 2 2 232.324 -0.696 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCO[C@H](COC)C1 ZINC000568050009 326300469 /nfs/dbraw/zinc/30/04/69/326300469.db2.gz DTKDHXZSPSKQTQ-WDEREUQCSA-N 2 2 232.324 -0.696 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCO[C@H](COC)C1 ZINC000568050009 326300467 /nfs/dbraw/zinc/30/04/67/326300467.db2.gz DTKDHXZSPSKQTQ-WDEREUQCSA-N 2 2 232.324 -0.696 20 0 BBADLP C[NH2+]C[C@@](C)(O)CN(C)Cc1[nH+]ccn1C ZINC000568051573 326300609 /nfs/dbraw/zinc/30/06/09/326300609.db2.gz RJOYXTWVDRMLFH-LLVKDONJSA-N 2 2 226.324 -0.178 20 0 BBADLP C[NH2+]C[C@](C)(O)CN(C)Cc1[nH+]ccn1C ZINC000568051574 326300859 /nfs/dbraw/zinc/30/08/59/326300859.db2.gz RJOYXTWVDRMLFH-NSHDSACASA-N 2 2 226.324 -0.178 20 0 BBADLP C[C@H](Cn1cc[nH+]c1)[NH2+]CCC(=O)NC(N)=O ZINC000568077469 326305319 /nfs/dbraw/zinc/30/53/19/326305319.db2.gz WDGMHXXQTFUANY-MRVPVSSYSA-N 2 2 239.279 -0.554 20 0 BBADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]CCC(=O)NC(N)=O ZINC000568077470 326305169 /nfs/dbraw/zinc/30/51/69/326305169.db2.gz WDGMHXXQTFUANY-QMMMGPOBSA-N 2 2 239.279 -0.554 20 0 BBADLP CC(C)[C@@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000568094804 326307627 /nfs/dbraw/zinc/30/76/27/326307627.db2.gz OQQDOYXJJURCOK-GHMZBOCLSA-N 2 2 243.351 -0.193 20 0 BBADLP CC(C)[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000568094804 326307625 /nfs/dbraw/zinc/30/76/25/326307625.db2.gz OQQDOYXJJURCOK-GHMZBOCLSA-N 2 2 243.351 -0.193 20 0 BBADLP CC(C)[C@@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000568094805 326307590 /nfs/dbraw/zinc/30/75/90/326307590.db2.gz OQQDOYXJJURCOK-WDEREUQCSA-N 2 2 243.351 -0.193 20 0 BBADLP CC(C)[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000568094805 326307588 /nfs/dbraw/zinc/30/75/88/326307588.db2.gz OQQDOYXJJURCOK-WDEREUQCSA-N 2 2 243.351 -0.193 20 0 BBADLP Cc1[nH+]cc(C[NH2+]CCNS(C)(=O)=O)n1C ZINC000568108846 326309559 /nfs/dbraw/zinc/30/95/59/326309559.db2.gz PJWFIVSNLAQOGA-UHFFFAOYSA-N 2 2 246.336 -0.633 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)[C@@H]1CCNC1=O ZINC000568167250 326318448 /nfs/dbraw/zinc/31/84/48/326318448.db2.gz DAHNMVOQYBWFDL-GHMZBOCLSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+](CC)[C@@H]1CCNC1=O ZINC000568167250 326318446 /nfs/dbraw/zinc/31/84/46/326318446.db2.gz DAHNMVOQYBWFDL-GHMZBOCLSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C[C@H](O)C[N@H+](C)CC)[C@@H]1CCNC1=O ZINC000568167250 326318444 /nfs/dbraw/zinc/31/84/44/326318444.db2.gz DAHNMVOQYBWFDL-GHMZBOCLSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@@H]1CCNC1=O ZINC000568167250 326318442 /nfs/dbraw/zinc/31/84/42/326318442.db2.gz DAHNMVOQYBWFDL-GHMZBOCLSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)[C@H]1CCNC1=O ZINC000568167251 326318343 /nfs/dbraw/zinc/31/83/43/326318343.db2.gz DAHNMVOQYBWFDL-MNOVXSKESA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+](CC)[C@H]1CCNC1=O ZINC000568167251 326318341 /nfs/dbraw/zinc/31/83/41/326318341.db2.gz DAHNMVOQYBWFDL-MNOVXSKESA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C[C@H](O)C[N@H+](C)CC)[C@H]1CCNC1=O ZINC000568167251 326318339 /nfs/dbraw/zinc/31/83/39/326318339.db2.gz DAHNMVOQYBWFDL-MNOVXSKESA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@H]1CCNC1=O ZINC000568167251 326318337 /nfs/dbraw/zinc/31/83/37/326318337.db2.gz DAHNMVOQYBWFDL-MNOVXSKESA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+](CC)[C@H]1CCNC1=O ZINC000568167252 326318038 /nfs/dbraw/zinc/31/80/38/326318038.db2.gz DAHNMVOQYBWFDL-QWRGUYRKSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+](CC)[C@H]1CCNC1=O ZINC000568167252 326318037 /nfs/dbraw/zinc/31/80/37/326318037.db2.gz DAHNMVOQYBWFDL-QWRGUYRKSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@H]1CCNC1=O ZINC000568167252 326318035 /nfs/dbraw/zinc/31/80/35/326318035.db2.gz DAHNMVOQYBWFDL-QWRGUYRKSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@H]1CCNC1=O ZINC000568167252 326318034 /nfs/dbraw/zinc/31/80/34/326318034.db2.gz DAHNMVOQYBWFDL-QWRGUYRKSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+](CC)[C@@H]1CCNC1=O ZINC000568167253 326318132 /nfs/dbraw/zinc/31/81/32/326318132.db2.gz DAHNMVOQYBWFDL-WDEREUQCSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+](CC)[C@@H]1CCNC1=O ZINC000568167253 326318131 /nfs/dbraw/zinc/31/81/31/326318131.db2.gz DAHNMVOQYBWFDL-WDEREUQCSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@@H]1CCNC1=O ZINC000568167253 326318130 /nfs/dbraw/zinc/31/81/30/326318130.db2.gz DAHNMVOQYBWFDL-WDEREUQCSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@@H]1CCNC1=O ZINC000568167253 326318128 /nfs/dbraw/zinc/31/81/28/326318128.db2.gz DAHNMVOQYBWFDL-WDEREUQCSA-N 2 2 243.351 -0.491 20 0 BBADLP CCO[C@@H]1COC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)CC ZINC000568180744 326321700 /nfs/dbraw/zinc/32/17/00/326321700.db2.gz BAJSBIYKCZOXJR-IJLUTSLNSA-N 2 2 246.351 -0.308 20 0 BBADLP CCO[C@@H]1COC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)CC ZINC000568180744 326321698 /nfs/dbraw/zinc/32/16/98/326321698.db2.gz BAJSBIYKCZOXJR-IJLUTSLNSA-N 2 2 246.351 -0.308 20 0 BBADLP CCO[C@@H]1COC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)CC ZINC000568180745 326321512 /nfs/dbraw/zinc/32/15/12/326321512.db2.gz BAJSBIYKCZOXJR-QJPTWQEYSA-N 2 2 246.351 -0.308 20 0 BBADLP CCO[C@@H]1COC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)CC ZINC000568180745 326321510 /nfs/dbraw/zinc/32/15/10/326321510.db2.gz BAJSBIYKCZOXJR-QJPTWQEYSA-N 2 2 246.351 -0.308 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC(O)C1 ZINC000568407843 326354964 /nfs/dbraw/zinc/35/49/64/326354964.db2.gz VVOQQKHQNIOQOU-HTAVTVPLSA-N 2 2 246.351 -0.619 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC(O)C1 ZINC000568407843 326354959 /nfs/dbraw/zinc/35/49/59/326354959.db2.gz VVOQQKHQNIOQOU-HTAVTVPLSA-N 2 2 246.351 -0.619 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C1CC(O)C1 ZINC000568407843 326354957 /nfs/dbraw/zinc/35/49/57/326354957.db2.gz VVOQQKHQNIOQOU-HTAVTVPLSA-N 2 2 246.351 -0.619 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C1CC(O)C1 ZINC000568407844 326355173 /nfs/dbraw/zinc/35/51/73/326355173.db2.gz VVOQQKHQNIOQOU-MCIGGMRASA-N 2 2 246.351 -0.619 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C1CC(O)C1 ZINC000568407844 326355172 /nfs/dbraw/zinc/35/51/72/326355172.db2.gz VVOQQKHQNIOQOU-MCIGGMRASA-N 2 2 246.351 -0.619 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C1CC(O)C1 ZINC000568407844 326355170 /nfs/dbraw/zinc/35/51/70/326355170.db2.gz VVOQQKHQNIOQOU-MCIGGMRASA-N 2 2 246.351 -0.619 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C1CC(O)C1 ZINC000568407844 326355168 /nfs/dbraw/zinc/35/51/68/326355168.db2.gz VVOQQKHQNIOQOU-MCIGGMRASA-N 2 2 246.351 -0.619 20 0 BBADLP C[C@@H]1C[N@@H+](CCCN2CCOCC2)C[C@H]1[NH3+] ZINC000568634291 326369842 /nfs/dbraw/zinc/36/98/42/326369842.db2.gz PJCAEXAZGDFWFX-VXGBXAGGSA-N 2 2 227.352 -0.012 20 0 BBADLP C[C@@H]1C[N@H+](CCCN2CCOCC2)C[C@H]1[NH3+] ZINC000568634291 326369841 /nfs/dbraw/zinc/36/98/41/326369841.db2.gz PJCAEXAZGDFWFX-VXGBXAGGSA-N 2 2 227.352 -0.012 20 0 BBADLP COCC[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC000568695053 326372389 /nfs/dbraw/zinc/37/23/89/326372389.db2.gz KQRRQLBAKQNRLQ-UHFFFAOYSA-N 2 2 240.307 -0.423 20 0 BBADLP COCC[N@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC000568695053 326372388 /nfs/dbraw/zinc/37/23/88/326372388.db2.gz KQRRQLBAKQNRLQ-UHFFFAOYSA-N 2 2 240.307 -0.423 20 0 BBADLP C[NH2+]CCC[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000568748699 326374710 /nfs/dbraw/zinc/37/47/10/326374710.db2.gz BYZIJAOYLIYQBT-SECBINFHSA-N 2 2 235.353 -0.651 20 0 BBADLP C[NH2+]CCC[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000568748699 326374709 /nfs/dbraw/zinc/37/47/09/326374709.db2.gz BYZIJAOYLIYQBT-SECBINFHSA-N 2 2 235.353 -0.651 20 0 BBADLP C[NH2+]CCC[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000568748700 326374675 /nfs/dbraw/zinc/37/46/75/326374675.db2.gz BYZIJAOYLIYQBT-VIFPVBQESA-N 2 2 235.353 -0.651 20 0 BBADLP C[NH2+]CCC[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000568748700 326374674 /nfs/dbraw/zinc/37/46/74/326374674.db2.gz BYZIJAOYLIYQBT-VIFPVBQESA-N 2 2 235.353 -0.651 20 0 BBADLP CN1CC[N@@H+](CC2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000568750124 326374940 /nfs/dbraw/zinc/37/49/40/326374940.db2.gz WCJHZHKCUPISCU-GFCCVEGCSA-N 3 2 226.368 -0.439 20 0 BBADLP CN1CC[N@H+](CC2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000568750124 326374939 /nfs/dbraw/zinc/37/49/39/326374939.db2.gz WCJHZHKCUPISCU-GFCCVEGCSA-N 3 2 226.368 -0.439 20 0 BBADLP C[N@H+]1CCN(CC2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000568750124 326374938 /nfs/dbraw/zinc/37/49/38/326374938.db2.gz WCJHZHKCUPISCU-GFCCVEGCSA-N 3 2 226.368 -0.439 20 0 BBADLP C[N@@H+]1CCN(CC2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000568750124 326374937 /nfs/dbraw/zinc/37/49/37/326374937.db2.gz WCJHZHKCUPISCU-GFCCVEGCSA-N 3 2 226.368 -0.439 20 0 BBADLP CN1CC[N@@H+](CC2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000568750125 326374997 /nfs/dbraw/zinc/37/49/97/326374997.db2.gz WCJHZHKCUPISCU-LBPRGKRZSA-N 3 2 226.368 -0.439 20 0 BBADLP CN1CC[N@H+](CC2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000568750125 326374995 /nfs/dbraw/zinc/37/49/95/326374995.db2.gz WCJHZHKCUPISCU-LBPRGKRZSA-N 3 2 226.368 -0.439 20 0 BBADLP C[N@H+]1CCN(CC2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000568750125 326374994 /nfs/dbraw/zinc/37/49/94/326374994.db2.gz WCJHZHKCUPISCU-LBPRGKRZSA-N 3 2 226.368 -0.439 20 0 BBADLP C[N@@H+]1CCN(CC2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000568750125 326374992 /nfs/dbraw/zinc/37/49/92/326374992.db2.gz WCJHZHKCUPISCU-LBPRGKRZSA-N 3 2 226.368 -0.439 20 0 BBADLP C[C@@H]1C[N@@H+](CCNC(=O)C2([NH3+])CC2)CCO1 ZINC000568987302 326385109 /nfs/dbraw/zinc/38/51/09/326385109.db2.gz VVLZFLRHYYHLIF-SECBINFHSA-N 2 2 227.308 -0.685 20 0 BBADLP C[C@@H]1C[N@H+](CCNC(=O)C2([NH3+])CC2)CCO1 ZINC000568987302 326385108 /nfs/dbraw/zinc/38/51/08/326385108.db2.gz VVLZFLRHYYHLIF-SECBINFHSA-N 2 2 227.308 -0.685 20 0 BBADLP C[C@H]1C[N@@H+](CCNC(=O)C2([NH3+])CC2)CCO1 ZINC000568987303 326385044 /nfs/dbraw/zinc/38/50/44/326385044.db2.gz VVLZFLRHYYHLIF-VIFPVBQESA-N 2 2 227.308 -0.685 20 0 BBADLP C[C@H]1C[N@H+](CCNC(=O)C2([NH3+])CC2)CCO1 ZINC000568987303 326385043 /nfs/dbraw/zinc/38/50/43/326385043.db2.gz VVLZFLRHYYHLIF-VIFPVBQESA-N 2 2 227.308 -0.685 20 0 BBADLP CCOCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000569085945 326389047 /nfs/dbraw/zinc/38/90/47/326389047.db2.gz YIZVEPBGJRTFSC-JTQLQIEISA-N 2 2 244.339 -0.693 20 0 BBADLP CCOCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000569085945 326389046 /nfs/dbraw/zinc/38/90/46/326389046.db2.gz YIZVEPBGJRTFSC-JTQLQIEISA-N 2 2 244.339 -0.693 20 0 BBADLP CCOCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000569085946 326389286 /nfs/dbraw/zinc/38/92/86/326389286.db2.gz YIZVEPBGJRTFSC-SNVBAGLBSA-N 2 2 244.339 -0.693 20 0 BBADLP CCOCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000569085946 326389283 /nfs/dbraw/zinc/38/92/83/326389283.db2.gz YIZVEPBGJRTFSC-SNVBAGLBSA-N 2 2 244.339 -0.693 20 0 BBADLP Cc1cnn(CC[N@@H+](CC[NH3+])CCO)c1 ZINC000569104429 326390047 /nfs/dbraw/zinc/39/00/47/326390047.db2.gz KUFPLDBUXRKJDD-UHFFFAOYSA-N 2 2 212.297 -0.555 20 0 BBADLP Cc1cnn(CC[N@H+](CC[NH3+])CCO)c1 ZINC000569104429 326390045 /nfs/dbraw/zinc/39/00/45/326390045.db2.gz KUFPLDBUXRKJDD-UHFFFAOYSA-N 2 2 212.297 -0.555 20 0 BBADLP OCC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000569106819 326390379 /nfs/dbraw/zinc/39/03/79/326390379.db2.gz PPGIOPRGLYHAOO-UHFFFAOYSA-N 2 2 228.336 -0.195 20 0 BBADLP C[NH2+]C[C@@H](C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000569114953 326391158 /nfs/dbraw/zinc/39/11/58/326391158.db2.gz LJGUKAXUSCASHY-LLVKDONJSA-N 2 2 243.351 -0.368 20 0 BBADLP C[NH2+]C[C@H](C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000569114954 326391296 /nfs/dbraw/zinc/39/12/96/326391296.db2.gz LJGUKAXUSCASHY-NSHDSACASA-N 2 2 243.351 -0.368 20 0 BBADLP CNC(=O)C1C[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000569120840 326391813 /nfs/dbraw/zinc/39/18/13/326391813.db2.gz SRQQKUUIFCTMBV-LLVKDONJSA-N 2 2 243.351 -0.635 20 0 BBADLP CNC(=O)C1C[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000569120840 326391811 /nfs/dbraw/zinc/39/18/11/326391811.db2.gz SRQQKUUIFCTMBV-LLVKDONJSA-N 2 2 243.351 -0.635 20 0 BBADLP CNC(=O)C1C[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000569120841 326391768 /nfs/dbraw/zinc/39/17/68/326391768.db2.gz SRQQKUUIFCTMBV-NSHDSACASA-N 2 2 243.351 -0.635 20 0 BBADLP CNC(=O)C1C[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000569120841 326391767 /nfs/dbraw/zinc/39/17/67/326391767.db2.gz SRQQKUUIFCTMBV-NSHDSACASA-N 2 2 243.351 -0.635 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)C1CC(O)C1 ZINC000569136837 326392726 /nfs/dbraw/zinc/39/27/26/326392726.db2.gz XOHBALNWUNYKQO-ILDUYXDCSA-N 2 2 216.325 -0.246 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+](C)C1CC(O)C1 ZINC000569136837 326392725 /nfs/dbraw/zinc/39/27/25/326392725.db2.gz XOHBALNWUNYKQO-ILDUYXDCSA-N 2 2 216.325 -0.246 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)C1CC(O)C1 ZINC000569136837 326392723 /nfs/dbraw/zinc/39/27/23/326392723.db2.gz XOHBALNWUNYKQO-ILDUYXDCSA-N 2 2 216.325 -0.246 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+](C)C1CC(O)C1 ZINC000569136837 326392722 /nfs/dbraw/zinc/39/27/22/326392722.db2.gz XOHBALNWUNYKQO-ILDUYXDCSA-N 2 2 216.325 -0.246 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC(O)C1 ZINC000569136840 326392609 /nfs/dbraw/zinc/39/26/09/326392609.db2.gz XOHBALNWUNYKQO-VQXHTEKXSA-N 2 2 216.325 -0.246 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)C1CC(O)C1 ZINC000569136840 326392608 /nfs/dbraw/zinc/39/26/08/326392608.db2.gz XOHBALNWUNYKQO-VQXHTEKXSA-N 2 2 216.325 -0.246 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC(O)C1 ZINC000569136840 326392607 /nfs/dbraw/zinc/39/26/07/326392607.db2.gz XOHBALNWUNYKQO-VQXHTEKXSA-N 2 2 216.325 -0.246 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)C1CC(O)C1 ZINC000569136840 326392606 /nfs/dbraw/zinc/39/26/06/326392606.db2.gz XOHBALNWUNYKQO-VQXHTEKXSA-N 2 2 216.325 -0.246 20 0 BBADLP CC(=O)NCC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000569220293 326395776 /nfs/dbraw/zinc/39/57/76/326395776.db2.gz YHMMXTOEOLVJEG-GFCCVEGCSA-N 2 2 243.351 -0.491 20 0 BBADLP CC(=O)NCC[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000569220293 326395775 /nfs/dbraw/zinc/39/57/75/326395775.db2.gz YHMMXTOEOLVJEG-GFCCVEGCSA-N 2 2 243.351 -0.491 20 0 BBADLP CC(=O)NCC[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000569220293 326395774 /nfs/dbraw/zinc/39/57/74/326395774.db2.gz YHMMXTOEOLVJEG-GFCCVEGCSA-N 2 2 243.351 -0.491 20 0 BBADLP CC(=O)NCC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000569220293 326395773 /nfs/dbraw/zinc/39/57/73/326395773.db2.gz YHMMXTOEOLVJEG-GFCCVEGCSA-N 2 2 243.351 -0.491 20 0 BBADLP CC(=O)NCC[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000569220294 326395755 /nfs/dbraw/zinc/39/57/55/326395755.db2.gz YHMMXTOEOLVJEG-LBPRGKRZSA-N 2 2 243.351 -0.491 20 0 BBADLP CC(=O)NCC[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000569220294 326395754 /nfs/dbraw/zinc/39/57/54/326395754.db2.gz YHMMXTOEOLVJEG-LBPRGKRZSA-N 2 2 243.351 -0.491 20 0 BBADLP CC(=O)NCC[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000569220294 326395753 /nfs/dbraw/zinc/39/57/53/326395753.db2.gz YHMMXTOEOLVJEG-LBPRGKRZSA-N 2 2 243.351 -0.491 20 0 BBADLP CC(=O)NCC[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000569220294 326395752 /nfs/dbraw/zinc/39/57/52/326395752.db2.gz YHMMXTOEOLVJEG-LBPRGKRZSA-N 2 2 243.351 -0.491 20 0 BBADLP CCOC(=O)CC[N@@H+](CC[NH3+])CCO ZINC000569222726 326396033 /nfs/dbraw/zinc/39/60/33/326396033.db2.gz QRJPSBSVPZDAFE-UHFFFAOYSA-N 2 2 204.270 -0.807 20 0 BBADLP CCOC(=O)CC[N@H+](CC[NH3+])CCO ZINC000569222726 326396032 /nfs/dbraw/zinc/39/60/32/326396032.db2.gz QRJPSBSVPZDAFE-UHFFFAOYSA-N 2 2 204.270 -0.807 20 0 BBADLP O=C(N[C@H]1CC[NH2+]C1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000569239488 409993296 /nfs/dbraw/zinc/99/32/96/409993296.db2.gz XMVXOURBVZRLNA-BDAKNGLRSA-N 2 2 249.318 -0.072 20 0 BBADLP O=C(N[C@H]1CC[NH2+]C1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000569239488 409993289 /nfs/dbraw/zinc/99/32/89/409993289.db2.gz XMVXOURBVZRLNA-BDAKNGLRSA-N 2 2 249.318 -0.072 20 0 BBADLP O=C(N[C@H]1CC[NH2+]C1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000569239490 409992767 /nfs/dbraw/zinc/99/27/67/409992767.db2.gz XMVXOURBVZRLNA-IUCAKERBSA-N 2 2 249.318 -0.072 20 0 BBADLP O=C(N[C@H]1CC[NH2+]C1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000569239490 409992756 /nfs/dbraw/zinc/99/27/56/409992756.db2.gz XMVXOURBVZRLNA-IUCAKERBSA-N 2 2 249.318 -0.072 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1C(N)=O ZINC000569255697 326398040 /nfs/dbraw/zinc/39/80/40/326398040.db2.gz DCEDJOACMIQYKP-NXEZZACHSA-N 2 2 229.324 -0.751 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000569255697 326398039 /nfs/dbraw/zinc/39/80/39/326398039.db2.gz DCEDJOACMIQYKP-NXEZZACHSA-N 2 2 229.324 -0.751 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C(N)=O ZINC000569255697 326398038 /nfs/dbraw/zinc/39/80/38/326398038.db2.gz DCEDJOACMIQYKP-NXEZZACHSA-N 2 2 229.324 -0.751 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C(N)=O ZINC000569255697 326398037 /nfs/dbraw/zinc/39/80/37/326398037.db2.gz DCEDJOACMIQYKP-NXEZZACHSA-N 2 2 229.324 -0.751 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1C(N)=O ZINC000569255698 326398095 /nfs/dbraw/zinc/39/80/95/326398095.db2.gz DCEDJOACMIQYKP-VHSXEESVSA-N 2 2 229.324 -0.751 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000569255698 326398094 /nfs/dbraw/zinc/39/80/94/326398094.db2.gz DCEDJOACMIQYKP-VHSXEESVSA-N 2 2 229.324 -0.751 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C(N)=O ZINC000569255698 326398093 /nfs/dbraw/zinc/39/80/93/326398093.db2.gz DCEDJOACMIQYKP-VHSXEESVSA-N 2 2 229.324 -0.751 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C(N)=O ZINC000569255698 326398092 /nfs/dbraw/zinc/39/80/92/326398092.db2.gz DCEDJOACMIQYKP-VHSXEESVSA-N 2 2 229.324 -0.751 20 0 BBADLP CNC(=O)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000569256051 326398272 /nfs/dbraw/zinc/39/82/72/326398272.db2.gz KZIRNGSYHFWICZ-UHFFFAOYSA-N 2 2 237.307 -0.332 20 0 BBADLP Cn1c[nH+]cc1CC(=O)N1CC([NH+](C)C)C1 ZINC000569278324 326398682 /nfs/dbraw/zinc/39/86/82/326398682.db2.gz HWZOUPWIEAQBNO-UHFFFAOYSA-N 2 2 222.292 -0.265 20 0 BBADLP [NH3+]CCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000569340572 398105875 /nfs/dbraw/zinc/10/58/75/398105875.db2.gz QXNRFIWBIYARLE-LLVKDONJSA-N 3 2 240.351 -0.769 20 0 BBADLP [NH3+]CCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000569340572 398105870 /nfs/dbraw/zinc/10/58/70/398105870.db2.gz QXNRFIWBIYARLE-LLVKDONJSA-N 3 2 240.351 -0.769 20 0 BBADLP [NH3+]CCC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000569340573 398105921 /nfs/dbraw/zinc/10/59/21/398105921.db2.gz QXNRFIWBIYARLE-NSHDSACASA-N 3 2 240.351 -0.769 20 0 BBADLP [NH3+]CCC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000569340573 398105918 /nfs/dbraw/zinc/10/59/18/398105918.db2.gz QXNRFIWBIYARLE-NSHDSACASA-N 3 2 240.351 -0.769 20 0 BBADLP CC(=O)N1CC([NH2+]C2CC[NH+](C)CC2)C1 ZINC000569502276 384135686 /nfs/dbraw/zinc/13/56/86/384135686.db2.gz KRLNITSXNKZNBV-UHFFFAOYSA-N 2 2 211.309 -0.099 20 0 BBADLP Cn1c[nH+]cc1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000569537792 384190040 /nfs/dbraw/zinc/19/00/40/384190040.db2.gz UUFNOGROXRWZCC-SECBINFHSA-N 2 2 222.292 -0.012 20 0 BBADLP Cn1c[nH+]cc1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000569537792 384190037 /nfs/dbraw/zinc/19/00/37/384190037.db2.gz UUFNOGROXRWZCC-SECBINFHSA-N 2 2 222.292 -0.012 20 0 BBADLP Cn1c[nH+]cc1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000569537793 384189792 /nfs/dbraw/zinc/18/97/92/384189792.db2.gz UUFNOGROXRWZCC-VIFPVBQESA-N 2 2 222.292 -0.012 20 0 BBADLP Cn1c[nH+]cc1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000569537793 384189789 /nfs/dbraw/zinc/18/97/89/384189789.db2.gz UUFNOGROXRWZCC-VIFPVBQESA-N 2 2 222.292 -0.012 20 0 BBADLP CC[C@H](C(N)=O)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000569546160 384205644 /nfs/dbraw/zinc/20/56/44/384205644.db2.gz MIWOJQLDHAILFE-SECBINFHSA-N 2 2 237.307 -0.204 20 0 BBADLP CC[C@@H](C(N)=O)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000569546161 322969660 /nfs/dbraw/zinc/96/96/60/322969660.db2.gz MIWOJQLDHAILFE-VIFPVBQESA-N 2 2 237.307 -0.204 20 0 BBADLP NC(=O)CC[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000569577442 384273857 /nfs/dbraw/zinc/27/38/57/384273857.db2.gz PYQWSDMMTXHYHN-JTQLQIEISA-N 2 2 229.324 -0.702 20 0 BBADLP NC(=O)CC[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000569577442 384273855 /nfs/dbraw/zinc/27/38/55/384273855.db2.gz PYQWSDMMTXHYHN-JTQLQIEISA-N 2 2 229.324 -0.702 20 0 BBADLP NC(=O)CC[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000569577443 384273971 /nfs/dbraw/zinc/27/39/71/384273971.db2.gz PYQWSDMMTXHYHN-SNVBAGLBSA-N 2 2 229.324 -0.702 20 0 BBADLP NC(=O)CC[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000569577443 384273966 /nfs/dbraw/zinc/27/39/66/384273966.db2.gz PYQWSDMMTXHYHN-SNVBAGLBSA-N 2 2 229.324 -0.702 20 0 BBADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nnnn2C)C1 ZINC000569589095 384289407 /nfs/dbraw/zinc/28/94/07/384289407.db2.gz WVLRVPFFTHFNTL-SECBINFHSA-N 2 2 247.306 -0.067 20 0 BBADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nnnn2C)C1 ZINC000569589095 384289398 /nfs/dbraw/zinc/28/93/98/384289398.db2.gz WVLRVPFFTHFNTL-SECBINFHSA-N 2 2 247.306 -0.067 20 0 BBADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2nnnn2C)C1 ZINC000569589098 384289742 /nfs/dbraw/zinc/28/97/42/384289742.db2.gz WVLRVPFFTHFNTL-VIFPVBQESA-N 2 2 247.306 -0.067 20 0 BBADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2nnnn2C)C1 ZINC000569589098 384289733 /nfs/dbraw/zinc/28/97/33/384289733.db2.gz WVLRVPFFTHFNTL-VIFPVBQESA-N 2 2 247.306 -0.067 20 0 BBADLP CCCC[NH+](CC(N)=O)C[C@H](O)C[N@@H+](C)CC ZINC000569658219 323035739 /nfs/dbraw/zinc/03/57/39/323035739.db2.gz IGIMVKXLODDOMR-LLVKDONJSA-N 2 2 245.367 -0.114 20 0 BBADLP CCCC[NH+](CC(N)=O)C[C@H](O)C[N@H+](C)CC ZINC000569658219 323035738 /nfs/dbraw/zinc/03/57/38/323035738.db2.gz IGIMVKXLODDOMR-LLVKDONJSA-N 2 2 245.367 -0.114 20 0 BBADLP CCCC[N@H+](CC(N)=O)C[C@H](O)C[NH+](C)CC ZINC000569658219 323035737 /nfs/dbraw/zinc/03/57/37/323035737.db2.gz IGIMVKXLODDOMR-LLVKDONJSA-N 2 2 245.367 -0.114 20 0 BBADLP CCCC[N@@H+](CC(N)=O)C[C@H](O)C[NH+](C)CC ZINC000569658219 323035736 /nfs/dbraw/zinc/03/57/36/323035736.db2.gz IGIMVKXLODDOMR-LLVKDONJSA-N 2 2 245.367 -0.114 20 0 BBADLP CCCC[NH+](CC(N)=O)C[C@@H](O)C[N@@H+](C)CC ZINC000569658221 323035721 /nfs/dbraw/zinc/03/57/21/323035721.db2.gz IGIMVKXLODDOMR-NSHDSACASA-N 2 2 245.367 -0.114 20 0 BBADLP CCCC[NH+](CC(N)=O)C[C@@H](O)C[N@H+](C)CC ZINC000569658221 323035720 /nfs/dbraw/zinc/03/57/20/323035720.db2.gz IGIMVKXLODDOMR-NSHDSACASA-N 2 2 245.367 -0.114 20 0 BBADLP CCCC[N@H+](CC(N)=O)C[C@@H](O)C[NH+](C)CC ZINC000569658221 323035719 /nfs/dbraw/zinc/03/57/19/323035719.db2.gz IGIMVKXLODDOMR-NSHDSACASA-N 2 2 245.367 -0.114 20 0 BBADLP CCCC[N@@H+](CC(N)=O)C[C@@H](O)C[NH+](C)CC ZINC000569658221 323035718 /nfs/dbraw/zinc/03/57/18/323035718.db2.gz IGIMVKXLODDOMR-NSHDSACASA-N 2 2 245.367 -0.114 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(C(=O)N(C)C)CC1 ZINC000569821604 323041755 /nfs/dbraw/zinc/04/17/55/323041755.db2.gz AFLXESMQXJYTBG-JTQLQIEISA-N 2 2 243.351 -0.491 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(C(=O)N(C)C)CC1 ZINC000569821604 323041754 /nfs/dbraw/zinc/04/17/54/323041754.db2.gz AFLXESMQXJYTBG-JTQLQIEISA-N 2 2 243.351 -0.491 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(C(=O)N(C)C)CC1 ZINC000569821607 323041699 /nfs/dbraw/zinc/04/16/99/323041699.db2.gz AFLXESMQXJYTBG-SNVBAGLBSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH2+]C1(C(=O)N(C)C)CC1 ZINC000569821607 323041698 /nfs/dbraw/zinc/04/16/98/323041698.db2.gz AFLXESMQXJYTBG-SNVBAGLBSA-N 2 2 243.351 -0.491 20 0 BBADLP O=C(NCC[NH+]1CCOCC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000570164725 323051578 /nfs/dbraw/zinc/05/15/78/323051578.db2.gz IKYPPMRFTUFGTA-PWSUYJOCSA-N 2 2 239.319 -0.813 20 0 BBADLP Cn1nnnc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000570219327 323052923 /nfs/dbraw/zinc/05/29/23/323052923.db2.gz JMTUQAKOBSEYDP-UHFFFAOYSA-N 2 2 224.312 -0.229 20 0 BBADLP CS(=O)(=O)NCC1CC[NH+](CC[NH3+])CC1 ZINC000570281139 323054954 /nfs/dbraw/zinc/05/49/54/323054954.db2.gz YATDMUIHCOKVAS-UHFFFAOYSA-N 2 2 235.353 -0.794 20 0 BBADLP CCNS(=O)(=O)[C@H]1CC[N@@H+](CCC[NH2+]C)C1 ZINC000570451702 323060110 /nfs/dbraw/zinc/06/01/10/323060110.db2.gz ZTBBXIAPOHPCOR-JTQLQIEISA-N 2 2 249.380 -0.391 20 0 BBADLP CCNS(=O)(=O)[C@H]1CC[N@H+](CCC[NH2+]C)C1 ZINC000570451702 323060109 /nfs/dbraw/zinc/06/01/09/323060109.db2.gz ZTBBXIAPOHPCOR-JTQLQIEISA-N 2 2 249.380 -0.391 20 0 BBADLP CCNS(=O)(=O)[C@@H]1CC[N@@H+](CCC[NH2+]C)C1 ZINC000570451703 323060093 /nfs/dbraw/zinc/06/00/93/323060093.db2.gz ZTBBXIAPOHPCOR-SNVBAGLBSA-N 2 2 249.380 -0.391 20 0 BBADLP CCNS(=O)(=O)[C@@H]1CC[N@H+](CCC[NH2+]C)C1 ZINC000570451703 323060092 /nfs/dbraw/zinc/06/00/92/323060092.db2.gz ZTBBXIAPOHPCOR-SNVBAGLBSA-N 2 2 249.380 -0.391 20 0 BBADLP CCC[NH+](CC(=O)NC)C[C@H](O)C[N@@H+](C)CC ZINC000570469394 323060593 /nfs/dbraw/zinc/06/05/93/323060593.db2.gz APWLEJZUZMWHSY-LLVKDONJSA-N 2 2 245.367 -0.243 20 0 BBADLP CCC[NH+](CC(=O)NC)C[C@H](O)C[N@H+](C)CC ZINC000570469394 323060592 /nfs/dbraw/zinc/06/05/92/323060592.db2.gz APWLEJZUZMWHSY-LLVKDONJSA-N 2 2 245.367 -0.243 20 0 BBADLP CCC[N@H+](CC(=O)NC)C[C@H](O)C[NH+](C)CC ZINC000570469394 323060591 /nfs/dbraw/zinc/06/05/91/323060591.db2.gz APWLEJZUZMWHSY-LLVKDONJSA-N 2 2 245.367 -0.243 20 0 BBADLP CCC[N@@H+](CC(=O)NC)C[C@H](O)C[NH+](C)CC ZINC000570469394 323060590 /nfs/dbraw/zinc/06/05/90/323060590.db2.gz APWLEJZUZMWHSY-LLVKDONJSA-N 2 2 245.367 -0.243 20 0 BBADLP CCC[NH+](CC(=O)NC)C[C@@H](O)C[N@@H+](C)CC ZINC000570469395 323060639 /nfs/dbraw/zinc/06/06/39/323060639.db2.gz APWLEJZUZMWHSY-NSHDSACASA-N 2 2 245.367 -0.243 20 0 BBADLP CCC[NH+](CC(=O)NC)C[C@@H](O)C[N@H+](C)CC ZINC000570469395 323060638 /nfs/dbraw/zinc/06/06/38/323060638.db2.gz APWLEJZUZMWHSY-NSHDSACASA-N 2 2 245.367 -0.243 20 0 BBADLP CCC[N@H+](CC(=O)NC)C[C@@H](O)C[NH+](C)CC ZINC000570469395 323060637 /nfs/dbraw/zinc/06/06/37/323060637.db2.gz APWLEJZUZMWHSY-NSHDSACASA-N 2 2 245.367 -0.243 20 0 BBADLP CCC[N@@H+](CC(=O)NC)C[C@@H](O)C[NH+](C)CC ZINC000570469395 323060636 /nfs/dbraw/zinc/06/06/36/323060636.db2.gz APWLEJZUZMWHSY-NSHDSACASA-N 2 2 245.367 -0.243 20 0 BBADLP COCC[NH+]1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000570517199 323061657 /nfs/dbraw/zinc/06/16/57/323061657.db2.gz CPXPIOAHXDRJAA-UHFFFAOYSA-N 2 2 241.335 -0.471 20 0 BBADLP OCCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000570812540 323071175 /nfs/dbraw/zinc/07/11/75/323071175.db2.gz CMWLKBFHISPHEB-UHFFFAOYSA-N 2 2 210.281 -0.086 20 0 BBADLP C[C@@H](C[NH2+]CCC(N)=O)C[NH+]1CCOCC1 ZINC000570837552 323072144 /nfs/dbraw/zinc/07/21/44/323072144.db2.gz UHXVCIIPWIXWDV-JTQLQIEISA-N 2 2 229.324 -0.580 20 0 BBADLP C[C@H](C[NH2+]CCC(N)=O)C[NH+]1CCOCC1 ZINC000570837556 323072276 /nfs/dbraw/zinc/07/22/76/323072276.db2.gz UHXVCIIPWIXWDV-SNVBAGLBSA-N 2 2 229.324 -0.580 20 0 BBADLP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)C(F)(F)F ZINC000571088367 323135035 /nfs/dbraw/zinc/13/50/35/323135035.db2.gz OMZWIXLIXPTCHO-NTSWFWBYSA-N 2 2 216.203 -0.921 20 0 BBADLP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)C(F)(F)F ZINC000571088375 323135097 /nfs/dbraw/zinc/13/50/97/323135097.db2.gz OMZWIXLIXPTCHO-PHDIDXHHSA-N 2 2 216.203 -0.921 20 0 BBADLP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)C(F)(F)F ZINC000571088376 323135006 /nfs/dbraw/zinc/13/50/06/323135006.db2.gz OMZWIXLIXPTCHO-RITPCOANSA-N 2 2 216.203 -0.921 20 0 BBADLP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)C(F)(F)F ZINC000571088379 323135184 /nfs/dbraw/zinc/13/51/84/323135184.db2.gz OMZWIXLIXPTCHO-WDSKDSINSA-N 2 2 216.203 -0.921 20 0 BBADLP COC[C@@](C)(CC(=O)OC)[NH2+]CC[NH3+] ZINC000571284533 323140308 /nfs/dbraw/zinc/14/03/08/323140308.db2.gz BNODLSWOUWWGIQ-SECBINFHSA-N 2 2 204.270 -0.497 20 0 BBADLP COC[C@](C)(CC(=O)OC)[NH2+]CC[NH3+] ZINC000571284534 323140270 /nfs/dbraw/zinc/14/02/70/323140270.db2.gz BNODLSWOUWWGIQ-VIFPVBQESA-N 2 2 204.270 -0.497 20 0 BBADLP [NH3+]CC[N@@H+](CCO)CC[C@@H]1CC[NH2+]C1 ZINC000571325275 323141472 /nfs/dbraw/zinc/14/14/72/323141472.db2.gz CNAHTNDUDMEVQN-JTQLQIEISA-N 3 2 201.314 -0.761 20 0 BBADLP [NH3+]CC[N@H+](CCO)CC[C@@H]1CC[NH2+]C1 ZINC000571325275 323141471 /nfs/dbraw/zinc/14/14/71/323141471.db2.gz CNAHTNDUDMEVQN-JTQLQIEISA-N 3 2 201.314 -0.761 20 0 BBADLP [NH3+]CC[N@@H+](CCO)CC[C@H]1CC[NH2+]C1 ZINC000571325282 323141425 /nfs/dbraw/zinc/14/14/25/323141425.db2.gz CNAHTNDUDMEVQN-SNVBAGLBSA-N 3 2 201.314 -0.761 20 0 BBADLP [NH3+]CC[N@H+](CCO)CC[C@H]1CC[NH2+]C1 ZINC000571325282 323141424 /nfs/dbraw/zinc/14/14/24/323141424.db2.gz CNAHTNDUDMEVQN-SNVBAGLBSA-N 3 2 201.314 -0.761 20 0 BBADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000571325305 323141482 /nfs/dbraw/zinc/14/14/82/323141482.db2.gz DULNRZKJOJLALV-QWRGUYRKSA-N 3 2 240.351 -0.770 20 0 BBADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000571325305 323141481 /nfs/dbraw/zinc/14/14/81/323141481.db2.gz DULNRZKJOJLALV-QWRGUYRKSA-N 3 2 240.351 -0.770 20 0 BBADLP C[C@@H]1C[N@@H+](CCNC(=O)C(C)(C)[NH3+])CCO1 ZINC000571331309 323141699 /nfs/dbraw/zinc/14/16/99/323141699.db2.gz QHGCXUZFXJDLBA-SECBINFHSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@@H]1C[N@H+](CCNC(=O)C(C)(C)[NH3+])CCO1 ZINC000571331309 323141698 /nfs/dbraw/zinc/14/16/98/323141698.db2.gz QHGCXUZFXJDLBA-SECBINFHSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@H]1C[N@@H+](CCNC(=O)C(C)(C)[NH3+])CCO1 ZINC000571331313 323141688 /nfs/dbraw/zinc/14/16/88/323141688.db2.gz QHGCXUZFXJDLBA-VIFPVBQESA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@H]1C[N@H+](CCNC(=O)C(C)(C)[NH3+])CCO1 ZINC000571331313 323141687 /nfs/dbraw/zinc/14/16/87/323141687.db2.gz QHGCXUZFXJDLBA-VIFPVBQESA-N 2 2 229.324 -0.439 20 0 BBADLP COCCC[N@@H+](C)CC[NH2+]CCC(N)=O ZINC000571516754 351076705 /nfs/dbraw/zinc/07/67/05/351076705.db2.gz RDUYKQVBDPBCJY-UHFFFAOYSA-N 2 2 217.313 -0.580 20 0 BBADLP COCCC[N@H+](C)CC[NH2+]CCC(N)=O ZINC000571516754 351076700 /nfs/dbraw/zinc/07/67/00/351076700.db2.gz RDUYKQVBDPBCJY-UHFFFAOYSA-N 2 2 217.313 -0.580 20 0 BBADLP COC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000571522068 323146766 /nfs/dbraw/zinc/14/67/66/323146766.db2.gz VZWBWWPZDFVQDP-PWSUYJOCSA-N 2 2 242.319 -0.012 20 0 BBADLP C[C@@H](CO)[NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000571523606 323147348 /nfs/dbraw/zinc/14/73/48/323147348.db2.gz LMWVTTVCAFYFJP-IRCOFANPSA-N 2 2 246.351 -0.573 20 0 BBADLP C[C@@H](CO)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571523609 323147423 /nfs/dbraw/zinc/14/74/23/323147423.db2.gz LMWVTTVCAFYFJP-NNYUYHANSA-N 2 2 246.351 -0.573 20 0 BBADLP C[C@@H](CO)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571523609 323147422 /nfs/dbraw/zinc/14/74/22/323147422.db2.gz LMWVTTVCAFYFJP-NNYUYHANSA-N 2 2 246.351 -0.573 20 0 BBADLP C[C@@H](CO)[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000571523610 323147361 /nfs/dbraw/zinc/14/73/61/323147361.db2.gz LMWVTTVCAFYFJP-QCNOEVLYSA-N 2 2 246.351 -0.573 20 0 BBADLP C[C@@H](CO)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571523611 323147355 /nfs/dbraw/zinc/14/73/55/323147355.db2.gz LMWVTTVCAFYFJP-YFKTTZPYSA-N 2 2 246.351 -0.573 20 0 BBADLP C[C@@H](CO)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571523611 323147354 /nfs/dbraw/zinc/14/73/54/323147354.db2.gz LMWVTTVCAFYFJP-YFKTTZPYSA-N 2 2 246.351 -0.573 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C1(CO)CC1 ZINC000571578634 323148293 /nfs/dbraw/zinc/14/82/93/323148293.db2.gz TVKGAIZGEXYLGZ-LLVKDONJSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C1(CO)CC1 ZINC000571578634 323148292 /nfs/dbraw/zinc/14/82/92/323148292.db2.gz TVKGAIZGEXYLGZ-LLVKDONJSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C1(CO)CC1 ZINC000571578634 323148291 /nfs/dbraw/zinc/14/82/91/323148291.db2.gz TVKGAIZGEXYLGZ-LLVKDONJSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C1(CO)CC1 ZINC000571578634 323148290 /nfs/dbraw/zinc/14/82/90/323148290.db2.gz TVKGAIZGEXYLGZ-LLVKDONJSA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C1(CO)CC1 ZINC000571578635 323148422 /nfs/dbraw/zinc/14/84/22/323148422.db2.gz TVKGAIZGEXYLGZ-NSHDSACASA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C1(CO)CC1 ZINC000571578635 323148421 /nfs/dbraw/zinc/14/84/21/323148421.db2.gz TVKGAIZGEXYLGZ-NSHDSACASA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C1(CO)CC1 ZINC000571578635 323148420 /nfs/dbraw/zinc/14/84/20/323148420.db2.gz TVKGAIZGEXYLGZ-NSHDSACASA-N 2 2 246.351 -0.618 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C1(CO)CC1 ZINC000571578635 323148419 /nfs/dbraw/zinc/14/84/19/323148419.db2.gz TVKGAIZGEXYLGZ-NSHDSACASA-N 2 2 246.351 -0.618 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+](CC(N)=O)C(C)C ZINC000571723443 387153221 /nfs/dbraw/zinc/15/32/21/387153221.db2.gz OUWOBAYZCUYNQD-JTQLQIEISA-N 2 2 231.340 -0.505 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+](CC(N)=O)C(C)C ZINC000571723443 387153219 /nfs/dbraw/zinc/15/32/19/387153219.db2.gz OUWOBAYZCUYNQD-JTQLQIEISA-N 2 2 231.340 -0.505 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+](CC(N)=O)C(C)C ZINC000571723443 387153214 /nfs/dbraw/zinc/15/32/14/387153214.db2.gz OUWOBAYZCUYNQD-JTQLQIEISA-N 2 2 231.340 -0.505 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+](CC(N)=O)C(C)C ZINC000571723443 387153211 /nfs/dbraw/zinc/15/32/11/387153211.db2.gz OUWOBAYZCUYNQD-JTQLQIEISA-N 2 2 231.340 -0.505 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CC(N)=O)C(C)C ZINC000571723444 387152971 /nfs/dbraw/zinc/15/29/71/387152971.db2.gz OUWOBAYZCUYNQD-SNVBAGLBSA-N 2 2 231.340 -0.505 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+](CC(N)=O)C(C)C ZINC000571723444 387152966 /nfs/dbraw/zinc/15/29/66/387152966.db2.gz OUWOBAYZCUYNQD-SNVBAGLBSA-N 2 2 231.340 -0.505 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+](CC(N)=O)C(C)C ZINC000571723444 387152959 /nfs/dbraw/zinc/15/29/59/387152959.db2.gz OUWOBAYZCUYNQD-SNVBAGLBSA-N 2 2 231.340 -0.505 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+](CC(N)=O)C(C)C ZINC000571723444 387152954 /nfs/dbraw/zinc/15/29/54/387152954.db2.gz OUWOBAYZCUYNQD-SNVBAGLBSA-N 2 2 231.340 -0.505 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CC(C)(CO)CO ZINC000571742488 387167334 /nfs/dbraw/zinc/16/73/34/387167334.db2.gz XVOYOTYGLLLAMH-LLVKDONJSA-N 2 2 248.367 -0.778 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)CC(C)(CO)CO ZINC000571742488 387167329 /nfs/dbraw/zinc/16/73/29/387167329.db2.gz XVOYOTYGLLLAMH-LLVKDONJSA-N 2 2 248.367 -0.778 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CC(C)(CO)CO ZINC000571742488 387167327 /nfs/dbraw/zinc/16/73/27/387167327.db2.gz XVOYOTYGLLLAMH-LLVKDONJSA-N 2 2 248.367 -0.778 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)CC(C)(CO)CO ZINC000571742488 387167324 /nfs/dbraw/zinc/16/73/24/387167324.db2.gz XVOYOTYGLLLAMH-LLVKDONJSA-N 2 2 248.367 -0.778 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)CC(C)(CO)CO ZINC000571742489 387167113 /nfs/dbraw/zinc/16/71/13/387167113.db2.gz XVOYOTYGLLLAMH-NSHDSACASA-N 2 2 248.367 -0.778 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+](C)CC(C)(CO)CO ZINC000571742489 387167111 /nfs/dbraw/zinc/16/71/11/387167111.db2.gz XVOYOTYGLLLAMH-NSHDSACASA-N 2 2 248.367 -0.778 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)CC(C)(CO)CO ZINC000571742489 387167108 /nfs/dbraw/zinc/16/71/08/387167108.db2.gz XVOYOTYGLLLAMH-NSHDSACASA-N 2 2 248.367 -0.778 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+](C)CC(C)(CO)CO ZINC000571742489 387167104 /nfs/dbraw/zinc/16/71/04/387167104.db2.gz XVOYOTYGLLLAMH-NSHDSACASA-N 2 2 248.367 -0.778 20 0 BBADLP [NH3+]C[C@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000571762704 387163137 /nfs/dbraw/zinc/16/31/37/387163137.db2.gz FKBUXABVRSEQQC-LLVKDONJSA-N 3 2 212.341 -0.685 20 0 BBADLP [NH3+]C[C@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000571762704 387163129 /nfs/dbraw/zinc/16/31/29/387163129.db2.gz FKBUXABVRSEQQC-LLVKDONJSA-N 3 2 212.341 -0.685 20 0 BBADLP C[N@@H+](CCOCC[NH3+])C1(C[NH3+])CCC1 ZINC000571882543 387191390 /nfs/dbraw/zinc/19/13/90/387191390.db2.gz DZBVOXCICXHLDJ-UHFFFAOYSA-N 3 2 201.314 -0.225 20 0 BBADLP C[N@H+](CCOCC[NH3+])C1(C[NH3+])CCC1 ZINC000571882543 387191386 /nfs/dbraw/zinc/19/13/86/387191386.db2.gz DZBVOXCICXHLDJ-UHFFFAOYSA-N 3 2 201.314 -0.225 20 0 BBADLP C[N@H+]1CCN(C(=O)NCC2CC2)[C@@H](C[NH3+])C1 ZINC000571983729 387214863 /nfs/dbraw/zinc/21/48/63/387214863.db2.gz GAVVVSXRCNADAB-JTQLQIEISA-N 2 2 226.324 -0.319 20 0 BBADLP C[N@@H+]1CCN(C(=O)NCC2CC2)[C@@H](C[NH3+])C1 ZINC000571983729 387214861 /nfs/dbraw/zinc/21/48/61/387214861.db2.gz GAVVVSXRCNADAB-JTQLQIEISA-N 2 2 226.324 -0.319 20 0 BBADLP C[N@H+]1CCN(C(=O)NCC2CC2)[C@H](C[NH3+])C1 ZINC000571983730 387214822 /nfs/dbraw/zinc/21/48/22/387214822.db2.gz GAVVVSXRCNADAB-SNVBAGLBSA-N 2 2 226.324 -0.319 20 0 BBADLP C[N@@H+]1CCN(C(=O)NCC2CC2)[C@H](C[NH3+])C1 ZINC000571983730 387214820 /nfs/dbraw/zinc/21/48/20/387214820.db2.gz GAVVVSXRCNADAB-SNVBAGLBSA-N 2 2 226.324 -0.319 20 0 BBADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)CC1(C[NH3+])CC1 ZINC000572000588 387216721 /nfs/dbraw/zinc/21/67/21/387216721.db2.gz JPRAMEVQPVGERQ-UHFFFAOYSA-N 3 2 240.351 -0.911 20 0 BBADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)CC1(C[NH3+])CC1 ZINC000572000588 387216714 /nfs/dbraw/zinc/21/67/14/387216714.db2.gz JPRAMEVQPVGERQ-UHFFFAOYSA-N 3 2 240.351 -0.911 20 0 BBADLP COC[C@@](C)(CC(=O)OC)[NH2+]C[C@@H](C)[NH3+] ZINC000572038327 387223647 /nfs/dbraw/zinc/22/36/47/387223647.db2.gz YKLVSHIWPRVLKI-PSASIEDQSA-N 2 2 218.297 -0.109 20 0 BBADLP COC[C@](C)(CC(=O)OC)[NH2+]C[C@@H](C)[NH3+] ZINC000572038328 323528291 /nfs/dbraw/zinc/52/82/91/323528291.db2.gz YKLVSHIWPRVLKI-SCZZXKLOSA-N 2 2 218.297 -0.109 20 0 BBADLP COC[C@@](C)(CC(=O)OC)[NH2+]C[C@H](C)[NH3+] ZINC000572038329 323528493 /nfs/dbraw/zinc/52/84/93/323528493.db2.gz YKLVSHIWPRVLKI-WCBMZHEXSA-N 2 2 218.297 -0.109 20 0 BBADLP COC[C@](C)(CC(=O)OC)[NH2+]C[C@H](C)[NH3+] ZINC000572038330 387224256 /nfs/dbraw/zinc/22/42/56/387224256.db2.gz YKLVSHIWPRVLKI-WPRPVWTQSA-N 2 2 218.297 -0.109 20 0 BBADLP C[NH2+]CCCC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000572043499 387220267 /nfs/dbraw/zinc/22/02/67/387220267.db2.gz KIALSRCCZIDXIV-LLVKDONJSA-N 2 2 243.351 -0.177 20 0 BBADLP C[NH2+]CCCC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000572043499 387220261 /nfs/dbraw/zinc/22/02/61/387220261.db2.gz KIALSRCCZIDXIV-LLVKDONJSA-N 2 2 243.351 -0.177 20 0 BBADLP C[NH2+]CCCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000572043501 387220802 /nfs/dbraw/zinc/22/08/02/387220802.db2.gz KIALSRCCZIDXIV-NSHDSACASA-N 2 2 243.351 -0.177 20 0 BBADLP C[NH2+]CCCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000572043501 387220800 /nfs/dbraw/zinc/22/08/00/387220800.db2.gz KIALSRCCZIDXIV-NSHDSACASA-N 2 2 243.351 -0.177 20 0 BBADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000572131801 387246667 /nfs/dbraw/zinc/24/66/67/387246667.db2.gz OJINZFFXBVPEHX-BDAKNGLRSA-N 2 2 248.286 -0.376 20 0 BBADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000572131801 387246664 /nfs/dbraw/zinc/24/66/64/387246664.db2.gz OJINZFFXBVPEHX-BDAKNGLRSA-N 2 2 248.286 -0.376 20 0 BBADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000572131802 387245135 /nfs/dbraw/zinc/24/51/35/387245135.db2.gz OJINZFFXBVPEHX-DTWKUNHWSA-N 2 2 248.286 -0.376 20 0 BBADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000572131802 387245129 /nfs/dbraw/zinc/24/51/29/387245129.db2.gz OJINZFFXBVPEHX-DTWKUNHWSA-N 2 2 248.286 -0.376 20 0 BBADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000572131803 387245466 /nfs/dbraw/zinc/24/54/66/387245466.db2.gz OJINZFFXBVPEHX-IUCAKERBSA-N 2 2 248.286 -0.376 20 0 BBADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000572131803 387245463 /nfs/dbraw/zinc/24/54/63/387245463.db2.gz OJINZFFXBVPEHX-IUCAKERBSA-N 2 2 248.286 -0.376 20 0 BBADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000572131804 387245979 /nfs/dbraw/zinc/24/59/79/387245979.db2.gz OJINZFFXBVPEHX-RKDXNWHRSA-N 2 2 248.286 -0.376 20 0 BBADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000572131804 387245973 /nfs/dbraw/zinc/24/59/73/387245973.db2.gz OJINZFFXBVPEHX-RKDXNWHRSA-N 2 2 248.286 -0.376 20 0 BBADLP Nc1nc(-n2cccn2)cc(N[C@H]2CC[NH2+]C2)[nH+]1 ZINC000572135819 411974656 /nfs/dbraw/zinc/97/46/56/411974656.db2.gz MOLCJINBHGZJIN-QMMMGPOBSA-N 2 2 245.290 0.018 20 0 BBADLP C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000572241467 387285456 /nfs/dbraw/zinc/28/54/56/387285456.db2.gz WPBPXTCLMMANAD-HTQZYQBOSA-N 2 2 235.278 -0.045 20 0 BBADLP C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000572241468 323577652 /nfs/dbraw/zinc/57/76/52/323577652.db2.gz WPBPXTCLMMANAD-JGVFFNPUSA-N 2 2 235.278 -0.045 20 0 BBADLP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000572241469 323577526 /nfs/dbraw/zinc/57/75/26/323577526.db2.gz WPBPXTCLMMANAD-SFYZADRCSA-N 2 2 235.278 -0.045 20 0 BBADLP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000572241470 387285781 /nfs/dbraw/zinc/28/57/81/387285781.db2.gz WPBPXTCLMMANAD-YUMQZZPRSA-N 2 2 235.278 -0.045 20 0 BBADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@H]2[NH3+])CCO1 ZINC000572290190 387319406 /nfs/dbraw/zinc/31/94/06/387319406.db2.gz JFMHJJPAEDUPLC-AEJSXWLSSA-N 2 2 227.308 -0.830 20 0 BBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@H]2[NH3+])CCO1 ZINC000572290191 387318363 /nfs/dbraw/zinc/31/83/63/387318363.db2.gz JFMHJJPAEDUPLC-BBBLOLIVSA-N 2 2 227.308 -0.830 20 0 BBADLP COc1cc[nH+]c(Cn2nnnc2C[NH3+])c1 ZINC000572400073 323621096 /nfs/dbraw/zinc/62/10/96/323621096.db2.gz OENFIBWEZFJDJL-UHFFFAOYSA-N 2 2 220.236 -0.416 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000572413644 387409498 /nfs/dbraw/zinc/40/94/98/387409498.db2.gz NNHHCFGGFHKKHH-SRVKXCTJSA-N 2 2 246.351 -0.308 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000572413644 387409493 /nfs/dbraw/zinc/40/94/93/387409493.db2.gz NNHHCFGGFHKKHH-SRVKXCTJSA-N 2 2 246.351 -0.308 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000572413645 387411433 /nfs/dbraw/zinc/41/14/33/387411433.db2.gz NNHHCFGGFHKKHH-TUAOUCFPSA-N 2 2 246.351 -0.308 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000572413645 387411432 /nfs/dbraw/zinc/41/14/32/387411432.db2.gz NNHHCFGGFHKKHH-TUAOUCFPSA-N 2 2 246.351 -0.308 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000572413646 387409579 /nfs/dbraw/zinc/40/95/79/387409579.db2.gz NNHHCFGGFHKKHH-UTUOFQBUSA-N 2 2 246.351 -0.308 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000572413646 387409575 /nfs/dbraw/zinc/40/95/75/387409575.db2.gz NNHHCFGGFHKKHH-UTUOFQBUSA-N 2 2 246.351 -0.308 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000572413647 387411045 /nfs/dbraw/zinc/41/10/45/387411045.db2.gz NNHHCFGGFHKKHH-WOPDTQHZSA-N 2 2 246.351 -0.308 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000572413647 387411042 /nfs/dbraw/zinc/41/10/42/387411042.db2.gz NNHHCFGGFHKKHH-WOPDTQHZSA-N 2 2 246.351 -0.308 20 0 BBADLP Cn1nnnc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000572483495 324124990 /nfs/dbraw/zinc/12/49/90/324124990.db2.gz APVOZLWQVHUHRH-AEJSXWLSSA-N 2 2 236.323 -0.231 20 0 BBADLP Cn1nnnc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000572483495 324124985 /nfs/dbraw/zinc/12/49/85/324124985.db2.gz APVOZLWQVHUHRH-AEJSXWLSSA-N 2 2 236.323 -0.231 20 0 BBADLP Cn1nnnc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000572483496 324124938 /nfs/dbraw/zinc/12/49/38/324124938.db2.gz APVOZLWQVHUHRH-GUBZILKMSA-N 2 2 236.323 -0.231 20 0 BBADLP Cn1nnnc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000572483496 324124934 /nfs/dbraw/zinc/12/49/34/324124934.db2.gz APVOZLWQVHUHRH-GUBZILKMSA-N 2 2 236.323 -0.231 20 0 BBADLP Cn1nnnc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000572483497 324125003 /nfs/dbraw/zinc/12/50/03/324125003.db2.gz APVOZLWQVHUHRH-IVZWLZJFSA-N 2 2 236.323 -0.231 20 0 BBADLP Cn1nnnc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000572483497 324124998 /nfs/dbraw/zinc/12/49/98/324124998.db2.gz APVOZLWQVHUHRH-IVZWLZJFSA-N 2 2 236.323 -0.231 20 0 BBADLP Cn1nnnc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000572483498 324124952 /nfs/dbraw/zinc/12/49/52/324124952.db2.gz APVOZLWQVHUHRH-LPEHRKFASA-N 2 2 236.323 -0.231 20 0 BBADLP Cn1nnnc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000572483498 324124946 /nfs/dbraw/zinc/12/49/46/324124946.db2.gz APVOZLWQVHUHRH-LPEHRKFASA-N 2 2 236.323 -0.231 20 0 BBADLP [NH3+][C@@H](C(=O)N1CC[NH2+]CC1)c1cscn1 ZINC000572597896 388359460 /nfs/dbraw/zinc/35/94/60/388359460.db2.gz RUWKRDPMBVHPQE-MRVPVSSYSA-N 2 2 226.305 -0.425 20 0 BBADLP [NH3+][C@H](C(=O)N1CC[NH2+]CC1)c1cscn1 ZINC000572597897 388359985 /nfs/dbraw/zinc/35/99/85/388359985.db2.gz RUWKRDPMBVHPQE-QMMMGPOBSA-N 2 2 226.305 -0.425 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H]1CCC[NH2+]C1 ZINC000572643081 388363141 /nfs/dbraw/zinc/36/31/41/388363141.db2.gz IPWZZIACQMEKQD-NXEZZACHSA-N 3 2 201.314 -0.763 20 0 BBADLP C[N@H+](C[C@H](O)C[NH3+])C[C@@H]1CCC[NH2+]C1 ZINC000572643081 388363139 /nfs/dbraw/zinc/36/31/39/388363139.db2.gz IPWZZIACQMEKQD-NXEZZACHSA-N 3 2 201.314 -0.763 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH3+])C[C@H]1CCC[NH2+]C1 ZINC000572643082 388362955 /nfs/dbraw/zinc/36/29/55/388362955.db2.gz IPWZZIACQMEKQD-UWVGGRQHSA-N 3 2 201.314 -0.763 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH3+])C[C@H]1CCC[NH2+]C1 ZINC000572643082 388362953 /nfs/dbraw/zinc/36/29/53/388362953.db2.gz IPWZZIACQMEKQD-UWVGGRQHSA-N 3 2 201.314 -0.763 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH3+])C[C@H]1CCC[NH2+]C1 ZINC000572643083 388361510 /nfs/dbraw/zinc/36/15/10/388361510.db2.gz IPWZZIACQMEKQD-VHSXEESVSA-N 3 2 201.314 -0.763 20 0 BBADLP C[N@H+](C[C@H](O)C[NH3+])C[C@H]1CCC[NH2+]C1 ZINC000572643083 388361508 /nfs/dbraw/zinc/36/15/08/388361508.db2.gz IPWZZIACQMEKQD-VHSXEESVSA-N 3 2 201.314 -0.763 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH3+])C[C@@H]1CCC[NH2+]C1 ZINC000572643084 388361881 /nfs/dbraw/zinc/36/18/81/388361881.db2.gz IPWZZIACQMEKQD-ZJUUUORDSA-N 3 2 201.314 -0.763 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH3+])C[C@@H]1CCC[NH2+]C1 ZINC000572643084 388361879 /nfs/dbraw/zinc/36/18/79/388361879.db2.gz IPWZZIACQMEKQD-ZJUUUORDSA-N 3 2 201.314 -0.763 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000572652204 388363239 /nfs/dbraw/zinc/36/32/39/388363239.db2.gz NFQHBJCDGCAAAS-AXFHLTTASA-N 3 2 213.325 -0.892 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000572652204 388363237 /nfs/dbraw/zinc/36/32/37/388363237.db2.gz NFQHBJCDGCAAAS-AXFHLTTASA-N 3 2 213.325 -0.892 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000572652205 388362727 /nfs/dbraw/zinc/36/27/27/388362727.db2.gz NFQHBJCDGCAAAS-OUAUKWLOSA-N 3 2 213.325 -0.892 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000572652205 388362725 /nfs/dbraw/zinc/36/27/25/388362725.db2.gz NFQHBJCDGCAAAS-OUAUKWLOSA-N 3 2 213.325 -0.892 20 0 BBADLP CN(CC[NH+](C)C)C(=O)Cn1cc[nH+]c1 ZINC000572691454 388366250 /nfs/dbraw/zinc/36/62/50/388366250.db2.gz LGFNUXBCZAJRCP-UHFFFAOYSA-N 2 2 210.281 -0.097 20 0 BBADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000572713234 388368370 /nfs/dbraw/zinc/36/83/70/388368370.db2.gz WRXFRLREROEEJG-JHJVBQTASA-N 3 2 240.395 -0.003 20 0 BBADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000572713235 388368526 /nfs/dbraw/zinc/36/85/26/388368526.db2.gz WRXFRLREROEEJG-UPJWGTAASA-N 3 2 240.395 -0.003 20 0 BBADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000572713236 388369998 /nfs/dbraw/zinc/36/99/98/388369998.db2.gz WRXFRLREROEEJG-XQQFMLRXSA-N 3 2 240.395 -0.003 20 0 BBADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000572713237 388370298 /nfs/dbraw/zinc/37/02/98/388370298.db2.gz WRXFRLREROEEJG-YNEHKIRRSA-N 3 2 240.395 -0.003 20 0 BBADLP [NH3+]CC[N@@H+](CCO)CC[C@@H]1CCCO1 ZINC000572763811 323060557 /nfs/dbraw/zinc/06/05/57/323060557.db2.gz BANQMVXXQTYDSG-JTQLQIEISA-N 2 2 202.298 -0.192 20 0 BBADLP [NH3+]CC[N@H+](CCO)CC[C@@H]1CCCO1 ZINC000572763811 323060556 /nfs/dbraw/zinc/06/05/56/323060556.db2.gz BANQMVXXQTYDSG-JTQLQIEISA-N 2 2 202.298 -0.192 20 0 BBADLP [NH3+]CC[N@@H+](CCO)CC[C@H]1CCCO1 ZINC000572763812 323060655 /nfs/dbraw/zinc/06/06/55/323060655.db2.gz BANQMVXXQTYDSG-SNVBAGLBSA-N 2 2 202.298 -0.192 20 0 BBADLP [NH3+]CC[N@H+](CCO)CC[C@H]1CCCO1 ZINC000572763812 323060654 /nfs/dbraw/zinc/06/06/54/323060654.db2.gz BANQMVXXQTYDSG-SNVBAGLBSA-N 2 2 202.298 -0.192 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1cnn(C)c1 ZINC000572847450 388380922 /nfs/dbraw/zinc/38/09/22/388380922.db2.gz BMUYPTUIELLBTL-LLVKDONJSA-N 2 2 226.324 -0.178 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1cnn(C)c1 ZINC000572847450 388380921 /nfs/dbraw/zinc/38/09/21/388380921.db2.gz BMUYPTUIELLBTL-LLVKDONJSA-N 2 2 226.324 -0.178 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1cnn(C)c1 ZINC000572847451 388380623 /nfs/dbraw/zinc/38/06/23/388380623.db2.gz BMUYPTUIELLBTL-NSHDSACASA-N 2 2 226.324 -0.178 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1cnn(C)c1 ZINC000572847451 388380621 /nfs/dbraw/zinc/38/06/21/388380621.db2.gz BMUYPTUIELLBTL-NSHDSACASA-N 2 2 226.324 -0.178 20 0 BBADLP C[N@H+]1CCN(C(=O)COCC2CC2)[C@H](C[NH3+])C1 ZINC000572999318 388404334 /nfs/dbraw/zinc/40/43/34/388404334.db2.gz RGCPAISIHPZMCU-LLVKDONJSA-N 2 2 241.335 -0.486 20 0 BBADLP C[N@@H+]1CCN(C(=O)COCC2CC2)[C@H](C[NH3+])C1 ZINC000572999318 388404333 /nfs/dbraw/zinc/40/43/33/388404333.db2.gz RGCPAISIHPZMCU-LLVKDONJSA-N 2 2 241.335 -0.486 20 0 BBADLP C[N@H+]1CCN(C(=O)COCC2CC2)[C@@H](C[NH3+])C1 ZINC000572999319 388404386 /nfs/dbraw/zinc/40/43/86/388404386.db2.gz RGCPAISIHPZMCU-NSHDSACASA-N 2 2 241.335 -0.486 20 0 BBADLP C[N@@H+]1CCN(C(=O)COCC2CC2)[C@@H](C[NH3+])C1 ZINC000572999319 388404384 /nfs/dbraw/zinc/40/43/84/388404384.db2.gz RGCPAISIHPZMCU-NSHDSACASA-N 2 2 241.335 -0.486 20 0 BBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC000573001533 388404865 /nfs/dbraw/zinc/40/48/65/388404865.db2.gz STDXREJQCMJMEH-NSHDSACASA-N 3 2 240.351 -0.817 20 0 BBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC000573001533 388404862 /nfs/dbraw/zinc/40/48/62/388404862.db2.gz STDXREJQCMJMEH-NSHDSACASA-N 3 2 240.351 -0.817 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CC(=O)NC(C)C ZINC000573007805 388405749 /nfs/dbraw/zinc/40/57/49/388405749.db2.gz KHZPCCJFWMBMRF-LLVKDONJSA-N 2 2 231.340 -0.587 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)CC(=O)NC(C)C ZINC000573007805 388405747 /nfs/dbraw/zinc/40/57/47/388405747.db2.gz KHZPCCJFWMBMRF-LLVKDONJSA-N 2 2 231.340 -0.587 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)CC(=O)NC(C)C ZINC000573007807 388405828 /nfs/dbraw/zinc/40/58/28/388405828.db2.gz KHZPCCJFWMBMRF-NSHDSACASA-N 2 2 231.340 -0.587 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+](C)CC(=O)NC(C)C ZINC000573007807 388405826 /nfs/dbraw/zinc/40/58/26/388405826.db2.gz KHZPCCJFWMBMRF-NSHDSACASA-N 2 2 231.340 -0.587 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000573207353 388433129 /nfs/dbraw/zinc/43/31/29/388433129.db2.gz OOOPQHPMGMIANH-NXEZZACHSA-N 2 2 211.309 -0.194 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000573207353 388433128 /nfs/dbraw/zinc/43/31/28/388433128.db2.gz OOOPQHPMGMIANH-NXEZZACHSA-N 2 2 211.309 -0.194 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC000573207354 388432566 /nfs/dbraw/zinc/43/25/66/388432566.db2.gz OOOPQHPMGMIANH-UWVGGRQHSA-N 2 2 211.309 -0.194 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000573207354 388432565 /nfs/dbraw/zinc/43/25/65/388432565.db2.gz OOOPQHPMGMIANH-UWVGGRQHSA-N 2 2 211.309 -0.194 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000573207355 388432463 /nfs/dbraw/zinc/43/24/63/388432463.db2.gz OOOPQHPMGMIANH-VHSXEESVSA-N 2 2 211.309 -0.194 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000573207355 388432460 /nfs/dbraw/zinc/43/24/60/388432460.db2.gz OOOPQHPMGMIANH-VHSXEESVSA-N 2 2 211.309 -0.194 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC000573207356 398212742 /nfs/dbraw/zinc/21/27/42/398212742.db2.gz OOOPQHPMGMIANH-ZJUUUORDSA-N 2 2 211.309 -0.194 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000573207356 398212740 /nfs/dbraw/zinc/21/27/40/398212740.db2.gz OOOPQHPMGMIANH-ZJUUUORDSA-N 2 2 211.309 -0.194 20 0 BBADLP C[C@H](C[NH3+])C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000573209506 388431443 /nfs/dbraw/zinc/43/14/43/388431443.db2.gz DGAVXQMPGMORDO-NXEZZACHSA-N 2 2 229.324 -0.582 20 0 BBADLP C[C@H](C[NH3+])C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000573209506 388431440 /nfs/dbraw/zinc/43/14/40/388431440.db2.gz DGAVXQMPGMORDO-NXEZZACHSA-N 2 2 229.324 -0.582 20 0 BBADLP C[C@@H](C[NH3+])C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000573209507 388432208 /nfs/dbraw/zinc/43/22/08/388432208.db2.gz DGAVXQMPGMORDO-UWVGGRQHSA-N 2 2 229.324 -0.582 20 0 BBADLP C[C@@H](C[NH3+])C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000573209507 388432206 /nfs/dbraw/zinc/43/22/06/388432206.db2.gz DGAVXQMPGMORDO-UWVGGRQHSA-N 2 2 229.324 -0.582 20 0 BBADLP C[C@@H](C[NH3+])C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000573209508 388432762 /nfs/dbraw/zinc/43/27/62/388432762.db2.gz DGAVXQMPGMORDO-VHSXEESVSA-N 2 2 229.324 -0.582 20 0 BBADLP C[C@@H](C[NH3+])C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000573209508 388432759 /nfs/dbraw/zinc/43/27/59/388432759.db2.gz DGAVXQMPGMORDO-VHSXEESVSA-N 2 2 229.324 -0.582 20 0 BBADLP C[C@H](C[NH3+])C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000573209509 388432613 /nfs/dbraw/zinc/43/26/13/388432613.db2.gz DGAVXQMPGMORDO-ZJUUUORDSA-N 2 2 229.324 -0.582 20 0 BBADLP C[C@H](C[NH3+])C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000573209509 388432610 /nfs/dbraw/zinc/43/26/10/388432610.db2.gz DGAVXQMPGMORDO-ZJUUUORDSA-N 2 2 229.324 -0.582 20 0 BBADLP CNC(=O)C[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000573219394 384345014 /nfs/dbraw/zinc/34/50/14/384345014.db2.gz BGNXWKCRNOLKIP-UHFFFAOYSA-N 2 2 211.309 -0.064 20 0 BBADLP CNC(=O)C[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000573219394 384345009 /nfs/dbraw/zinc/34/50/09/384345009.db2.gz BGNXWKCRNOLKIP-UHFFFAOYSA-N 2 2 211.309 -0.064 20 0 BBADLP C[C@@H]([NH3+])C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000573325071 364798959 /nfs/dbraw/zinc/79/89/59/364798959.db2.gz GZHKEVZAXDUPAJ-SECBINFHSA-N 2 2 249.380 -0.405 20 0 BBADLP C[C@H]([NH3+])C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000573325072 364799485 /nfs/dbraw/zinc/79/94/85/364799485.db2.gz GZHKEVZAXDUPAJ-VIFPVBQESA-N 2 2 249.380 -0.405 20 0 BBADLP Cc1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)nc[nH+]1 ZINC000573339219 364804913 /nfs/dbraw/zinc/80/49/13/364804913.db2.gz JJJKFHJCAUWZFH-NXEZZACHSA-N 2 2 247.302 -0.467 20 0 BBADLP Cc1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)nc[nH+]1 ZINC000573339220 364804945 /nfs/dbraw/zinc/80/49/45/364804945.db2.gz JJJKFHJCAUWZFH-UWVGGRQHSA-N 2 2 247.302 -0.467 20 0 BBADLP Cc1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)nc[nH+]1 ZINC000573339221 364805040 /nfs/dbraw/zinc/80/50/40/364805040.db2.gz JJJKFHJCAUWZFH-VHSXEESVSA-N 2 2 247.302 -0.467 20 0 BBADLP Cc1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)nc[nH+]1 ZINC000573339222 364804380 /nfs/dbraw/zinc/80/43/80/364804380.db2.gz JJJKFHJCAUWZFH-ZJUUUORDSA-N 2 2 247.302 -0.467 20 0 BBADLP CC(C)OC[C@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C ZINC000573370449 344111886 /nfs/dbraw/zinc/11/18/86/344111886.db2.gz FKKTWYZURPLLAR-GHMZBOCLSA-N 2 2 234.340 -0.716 20 0 BBADLP CC(C)OC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C ZINC000573370450 344111524 /nfs/dbraw/zinc/11/15/24/344111524.db2.gz FKKTWYZURPLLAR-MNOVXSKESA-N 2 2 234.340 -0.716 20 0 BBADLP CC(C)OC[C@@H](O)C[NH2+]C[C@H](O)C[NH+](C)C ZINC000573370451 344111627 /nfs/dbraw/zinc/11/16/27/344111627.db2.gz FKKTWYZURPLLAR-QWRGUYRKSA-N 2 2 234.340 -0.716 20 0 BBADLP CC(C)OC[C@H](O)C[NH2+]C[C@H](O)C[NH+](C)C ZINC000573370452 344111992 /nfs/dbraw/zinc/11/19/92/344111992.db2.gz FKKTWYZURPLLAR-WDEREUQCSA-N 2 2 234.340 -0.716 20 0 BBADLP C[C@@H]([NH3+])C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000573371526 364813743 /nfs/dbraw/zinc/81/37/43/364813743.db2.gz JKJQQAMMEGZUFG-GHMZBOCLSA-N 3 2 242.367 -0.347 20 0 BBADLP C[C@@H]([NH3+])C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000573371526 364813741 /nfs/dbraw/zinc/81/37/41/364813741.db2.gz JKJQQAMMEGZUFG-GHMZBOCLSA-N 3 2 242.367 -0.347 20 0 BBADLP C[C@@H]([NH3+])C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000573371527 364813087 /nfs/dbraw/zinc/81/30/87/364813087.db2.gz JKJQQAMMEGZUFG-MNOVXSKESA-N 3 2 242.367 -0.347 20 0 BBADLP C[C@@H]([NH3+])C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000573371527 364813084 /nfs/dbraw/zinc/81/30/84/364813084.db2.gz JKJQQAMMEGZUFG-MNOVXSKESA-N 3 2 242.367 -0.347 20 0 BBADLP C[C@H]([NH3+])C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000573371528 364813694 /nfs/dbraw/zinc/81/36/94/364813694.db2.gz JKJQQAMMEGZUFG-QWRGUYRKSA-N 3 2 242.367 -0.347 20 0 BBADLP C[C@H]([NH3+])C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000573371528 364813691 /nfs/dbraw/zinc/81/36/91/364813691.db2.gz JKJQQAMMEGZUFG-QWRGUYRKSA-N 3 2 242.367 -0.347 20 0 BBADLP C[C@H]([NH3+])C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000573371529 364813681 /nfs/dbraw/zinc/81/36/81/364813681.db2.gz JKJQQAMMEGZUFG-WDEREUQCSA-N 3 2 242.367 -0.347 20 0 BBADLP C[C@H]([NH3+])C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000573371529 364813675 /nfs/dbraw/zinc/81/36/75/364813675.db2.gz JKJQQAMMEGZUFG-WDEREUQCSA-N 3 2 242.367 -0.347 20 0 BBADLP Cn1c[nH+]cc1CNc1cc[nH+]cc1C(N)=O ZINC000573498302 364848124 /nfs/dbraw/zinc/84/81/24/364848124.db2.gz FXVGBEWSIYZYBL-UHFFFAOYSA-N 2 2 231.259 -0.052 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000573571553 364864474 /nfs/dbraw/zinc/86/44/74/364864474.db2.gz XCBPUTCNBYLILX-LLVKDONJSA-N 3 2 217.357 -0.127 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000573571553 364864471 /nfs/dbraw/zinc/86/44/71/364864471.db2.gz XCBPUTCNBYLILX-LLVKDONJSA-N 3 2 217.357 -0.127 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000573571556 364864605 /nfs/dbraw/zinc/86/46/05/364864605.db2.gz XCBPUTCNBYLILX-NSHDSACASA-N 3 2 217.357 -0.127 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000573571556 364864602 /nfs/dbraw/zinc/86/46/02/364864602.db2.gz XCBPUTCNBYLILX-NSHDSACASA-N 3 2 217.357 -0.127 20 0 BBADLP C[NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000573609260 364873905 /nfs/dbraw/zinc/87/39/05/364873905.db2.gz ZXIZKRSPWZMNPK-LLVKDONJSA-N 2 2 242.367 -0.652 20 0 BBADLP C[NH2+]CCCNC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000573609261 364873995 /nfs/dbraw/zinc/87/39/95/364873995.db2.gz ZXIZKRSPWZMNPK-NSHDSACASA-N 2 2 242.367 -0.652 20 0 BBADLP C[C@@H](C[NH3+])[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000573610132 364873935 /nfs/dbraw/zinc/87/39/35/364873935.db2.gz UHDNBZPWNZPIAV-JTQLQIEISA-N 3 2 200.330 -0.829 20 0 BBADLP C[C@@H](C[NH3+])[N@H+](C)CCN1CC[NH2+]CC1 ZINC000573610132 364873933 /nfs/dbraw/zinc/87/39/33/364873933.db2.gz UHDNBZPWNZPIAV-JTQLQIEISA-N 3 2 200.330 -0.829 20 0 BBADLP C[C@H](C[NH3+])[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000573610133 364874087 /nfs/dbraw/zinc/87/40/87/364874087.db2.gz UHDNBZPWNZPIAV-SNVBAGLBSA-N 3 2 200.330 -0.829 20 0 BBADLP C[C@H](C[NH3+])[N@H+](C)CCN1CC[NH2+]CC1 ZINC000573610133 364874086 /nfs/dbraw/zinc/87/40/86/364874086.db2.gz UHDNBZPWNZPIAV-SNVBAGLBSA-N 3 2 200.330 -0.829 20 0 BBADLP Cc1cc(N2C[C@H](O)[C@@H]([NH+](C)C)C2)nc[nH+]1 ZINC000573620932 364876114 /nfs/dbraw/zinc/87/61/14/364876114.db2.gz WZJHEGQOLNAQJW-UWVGGRQHSA-N 2 2 222.292 -0.104 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000573696374 364896401 /nfs/dbraw/zinc/89/64/01/364896401.db2.gz SGRCFBFBLDJODE-NXEZZACHSA-N 2 2 244.339 -0.958 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000573696374 364896395 /nfs/dbraw/zinc/89/63/95/364896395.db2.gz SGRCFBFBLDJODE-NXEZZACHSA-N 2 2 244.339 -0.958 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](NC(N)=O)C1 ZINC000573696374 364896388 /nfs/dbraw/zinc/89/63/88/364896388.db2.gz SGRCFBFBLDJODE-NXEZZACHSA-N 2 2 244.339 -0.958 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](NC(N)=O)C1 ZINC000573696374 364896384 /nfs/dbraw/zinc/89/63/84/364896384.db2.gz SGRCFBFBLDJODE-NXEZZACHSA-N 2 2 244.339 -0.958 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000573696377 364896765 /nfs/dbraw/zinc/89/67/65/364896765.db2.gz SGRCFBFBLDJODE-UWVGGRQHSA-N 2 2 244.339 -0.958 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000573696377 364896761 /nfs/dbraw/zinc/89/67/61/364896761.db2.gz SGRCFBFBLDJODE-UWVGGRQHSA-N 2 2 244.339 -0.958 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](NC(N)=O)C1 ZINC000573696377 364896757 /nfs/dbraw/zinc/89/67/57/364896757.db2.gz SGRCFBFBLDJODE-UWVGGRQHSA-N 2 2 244.339 -0.958 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](NC(N)=O)C1 ZINC000573696377 364896753 /nfs/dbraw/zinc/89/67/53/364896753.db2.gz SGRCFBFBLDJODE-UWVGGRQHSA-N 2 2 244.339 -0.958 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000573696379 364896894 /nfs/dbraw/zinc/89/68/94/364896894.db2.gz SGRCFBFBLDJODE-VHSXEESVSA-N 2 2 244.339 -0.958 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000573696379 364896891 /nfs/dbraw/zinc/89/68/91/364896891.db2.gz SGRCFBFBLDJODE-VHSXEESVSA-N 2 2 244.339 -0.958 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](NC(N)=O)C1 ZINC000573696379 364896887 /nfs/dbraw/zinc/89/68/87/364896887.db2.gz SGRCFBFBLDJODE-VHSXEESVSA-N 2 2 244.339 -0.958 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](NC(N)=O)C1 ZINC000573696379 364896884 /nfs/dbraw/zinc/89/68/84/364896884.db2.gz SGRCFBFBLDJODE-VHSXEESVSA-N 2 2 244.339 -0.958 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000573696382 364896365 /nfs/dbraw/zinc/89/63/65/364896365.db2.gz SGRCFBFBLDJODE-ZJUUUORDSA-N 2 2 244.339 -0.958 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000573696382 364896363 /nfs/dbraw/zinc/89/63/63/364896363.db2.gz SGRCFBFBLDJODE-ZJUUUORDSA-N 2 2 244.339 -0.958 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](NC(N)=O)C1 ZINC000573696382 364896356 /nfs/dbraw/zinc/89/63/56/364896356.db2.gz SGRCFBFBLDJODE-ZJUUUORDSA-N 2 2 244.339 -0.958 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](NC(N)=O)C1 ZINC000573696382 364896350 /nfs/dbraw/zinc/89/63/50/364896350.db2.gz SGRCFBFBLDJODE-ZJUUUORDSA-N 2 2 244.339 -0.958 20 0 BBADLP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC000573803095 364918941 /nfs/dbraw/zinc/91/89/41/364918941.db2.gz INNRSBAXWFUURH-GHMZBOCLSA-N 3 2 240.351 -0.913 20 0 BBADLP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC000573803095 364918939 /nfs/dbraw/zinc/91/89/39/364918939.db2.gz INNRSBAXWFUURH-GHMZBOCLSA-N 3 2 240.351 -0.913 20 0 BBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000573816722 364924367 /nfs/dbraw/zinc/92/43/67/364924367.db2.gz JVOCJWKADSUTDW-JTQLQIEISA-N 2 2 243.351 -0.505 20 0 BBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000573816722 364924363 /nfs/dbraw/zinc/92/43/63/364924363.db2.gz JVOCJWKADSUTDW-JTQLQIEISA-N 2 2 243.351 -0.505 20 0 BBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000573816723 364922777 /nfs/dbraw/zinc/92/27/77/364922777.db2.gz JVOCJWKADSUTDW-SNVBAGLBSA-N 2 2 243.351 -0.505 20 0 BBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000573816723 364922770 /nfs/dbraw/zinc/92/27/70/364922770.db2.gz JVOCJWKADSUTDW-SNVBAGLBSA-N 2 2 243.351 -0.505 20 0 BBADLP C(CN1CC[NH2+]CC1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000573919974 364946698 /nfs/dbraw/zinc/94/66/98/364946698.db2.gz CIKAAAIDCBSTIE-LLVKDONJSA-N 3 2 212.341 -0.767 20 0 BBADLP C(CN1CC[NH2+]CC1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000573919975 364946650 /nfs/dbraw/zinc/94/66/50/364946650.db2.gz CIKAAAIDCBSTIE-NSHDSACASA-N 3 2 212.341 -0.767 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000573927574 364947621 /nfs/dbraw/zinc/94/76/21/364947621.db2.gz SXOCEVJPSRHEBN-NEPJUHHUSA-N 3 2 229.368 -0.112 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000573927574 364947617 /nfs/dbraw/zinc/94/76/17/364947617.db2.gz SXOCEVJPSRHEBN-NEPJUHHUSA-N 3 2 229.368 -0.112 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000573927576 364947576 /nfs/dbraw/zinc/94/75/76/364947576.db2.gz SXOCEVJPSRHEBN-NWDGAFQWSA-N 3 2 229.368 -0.112 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000573927576 364947570 /nfs/dbraw/zinc/94/75/70/364947570.db2.gz SXOCEVJPSRHEBN-NWDGAFQWSA-N 3 2 229.368 -0.112 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000573927577 364947366 /nfs/dbraw/zinc/94/73/66/364947366.db2.gz SXOCEVJPSRHEBN-RYUDHWBXSA-N 3 2 229.368 -0.112 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000573927577 364947360 /nfs/dbraw/zinc/94/73/60/364947360.db2.gz SXOCEVJPSRHEBN-RYUDHWBXSA-N 3 2 229.368 -0.112 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000573927578 364947765 /nfs/dbraw/zinc/94/77/65/364947765.db2.gz SXOCEVJPSRHEBN-VXGBXAGGSA-N 3 2 229.368 -0.112 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000573927578 364947761 /nfs/dbraw/zinc/94/77/61/364947761.db2.gz SXOCEVJPSRHEBN-VXGBXAGGSA-N 3 2 229.368 -0.112 20 0 BBADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc[nH]n1 ZINC000573966452 364956289 /nfs/dbraw/zinc/95/62/89/364956289.db2.gz YDOYQOXVPPDJDV-UHFFFAOYSA-N 2 2 223.324 -0.253 20 0 BBADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1cc[nH]n1 ZINC000573966452 364956285 /nfs/dbraw/zinc/95/62/85/364956285.db2.gz YDOYQOXVPPDJDV-UHFFFAOYSA-N 2 2 223.324 -0.253 20 0 BBADLP [NH3+]C[C@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000574040657 364973475 /nfs/dbraw/zinc/97/34/75/364973475.db2.gz TUFAJWYNXKUYAF-GFCCVEGCSA-N 3 2 226.368 -0.295 20 0 BBADLP [NH3+]C[C@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000574040657 364973469 /nfs/dbraw/zinc/97/34/69/364973469.db2.gz TUFAJWYNXKUYAF-GFCCVEGCSA-N 3 2 226.368 -0.295 20 0 BBADLP [NH3+]C[C@@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000574040658 364974525 /nfs/dbraw/zinc/97/45/25/364974525.db2.gz TUFAJWYNXKUYAF-LBPRGKRZSA-N 3 2 226.368 -0.295 20 0 BBADLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000574040658 364974517 /nfs/dbraw/zinc/97/45/17/364974517.db2.gz TUFAJWYNXKUYAF-LBPRGKRZSA-N 3 2 226.368 -0.295 20 0 BBADLP C[NH2+]CCC[N@@H+](C)C[C@@](C)(O)C[NH2+]C ZINC000574046406 364975349 /nfs/dbraw/zinc/97/53/49/364975349.db2.gz JNXLOWJOFDWZJO-JTQLQIEISA-N 3 2 203.330 -0.502 20 0 BBADLP C[NH2+]CCC[N@H+](C)C[C@@](C)(O)C[NH2+]C ZINC000574046406 364975343 /nfs/dbraw/zinc/97/53/43/364975343.db2.gz JNXLOWJOFDWZJO-JTQLQIEISA-N 3 2 203.330 -0.502 20 0 BBADLP C[NH2+]CCC[N@@H+](C)C[C@](C)(O)C[NH2+]C ZINC000574046410 364975073 /nfs/dbraw/zinc/97/50/73/364975073.db2.gz JNXLOWJOFDWZJO-SNVBAGLBSA-N 3 2 203.330 -0.502 20 0 BBADLP C[NH2+]CCC[N@H+](C)C[C@](C)(O)C[NH2+]C ZINC000574046410 364975070 /nfs/dbraw/zinc/97/50/70/364975070.db2.gz JNXLOWJOFDWZJO-SNVBAGLBSA-N 3 2 203.330 -0.502 20 0 BBADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C[NH3+])CC1 ZINC000574085512 364979916 /nfs/dbraw/zinc/97/99/16/364979916.db2.gz CICRKJRMVAIXHN-SECBINFHSA-N 2 2 243.307 -0.959 20 0 BBADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C[NH3+])CC1 ZINC000574085513 364980096 /nfs/dbraw/zinc/98/00/96/364980096.db2.gz CICRKJRMVAIXHN-VIFPVBQESA-N 2 2 243.307 -0.959 20 0 BBADLP C[C@H](C[NH2+]CCC(=O)NC(N)=O)[N@@H+](C)C1CC1 ZINC000574151479 364997235 /nfs/dbraw/zinc/99/72/35/364997235.db2.gz NKOAUSKQRDNJBM-MRVPVSSYSA-N 2 2 242.323 -0.356 20 0 BBADLP C[C@H](C[NH2+]CCC(=O)NC(N)=O)[N@H+](C)C1CC1 ZINC000574151479 364997229 /nfs/dbraw/zinc/99/72/29/364997229.db2.gz NKOAUSKQRDNJBM-MRVPVSSYSA-N 2 2 242.323 -0.356 20 0 BBADLP C[C@@H](C[NH2+]CCC(=O)NC(N)=O)[N@@H+](C)C1CC1 ZINC000574151480 364996778 /nfs/dbraw/zinc/99/67/78/364996778.db2.gz NKOAUSKQRDNJBM-QMMMGPOBSA-N 2 2 242.323 -0.356 20 0 BBADLP C[C@@H](C[NH2+]CCC(=O)NC(N)=O)[N@H+](C)C1CC1 ZINC000574151480 364996774 /nfs/dbraw/zinc/99/67/74/364996774.db2.gz NKOAUSKQRDNJBM-QMMMGPOBSA-N 2 2 242.323 -0.356 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000574164878 365001588 /nfs/dbraw/zinc/00/15/88/365001588.db2.gz SRXCYVCTLQOPSJ-NEPJUHHUSA-N 3 2 227.352 -0.358 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000574164878 365001583 /nfs/dbraw/zinc/00/15/83/365001583.db2.gz SRXCYVCTLQOPSJ-NEPJUHHUSA-N 3 2 227.352 -0.358 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000574164881 365000835 /nfs/dbraw/zinc/00/08/35/365000835.db2.gz SRXCYVCTLQOPSJ-NWDGAFQWSA-N 3 2 227.352 -0.358 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000574164881 365000830 /nfs/dbraw/zinc/00/08/30/365000830.db2.gz SRXCYVCTLQOPSJ-NWDGAFQWSA-N 3 2 227.352 -0.358 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000574164882 365001243 /nfs/dbraw/zinc/00/12/43/365001243.db2.gz SRXCYVCTLQOPSJ-RYUDHWBXSA-N 3 2 227.352 -0.358 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000574164882 365001240 /nfs/dbraw/zinc/00/12/40/365001240.db2.gz SRXCYVCTLQOPSJ-RYUDHWBXSA-N 3 2 227.352 -0.358 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000574164883 365001350 /nfs/dbraw/zinc/00/13/50/365001350.db2.gz SRXCYVCTLQOPSJ-VXGBXAGGSA-N 3 2 227.352 -0.358 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000574164883 365001346 /nfs/dbraw/zinc/00/13/46/365001346.db2.gz SRXCYVCTLQOPSJ-VXGBXAGGSA-N 3 2 227.352 -0.358 20 0 BBADLP C[C@]1(C[NH2+]C[C@H]2C[NH2+]CCCO2)CC[NH2+]C1 ZINC000574204343 365009521 /nfs/dbraw/zinc/00/95/21/365009521.db2.gz CIQKAPXZVAHWEJ-NEPJUHHUSA-N 3 2 227.352 -0.046 20 0 BBADLP C[C@@]1(C[NH2+]C[C@@H]2C[NH2+]CCCO2)CC[NH2+]C1 ZINC000574204344 365009068 /nfs/dbraw/zinc/00/90/68/365009068.db2.gz CIQKAPXZVAHWEJ-NWDGAFQWSA-N 3 2 227.352 -0.046 20 0 BBADLP C[C@]1(C[NH2+]C[C@@H]2C[NH2+]CCCO2)CC[NH2+]C1 ZINC000574204345 365009665 /nfs/dbraw/zinc/00/96/65/365009665.db2.gz CIQKAPXZVAHWEJ-RYUDHWBXSA-N 3 2 227.352 -0.046 20 0 BBADLP C[C@@]1(C[NH2+]C[C@H]2C[NH2+]CCCO2)CC[NH2+]C1 ZINC000574204346 365009612 /nfs/dbraw/zinc/00/96/12/365009612.db2.gz CIQKAPXZVAHWEJ-VXGBXAGGSA-N 3 2 227.352 -0.046 20 0 BBADLP COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1CCOCC[NH3+] ZINC000574205680 365011057 /nfs/dbraw/zinc/01/10/57/365011057.db2.gz ICFBTFBUKHPMKB-NXEZZACHSA-N 2 2 246.307 -0.776 20 0 BBADLP COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1CCOCC[NH3+] ZINC000574205680 365011054 /nfs/dbraw/zinc/01/10/54/365011054.db2.gz ICFBTFBUKHPMKB-NXEZZACHSA-N 2 2 246.307 -0.776 20 0 BBADLP COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1CCOCC[NH3+] ZINC000574205683 365010833 /nfs/dbraw/zinc/01/08/33/365010833.db2.gz ICFBTFBUKHPMKB-UWVGGRQHSA-N 2 2 246.307 -0.776 20 0 BBADLP COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1CCOCC[NH3+] ZINC000574205683 365010824 /nfs/dbraw/zinc/01/08/24/365010824.db2.gz ICFBTFBUKHPMKB-UWVGGRQHSA-N 2 2 246.307 -0.776 20 0 BBADLP COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1CCOCC[NH3+] ZINC000574205684 365011127 /nfs/dbraw/zinc/01/11/27/365011127.db2.gz ICFBTFBUKHPMKB-VHSXEESVSA-N 2 2 246.307 -0.776 20 0 BBADLP COC(=O)[C@H]1C[C@H](OC)C[N@H+]1CCOCC[NH3+] ZINC000574205684 365011124 /nfs/dbraw/zinc/01/11/24/365011124.db2.gz ICFBTFBUKHPMKB-VHSXEESVSA-N 2 2 246.307 -0.776 20 0 BBADLP COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1CCOCC[NH3+] ZINC000574205685 365010416 /nfs/dbraw/zinc/01/04/16/365010416.db2.gz ICFBTFBUKHPMKB-ZJUUUORDSA-N 2 2 246.307 -0.776 20 0 BBADLP COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1CCOCC[NH3+] ZINC000574205685 365010408 /nfs/dbraw/zinc/01/04/08/365010408.db2.gz ICFBTFBUKHPMKB-ZJUUUORDSA-N 2 2 246.307 -0.776 20 0 BBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000574208204 365010587 /nfs/dbraw/zinc/01/05/87/365010587.db2.gz JCOYXRJOKCQMGC-GARJFASQSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000574208204 365010576 /nfs/dbraw/zinc/01/05/76/365010576.db2.gz JCOYXRJOKCQMGC-GARJFASQSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000574208205 365010947 /nfs/dbraw/zinc/01/09/47/365010947.db2.gz JCOYXRJOKCQMGC-MXWKQRLJSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000574208205 365010943 /nfs/dbraw/zinc/01/09/43/365010943.db2.gz JCOYXRJOKCQMGC-MXWKQRLJSA-N 2 2 241.335 -0.439 20 0 BBADLP CNC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000574218024 365013640 /nfs/dbraw/zinc/01/36/40/365013640.db2.gz RDYBTWAILRIUKY-UHFFFAOYSA-N 2 2 223.280 -0.722 20 0 BBADLP CN(CCC[NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000574218663 365012847 /nfs/dbraw/zinc/01/28/47/365012847.db2.gz HONLWJGBRDQBKP-UHFFFAOYSA-N 2 2 244.339 -0.691 20 0 BBADLP C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000574316116 365034692 /nfs/dbraw/zinc/03/46/92/365034692.db2.gz IPRVLHZXTHPIBV-GHMZBOCLSA-N 2 2 243.351 -0.240 20 0 BBADLP C[C@@H](C(=O)N(C)CC[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000574316117 365034864 /nfs/dbraw/zinc/03/48/64/365034864.db2.gz IPRVLHZXTHPIBV-MNOVXSKESA-N 2 2 243.351 -0.240 20 0 BBADLP C[C@H]([NH3+])[C@H](C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000574316118 365035451 /nfs/dbraw/zinc/03/54/51/365035451.db2.gz IPRVLHZXTHPIBV-QWRGUYRKSA-N 2 2 243.351 -0.240 20 0 BBADLP C[C@@H]([NH3+])[C@H](C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000574316119 365035235 /nfs/dbraw/zinc/03/52/35/365035235.db2.gz IPRVLHZXTHPIBV-WDEREUQCSA-N 2 2 243.351 -0.240 20 0 BBADLP Cn1nccc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000574414319 365057733 /nfs/dbraw/zinc/05/77/33/365057733.db2.gz PTPKAGYSQPADSR-GHMZBOCLSA-N 2 2 249.318 -0.836 20 0 BBADLP Cn1nccc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000574414320 365057938 /nfs/dbraw/zinc/05/79/38/365057938.db2.gz PTPKAGYSQPADSR-MNOVXSKESA-N 2 2 249.318 -0.836 20 0 BBADLP Cn1nccc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000574414321 365057304 /nfs/dbraw/zinc/05/73/04/365057304.db2.gz PTPKAGYSQPADSR-QWRGUYRKSA-N 2 2 249.318 -0.836 20 0 BBADLP Cn1nccc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000574414322 365057335 /nfs/dbraw/zinc/05/73/35/365057335.db2.gz PTPKAGYSQPADSR-WDEREUQCSA-N 2 2 249.318 -0.836 20 0 BBADLP Cc1[nH+]cc(C[NH2+]CCOCCO)n1C ZINC000574466406 344865361 /nfs/dbraw/zinc/86/53/61/344865361.db2.gz YXNGCNQQEIRIRJ-UHFFFAOYSA-N 2 2 213.281 -0.173 20 0 BBADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]CC1(O)CCC1 ZINC000574567013 365090961 /nfs/dbraw/zinc/09/09/61/365090961.db2.gz XHEYRXDCTWKHRZ-LLVKDONJSA-N 2 2 227.352 -0.263 20 0 BBADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]CC1(O)CCC1 ZINC000574567013 365090957 /nfs/dbraw/zinc/09/09/57/365090957.db2.gz XHEYRXDCTWKHRZ-LLVKDONJSA-N 2 2 227.352 -0.263 20 0 BBADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]CC1(O)CCC1 ZINC000574567014 365090688 /nfs/dbraw/zinc/09/06/88/365090688.db2.gz XHEYRXDCTWKHRZ-NSHDSACASA-N 2 2 227.352 -0.263 20 0 BBADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]CC1(O)CCC1 ZINC000574567014 365090683 /nfs/dbraw/zinc/09/06/83/365090683.db2.gz XHEYRXDCTWKHRZ-NSHDSACASA-N 2 2 227.352 -0.263 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000574648883 365113601 /nfs/dbraw/zinc/11/36/01/365113601.db2.gz BDVNCCIFWVYDKG-AXFHLTTASA-N 2 2 243.351 -0.587 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000574648883 365113594 /nfs/dbraw/zinc/11/35/94/365113594.db2.gz BDVNCCIFWVYDKG-AXFHLTTASA-N 2 2 243.351 -0.587 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000574648888 365112824 /nfs/dbraw/zinc/11/28/24/365112824.db2.gz BDVNCCIFWVYDKG-GMTAPVOTSA-N 2 2 243.351 -0.587 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000574648888 365112818 /nfs/dbraw/zinc/11/28/18/365112818.db2.gz BDVNCCIFWVYDKG-GMTAPVOTSA-N 2 2 243.351 -0.587 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000574648889 365112610 /nfs/dbraw/zinc/11/26/10/365112610.db2.gz BDVNCCIFWVYDKG-HBNTYKKESA-N 2 2 243.351 -0.587 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000574648889 365112603 /nfs/dbraw/zinc/11/26/03/365112603.db2.gz BDVNCCIFWVYDKG-HBNTYKKESA-N 2 2 243.351 -0.587 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000574648891 365113074 /nfs/dbraw/zinc/11/30/74/365113074.db2.gz BDVNCCIFWVYDKG-MXWKQRLJSA-N 2 2 243.351 -0.587 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000574648891 365113068 /nfs/dbraw/zinc/11/30/68/365113068.db2.gz BDVNCCIFWVYDKG-MXWKQRLJSA-N 2 2 243.351 -0.587 20 0 BBADLP CN1CC[NH2+]C[C@@H]1CNc1[nH+]cnc2[nH]ccc21 ZINC000574790333 412254351 /nfs/dbraw/zinc/25/43/51/412254351.db2.gz DTUGRZMQWLLVNL-SECBINFHSA-N 2 2 246.318 0.273 20 0 BBADLP CN1CC[NH2+]C[C@H]1CNc1[nH+]cnc2[nH]ccc21 ZINC000574790334 412254885 /nfs/dbraw/zinc/25/48/85/412254885.db2.gz DTUGRZMQWLLVNL-VIFPVBQESA-N 2 2 246.318 0.273 20 0 BBADLP CC[N@@H+](CCO)CCNC(=O)Cn1cc[nH+]c1 ZINC000574853882 365160939 /nfs/dbraw/zinc/16/09/39/365160939.db2.gz PYRDNEIVRMJNFU-UHFFFAOYSA-N 2 2 240.307 -0.687 20 0 BBADLP CC[N@H+](CCO)CCNC(=O)Cn1cc[nH+]c1 ZINC000574853882 365160936 /nfs/dbraw/zinc/16/09/36/365160936.db2.gz PYRDNEIVRMJNFU-UHFFFAOYSA-N 2 2 240.307 -0.687 20 0 BBADLP Cc1[nH]c(C(=O)NC[C@H]2C[NH2+]CCN2C)c[nH+]1 ZINC000574915954 346412955 /nfs/dbraw/zinc/41/29/55/346412955.db2.gz NVKDDTBJLLBNFC-SECBINFHSA-N 2 2 237.307 -0.648 20 0 BBADLP Cc1[nH]c(C(=O)NC[C@@H]2C[NH2+]CCN2C)c[nH+]1 ZINC000574915955 346413063 /nfs/dbraw/zinc/41/30/63/346413063.db2.gz NVKDDTBJLLBNFC-VIFPVBQESA-N 2 2 237.307 -0.648 20 0 BBADLP C[N@H+]1CCN(C(=O)CCCC[NH3+])[C@@H](C[NH3+])C1 ZINC000574987647 359522835 /nfs/dbraw/zinc/52/28/35/359522835.db2.gz HVMONIJBZPIXIQ-JTQLQIEISA-N 3 2 228.340 -0.783 20 0 BBADLP C[N@@H+]1CCN(C(=O)CCCC[NH3+])[C@@H](C[NH3+])C1 ZINC000574987647 359522831 /nfs/dbraw/zinc/52/28/31/359522831.db2.gz HVMONIJBZPIXIQ-JTQLQIEISA-N 3 2 228.340 -0.783 20 0 BBADLP C[N@H+]1CCN(C(=O)CCCC[NH3+])[C@H](C[NH3+])C1 ZINC000574987648 359523168 /nfs/dbraw/zinc/52/31/68/359523168.db2.gz HVMONIJBZPIXIQ-SNVBAGLBSA-N 3 2 228.340 -0.783 20 0 BBADLP C[N@@H+]1CCN(C(=O)CCCC[NH3+])[C@H](C[NH3+])C1 ZINC000574987648 359523163 /nfs/dbraw/zinc/52/31/63/359523163.db2.gz HVMONIJBZPIXIQ-SNVBAGLBSA-N 3 2 228.340 -0.783 20 0 BBADLP CC[C@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000575048834 346428882 /nfs/dbraw/zinc/42/88/82/346428882.db2.gz DZDZNBBXVJBMNO-UWVGGRQHSA-N 2 2 229.324 -0.439 20 0 BBADLP CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000575048834 346428879 /nfs/dbraw/zinc/42/88/79/346428879.db2.gz DZDZNBBXVJBMNO-UWVGGRQHSA-N 2 2 229.324 -0.439 20 0 BBADLP CC[C@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000575048835 346429043 /nfs/dbraw/zinc/42/90/43/346429043.db2.gz DZDZNBBXVJBMNO-ZJUUUORDSA-N 2 2 229.324 -0.439 20 0 BBADLP CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000575048835 346429039 /nfs/dbraw/zinc/42/90/39/346429039.db2.gz DZDZNBBXVJBMNO-ZJUUUORDSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@@H]([NH3+])CCC(=O)N(C)CC[NH+]1CCOCC1 ZINC000575056009 365180233 /nfs/dbraw/zinc/18/02/33/365180233.db2.gz PEZRKUOPFSOOOH-LLVKDONJSA-N 2 2 243.351 -0.096 20 0 BBADLP C[C@H]([NH3+])CCC(=O)N(C)CC[NH+]1CCOCC1 ZINC000575056010 365180123 /nfs/dbraw/zinc/18/01/23/365180123.db2.gz PEZRKUOPFSOOOH-NSHDSACASA-N 2 2 243.351 -0.096 20 0 BBADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000575073668 365188804 /nfs/dbraw/zinc/18/88/04/365188804.db2.gz PMWBEDORQNHZEZ-MYJAWHEDSA-N 2 2 235.291 -0.231 20 0 BBADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000575073668 365188798 /nfs/dbraw/zinc/18/87/98/365188798.db2.gz PMWBEDORQNHZEZ-MYJAWHEDSA-N 2 2 235.291 -0.231 20 0 BBADLP Cn1c[nH+]c(CCNC(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000575073834 365188487 /nfs/dbraw/zinc/18/84/87/365188487.db2.gz YWHRGYAPYMGDGZ-VIFPVBQESA-N 2 2 237.307 -0.376 20 0 BBADLP NC(=O)CC[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000575181050 365231546 /nfs/dbraw/zinc/23/15/46/365231546.db2.gz NDZYBKXAWOKKFY-JTQLQIEISA-N 2 2 229.324 -0.702 20 0 BBADLP NC(=O)CC[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000575181050 365231542 /nfs/dbraw/zinc/23/15/42/365231542.db2.gz NDZYBKXAWOKKFY-JTQLQIEISA-N 2 2 229.324 -0.702 20 0 BBADLP NC(=O)CC[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000575181051 365231448 /nfs/dbraw/zinc/23/14/48/365231448.db2.gz NDZYBKXAWOKKFY-SNVBAGLBSA-N 2 2 229.324 -0.702 20 0 BBADLP NC(=O)CC[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000575181051 365231445 /nfs/dbraw/zinc/23/14/45/365231445.db2.gz NDZYBKXAWOKKFY-SNVBAGLBSA-N 2 2 229.324 -0.702 20 0 BBADLP C[NH+](C)[C@]1(C[NH2+]CCC(N)=O)CCSC1 ZINC000575248854 365270535 /nfs/dbraw/zinc/27/05/35/365270535.db2.gz WHGXZCVCTFVZAD-JTQLQIEISA-N 2 2 231.365 -0.111 20 0 BBADLP C[NH+](C)[C@@]1(C[NH2+]CCC(N)=O)CCSC1 ZINC000575248855 365269876 /nfs/dbraw/zinc/26/98/76/365269876.db2.gz WHGXZCVCTFVZAD-SNVBAGLBSA-N 2 2 231.365 -0.111 20 0 BBADLP CN1CC[C@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1=O ZINC000575431443 365320474 /nfs/dbraw/zinc/32/04/74/365320474.db2.gz NJPYLOGBIAYEHO-JTQLQIEISA-N 2 2 249.318 -0.238 20 0 BBADLP CN1CC[C@@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1=O ZINC000575431444 365320644 /nfs/dbraw/zinc/32/06/44/365320644.db2.gz NJPYLOGBIAYEHO-SNVBAGLBSA-N 2 2 249.318 -0.238 20 0 BBADLP CCCCNc1cc(NC2C[NH2+]C2)nc(N)[nH+]1 ZINC000575735116 411902234 /nfs/dbraw/zinc/90/22/34/411902234.db2.gz TVEMLVSBEIDHDZ-UHFFFAOYSA-N 2 2 236.323 0.076 20 0 BBADLP CC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000575745280 365349106 /nfs/dbraw/zinc/34/91/06/365349106.db2.gz KLTOBSVEXVZLCN-SNVBAGLBSA-N 2 2 243.351 -0.049 20 0 BBADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ccccn3)CCN2C1=O ZINC000575762657 351013266 /nfs/dbraw/zinc/01/32/66/351013266.db2.gz BQBDZDNIJVWQIV-NEPJUHHUSA-N 2 2 246.314 -0.175 20 0 BBADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3ccccn3)CCN2C1=O ZINC000575762658 351012913 /nfs/dbraw/zinc/01/29/13/351012913.db2.gz BQBDZDNIJVWQIV-NWDGAFQWSA-N 2 2 246.314 -0.175 20 0 BBADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3ccccn3)CCN2C1=O ZINC000575762659 351012900 /nfs/dbraw/zinc/01/29/00/351012900.db2.gz BQBDZDNIJVWQIV-RYUDHWBXSA-N 2 2 246.314 -0.175 20 0 BBADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3ccccn3)CCN2C1=O ZINC000575762660 351013273 /nfs/dbraw/zinc/01/32/73/351013273.db2.gz BQBDZDNIJVWQIV-VXGBXAGGSA-N 2 2 246.314 -0.175 20 0 BBADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3ccccn3)CCN2C1=O ZINC000575762660 351013271 /nfs/dbraw/zinc/01/32/71/351013271.db2.gz BQBDZDNIJVWQIV-VXGBXAGGSA-N 2 2 246.314 -0.175 20 0 BBADLP Nc1cc(CN(CC[NH3+])CCO)cc[nH+]1 ZINC000575803379 411975701 /nfs/dbraw/zinc/97/57/01/411975701.db2.gz LCSHOIFAOJXZNO-UHFFFAOYSA-N 2 2 210.281 -0.583 20 0 BBADLP Cc1nc(CN2CC[NH+](CCC[NH3+])CC2)no1 ZINC000575926239 365417225 /nfs/dbraw/zinc/41/72/25/365417225.db2.gz SUPUNWNJWMTULA-UHFFFAOYSA-N 2 2 239.323 -0.156 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000576046298 365463139 /nfs/dbraw/zinc/46/31/39/365463139.db2.gz HKBBIDYTEGGRAG-GFCCVEGCSA-N 2 2 245.367 -0.197 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)CC(=O)NC(C)(C)C ZINC000576046298 365463133 /nfs/dbraw/zinc/46/31/33/365463133.db2.gz HKBBIDYTEGGRAG-GFCCVEGCSA-N 2 2 245.367 -0.197 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000576046299 365463267 /nfs/dbraw/zinc/46/32/67/365463267.db2.gz HKBBIDYTEGGRAG-LBPRGKRZSA-N 2 2 245.367 -0.197 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+](C)CC(=O)NC(C)(C)C ZINC000576046299 365463263 /nfs/dbraw/zinc/46/32/63/365463263.db2.gz HKBBIDYTEGGRAG-LBPRGKRZSA-N 2 2 245.367 -0.197 20 0 BBADLP O=C(NCCn1cc[nH+]c1)N[C@H]1CC[NH2+]C1 ZINC000576054002 365467417 /nfs/dbraw/zinc/46/74/17/365467417.db2.gz JZWRAAYXBJCEHL-VIFPVBQESA-N 2 2 223.280 -0.456 20 0 BBADLP [NH3+]CC[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000576160682 365504896 /nfs/dbraw/zinc/50/48/96/365504896.db2.gz URGXSDCGKYNIFI-MNOVXSKESA-N 3 2 213.325 -0.227 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+](CC(N)=O)CC(C)C ZINC000576217363 365524880 /nfs/dbraw/zinc/52/48/80/365524880.db2.gz RKGBFAJQMLMZDN-LLVKDONJSA-N 2 2 245.367 -0.258 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CC(N)=O)CC(C)C ZINC000576217363 365524878 /nfs/dbraw/zinc/52/48/78/365524878.db2.gz RKGBFAJQMLMZDN-LLVKDONJSA-N 2 2 245.367 -0.258 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+](CC(N)=O)CC(C)C ZINC000576217363 365524871 /nfs/dbraw/zinc/52/48/71/365524871.db2.gz RKGBFAJQMLMZDN-LLVKDONJSA-N 2 2 245.367 -0.258 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+](CC(N)=O)CC(C)C ZINC000576217363 365524868 /nfs/dbraw/zinc/52/48/68/365524868.db2.gz RKGBFAJQMLMZDN-LLVKDONJSA-N 2 2 245.367 -0.258 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+](CC(N)=O)CC(C)C ZINC000576217364 365524944 /nfs/dbraw/zinc/52/49/44/365524944.db2.gz RKGBFAJQMLMZDN-NSHDSACASA-N 2 2 245.367 -0.258 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+](CC(N)=O)CC(C)C ZINC000576217364 365524942 /nfs/dbraw/zinc/52/49/42/365524942.db2.gz RKGBFAJQMLMZDN-NSHDSACASA-N 2 2 245.367 -0.258 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+](CC(N)=O)CC(C)C ZINC000576217364 365524935 /nfs/dbraw/zinc/52/49/35/365524935.db2.gz RKGBFAJQMLMZDN-NSHDSACASA-N 2 2 245.367 -0.258 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+](CC(N)=O)CC(C)C ZINC000576217364 365524931 /nfs/dbraw/zinc/52/49/31/365524931.db2.gz RKGBFAJQMLMZDN-NSHDSACASA-N 2 2 245.367 -0.258 20 0 BBADLP C[N@@H+](CC[NH2+]CCC(=O)NC(N)=O)C1CC1 ZINC000576339128 365569143 /nfs/dbraw/zinc/56/91/43/365569143.db2.gz CNCPHRNUKBIDQV-UHFFFAOYSA-N 2 2 228.296 -0.745 20 0 BBADLP C[N@H+](CC[NH2+]CCC(=O)NC(N)=O)C1CC1 ZINC000576339128 365569136 /nfs/dbraw/zinc/56/91/36/365569136.db2.gz CNCPHRNUKBIDQV-UHFFFAOYSA-N 2 2 228.296 -0.745 20 0 BBADLP Cc1n[nH]cc1CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000576346869 365573991 /nfs/dbraw/zinc/57/39/91/365573991.db2.gz SDHJYMJIOFVRSH-LLVKDONJSA-N 2 2 223.324 -0.207 20 0 BBADLP Cc1n[nH]cc1CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000576346869 365573984 /nfs/dbraw/zinc/57/39/84/365573984.db2.gz SDHJYMJIOFVRSH-LLVKDONJSA-N 2 2 223.324 -0.207 20 0 BBADLP Cc1n[nH]cc1CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000576346870 365573520 /nfs/dbraw/zinc/57/35/20/365573520.db2.gz SDHJYMJIOFVRSH-NSHDSACASA-N 2 2 223.324 -0.207 20 0 BBADLP Cc1n[nH]cc1CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000576346870 365573518 /nfs/dbraw/zinc/57/35/18/365573518.db2.gz SDHJYMJIOFVRSH-NSHDSACASA-N 2 2 223.324 -0.207 20 0 BBADLP C[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)C1CC([NH3+])C1 ZINC000576399578 365585533 /nfs/dbraw/zinc/58/55/33/365585533.db2.gz VZHAEXCLWDFCQJ-UHFFFAOYSA-N 2 2 247.302 -0.056 20 0 BBADLP C[N@H+](Cc1cc(=O)n2[nH]ccc2n1)C1CC([NH3+])C1 ZINC000576399578 365585527 /nfs/dbraw/zinc/58/55/27/365585527.db2.gz VZHAEXCLWDFCQJ-UHFFFAOYSA-N 2 2 247.302 -0.056 20 0 BBADLP Cn1c[nH+]cc1CC[N@H+]1CCN(C)C(=O)C1 ZINC000576403540 365588069 /nfs/dbraw/zinc/58/80/69/365588069.db2.gz VXDYYJXECRLJGJ-UHFFFAOYSA-N 2 2 222.292 -0.263 20 0 BBADLP Cn1c[nH+]cc1CC[N@@H+]1CCN(C)C(=O)C1 ZINC000576403540 365588062 /nfs/dbraw/zinc/58/80/62/365588062.db2.gz VXDYYJXECRLJGJ-UHFFFAOYSA-N 2 2 222.292 -0.263 20 0 BBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CCCC[NH3+] ZINC000576581750 365622107 /nfs/dbraw/zinc/62/21/07/365622107.db2.gz HYRNVTWLVKLSTI-LLVKDONJSA-N 2 2 243.351 -0.048 20 0 BBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CCCC[NH3+] ZINC000576581750 365622097 /nfs/dbraw/zinc/62/20/97/365622097.db2.gz HYRNVTWLVKLSTI-LLVKDONJSA-N 2 2 243.351 -0.048 20 0 BBADLP C[C@H]1COCC[N@H+]1CCNC(=O)CCCC[NH3+] ZINC000576581754 365621759 /nfs/dbraw/zinc/62/17/59/365621759.db2.gz HYRNVTWLVKLSTI-NSHDSACASA-N 2 2 243.351 -0.048 20 0 BBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CCCC[NH3+] ZINC000576581754 365621756 /nfs/dbraw/zinc/62/17/56/365621756.db2.gz HYRNVTWLVKLSTI-NSHDSACASA-N 2 2 243.351 -0.048 20 0 BBADLP CO[C@H](C[NH3+])C(=O)Nc1cc[nH+]cc1O ZINC000576634391 365643852 /nfs/dbraw/zinc/64/38/52/365643852.db2.gz HLBJAZKBGQATIG-MRVPVSSYSA-N 2 2 211.221 -0.879 20 0 BBADLP CO[C@@H](C[NH3+])C(=O)Nc1cc[nH+]cc1O ZINC000576634392 365644011 /nfs/dbraw/zinc/64/40/11/365644011.db2.gz HLBJAZKBGQATIG-QMMMGPOBSA-N 2 2 211.221 -0.879 20 0 BBADLP CC[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(=O)OC)CC1 ZINC000576634816 365643393 /nfs/dbraw/zinc/64/33/93/365643393.db2.gz KKFRYXMJNPLCND-VIFPVBQESA-N 2 2 243.307 -0.959 20 0 BBADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nnnn1C ZINC000576637430 365644867 /nfs/dbraw/zinc/64/48/67/365644867.db2.gz YNHRXCJELVMLNV-HTQZYQBOSA-N 2 2 210.285 -0.621 20 0 BBADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nnnn1C ZINC000576637430 365644862 /nfs/dbraw/zinc/64/48/62/365644862.db2.gz YNHRXCJELVMLNV-HTQZYQBOSA-N 2 2 210.285 -0.621 20 0 BBADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nnnn1C ZINC000576637431 365644670 /nfs/dbraw/zinc/64/46/70/365644670.db2.gz YNHRXCJELVMLNV-JGVFFNPUSA-N 2 2 210.285 -0.621 20 0 BBADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nnnn1C ZINC000576637431 365644666 /nfs/dbraw/zinc/64/46/66/365644666.db2.gz YNHRXCJELVMLNV-JGVFFNPUSA-N 2 2 210.285 -0.621 20 0 BBADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nnnn1C ZINC000576637432 365645283 /nfs/dbraw/zinc/64/52/83/365645283.db2.gz YNHRXCJELVMLNV-SFYZADRCSA-N 2 2 210.285 -0.621 20 0 BBADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nnnn1C ZINC000576637432 365645279 /nfs/dbraw/zinc/64/52/79/365645279.db2.gz YNHRXCJELVMLNV-SFYZADRCSA-N 2 2 210.285 -0.621 20 0 BBADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nnnn1C ZINC000576637433 365645098 /nfs/dbraw/zinc/64/50/98/365645098.db2.gz YNHRXCJELVMLNV-YUMQZZPRSA-N 2 2 210.285 -0.621 20 0 BBADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nnnn1C ZINC000576637433 365645093 /nfs/dbraw/zinc/64/50/93/365645093.db2.gz YNHRXCJELVMLNV-YUMQZZPRSA-N 2 2 210.285 -0.621 20 0 BBADLP COC(=O)CN(C)C(=O)CC[N@@H+](C)[C@H](C)C[NH3+] ZINC000576756220 365678446 /nfs/dbraw/zinc/67/84/46/365678446.db2.gz QLOTWJAJSHZHDP-SECBINFHSA-N 2 2 245.323 -0.713 20 0 BBADLP COC(=O)CN(C)C(=O)CC[N@H+](C)[C@H](C)C[NH3+] ZINC000576756220 365678443 /nfs/dbraw/zinc/67/84/43/365678443.db2.gz QLOTWJAJSHZHDP-SECBINFHSA-N 2 2 245.323 -0.713 20 0 BBADLP COC(=O)CN(C)C(=O)CC[N@@H+](C)[C@@H](C)C[NH3+] ZINC000576756226 365678145 /nfs/dbraw/zinc/67/81/45/365678145.db2.gz QLOTWJAJSHZHDP-VIFPVBQESA-N 2 2 245.323 -0.713 20 0 BBADLP COC(=O)CN(C)C(=O)CC[N@H+](C)[C@@H](C)C[NH3+] ZINC000576756226 365678139 /nfs/dbraw/zinc/67/81/39/365678139.db2.gz QLOTWJAJSHZHDP-VIFPVBQESA-N 2 2 245.323 -0.713 20 0 BBADLP C[NH+](C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC000576837598 365700657 /nfs/dbraw/zinc/70/06/57/365700657.db2.gz PYAKMSNESSTDLD-UWVGGRQHSA-N 2 2 238.291 -0.984 20 0 BBADLP CC[N@@H+](CCO)CC[NH2+]C[C@H](O)CSC ZINC000576876957 365711366 /nfs/dbraw/zinc/71/13/66/365711366.db2.gz YXNCUUNHHPDZFY-JTQLQIEISA-N 2 2 236.381 -0.386 20 0 BBADLP CC[N@H+](CCO)CC[NH2+]C[C@H](O)CSC ZINC000576876957 365711361 /nfs/dbraw/zinc/71/13/61/365711361.db2.gz YXNCUUNHHPDZFY-JTQLQIEISA-N 2 2 236.381 -0.386 20 0 BBADLP CC[N@@H+](CCO)CC[NH2+]C[C@@H](O)CSC ZINC000576876959 365711512 /nfs/dbraw/zinc/71/15/12/365711512.db2.gz YXNCUUNHHPDZFY-SNVBAGLBSA-N 2 2 236.381 -0.386 20 0 BBADLP CC[N@H+](CCO)CC[NH2+]C[C@@H](O)CSC ZINC000576876959 365711510 /nfs/dbraw/zinc/71/15/10/365711510.db2.gz YXNCUUNHHPDZFY-SNVBAGLBSA-N 2 2 236.381 -0.386 20 0 BBADLP Cc1[nH+]cc(CNC[C@]2(O)CC[N@@H+](C)C2)n1C ZINC000576887843 398242982 /nfs/dbraw/zinc/24/29/82/398242982.db2.gz TWKWLLFRBAGSRB-GFCCVEGCSA-N 2 2 238.335 -0.115 20 0 BBADLP Cc1[nH+]cc(CNC[C@]2(O)CC[N@H+](C)C2)n1C ZINC000576887843 398242981 /nfs/dbraw/zinc/24/29/81/398242981.db2.gz TWKWLLFRBAGSRB-GFCCVEGCSA-N 2 2 238.335 -0.115 20 0 BBADLP Cc1[nH+]cc(CNC[C@@]2(O)CC[N@@H+](C)C2)n1C ZINC000576887844 398242934 /nfs/dbraw/zinc/24/29/34/398242934.db2.gz TWKWLLFRBAGSRB-LBPRGKRZSA-N 2 2 238.335 -0.115 20 0 BBADLP Cc1[nH+]cc(CNC[C@@]2(O)CC[N@H+](C)C2)n1C ZINC000576887844 398242932 /nfs/dbraw/zinc/24/29/32/398242932.db2.gz TWKWLLFRBAGSRB-LBPRGKRZSA-N 2 2 238.335 -0.115 20 0 BBADLP Cc1[nH+]cc(C[NH2+][C@H](CO)[C@@H](C)O)n1C ZINC000576887862 398242810 /nfs/dbraw/zinc/24/28/10/398242810.db2.gz URFDUMZOTRUAAA-GMSGAONNSA-N 2 2 213.281 -0.440 20 0 BBADLP C[C@H](CO)[NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000576943889 365728531 /nfs/dbraw/zinc/72/85/31/365728531.db2.gz LMWVTTVCAFYFJP-DDHJBXDOSA-N 2 2 246.351 -0.573 20 0 BBADLP C[C@H](CO)[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000576943890 365728326 /nfs/dbraw/zinc/72/83/26/365728326.db2.gz LMWVTTVCAFYFJP-KKOKHZNYSA-N 2 2 246.351 -0.573 20 0 BBADLP C[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000576943891 365727696 /nfs/dbraw/zinc/72/76/96/365727696.db2.gz LMWVTTVCAFYFJP-WISYIIOYSA-N 2 2 246.351 -0.573 20 0 BBADLP C[C@H](CO)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000576943891 365727691 /nfs/dbraw/zinc/72/76/91/365727691.db2.gz LMWVTTVCAFYFJP-WISYIIOYSA-N 2 2 246.351 -0.573 20 0 BBADLP C[C@H](CO)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000576943892 365727803 /nfs/dbraw/zinc/72/78/03/365727803.db2.gz LMWVTTVCAFYFJP-WYUUTHIRSA-N 2 2 246.351 -0.573 20 0 BBADLP C[C@H](CO)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000576943892 365727798 /nfs/dbraw/zinc/72/77/98/365727798.db2.gz LMWVTTVCAFYFJP-WYUUTHIRSA-N 2 2 246.351 -0.573 20 0 BBADLP O=C1NCC[C@@H]1[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000577280726 365916301 /nfs/dbraw/zinc/91/63/01/365916301.db2.gz KETZURNOZNIOBH-AEJSXWLSSA-N 2 2 209.293 -0.584 20 0 BBADLP O=C1NCC[C@@H]1[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000577280726 365916297 /nfs/dbraw/zinc/91/62/97/365916297.db2.gz KETZURNOZNIOBH-AEJSXWLSSA-N 2 2 209.293 -0.584 20 0 BBADLP O=C1NCC[C@@H]1[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000577280727 365916562 /nfs/dbraw/zinc/91/65/62/365916562.db2.gz KETZURNOZNIOBH-BBBLOLIVSA-N 2 2 209.293 -0.584 20 0 BBADLP O=C1NCC[C@@H]1[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000577280727 365916558 /nfs/dbraw/zinc/91/65/58/365916558.db2.gz KETZURNOZNIOBH-BBBLOLIVSA-N 2 2 209.293 -0.584 20 0 BBADLP O=C1NCC[C@@H]1[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000577280728 365915900 /nfs/dbraw/zinc/91/59/00/365915900.db2.gz KETZURNOZNIOBH-GUBZILKMSA-N 2 2 209.293 -0.584 20 0 BBADLP O=C1NCC[C@@H]1[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000577280728 365915894 /nfs/dbraw/zinc/91/58/94/365915894.db2.gz KETZURNOZNIOBH-GUBZILKMSA-N 2 2 209.293 -0.584 20 0 BBADLP O=C1NCC[C@@H]1[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000577280729 365916282 /nfs/dbraw/zinc/91/62/82/365916282.db2.gz KETZURNOZNIOBH-UTLUCORTSA-N 2 2 209.293 -0.584 20 0 BBADLP O=C1NCC[C@@H]1[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000577280729 365916280 /nfs/dbraw/zinc/91/62/80/365916280.db2.gz KETZURNOZNIOBH-UTLUCORTSA-N 2 2 209.293 -0.584 20 0 BBADLP COCCCNC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000577280753 365916614 /nfs/dbraw/zinc/91/66/14/365916614.db2.gz MGDZHKHKFHFTNA-GFCCVEGCSA-N 2 2 243.351 -0.144 20 0 BBADLP COCCCNC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000577280754 365916458 /nfs/dbraw/zinc/91/64/58/365916458.db2.gz MGDZHKHKFHFTNA-LBPRGKRZSA-N 2 2 243.351 -0.144 20 0 BBADLP CCCCOCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000577510666 365974299 /nfs/dbraw/zinc/97/42/99/365974299.db2.gz LMFYZFLLBAQDPF-LLVKDONJSA-N 2 2 243.351 -0.096 20 0 BBADLP CCCCOCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000577510666 365974292 /nfs/dbraw/zinc/97/42/92/365974292.db2.gz LMFYZFLLBAQDPF-LLVKDONJSA-N 2 2 243.351 -0.096 20 0 BBADLP CCCCOCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000577510667 365974349 /nfs/dbraw/zinc/97/43/49/365974349.db2.gz LMFYZFLLBAQDPF-NSHDSACASA-N 2 2 243.351 -0.096 20 0 BBADLP CCCCOCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000577510667 365974340 /nfs/dbraw/zinc/97/43/40/365974340.db2.gz LMFYZFLLBAQDPF-NSHDSACASA-N 2 2 243.351 -0.096 20 0 BBADLP [NH3+]CC[N@@H+](CCO)CC[C@H]1CCC[NH2+]C1 ZINC000577513577 365975674 /nfs/dbraw/zinc/97/56/74/365975674.db2.gz RUKPXPSPHBRPGM-LLVKDONJSA-N 3 2 215.341 -0.371 20 0 BBADLP [NH3+]CC[N@H+](CCO)CC[C@H]1CCC[NH2+]C1 ZINC000577513577 365975670 /nfs/dbraw/zinc/97/56/70/365975670.db2.gz RUKPXPSPHBRPGM-LLVKDONJSA-N 3 2 215.341 -0.371 20 0 BBADLP [NH3+]CC[N@@H+](CCO)CC[C@@H]1CCC[NH2+]C1 ZINC000577513584 365975823 /nfs/dbraw/zinc/97/58/23/365975823.db2.gz RUKPXPSPHBRPGM-NSHDSACASA-N 3 2 215.341 -0.371 20 0 BBADLP [NH3+]CC[N@H+](CCO)CC[C@@H]1CCC[NH2+]C1 ZINC000577513584 365975820 /nfs/dbraw/zinc/97/58/20/365975820.db2.gz RUKPXPSPHBRPGM-NSHDSACASA-N 3 2 215.341 -0.371 20 0 BBADLP [NH3+][C@@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000577731038 366046662 /nfs/dbraw/zinc/04/66/62/366046662.db2.gz VMNMJKUBJRHSHH-LLVKDONJSA-N 3 2 212.341 -0.685 20 0 BBADLP [NH3+][C@@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000577731038 366046661 /nfs/dbraw/zinc/04/66/61/366046661.db2.gz VMNMJKUBJRHSHH-LLVKDONJSA-N 3 2 212.341 -0.685 20 0 BBADLP Cn1c[nH+]cc1CCC[N@H+]1CCNC(=O)C1 ZINC000577765539 366055959 /nfs/dbraw/zinc/05/59/59/366055959.db2.gz DMYVKIBUOONMTE-UHFFFAOYSA-N 2 2 222.292 -0.216 20 0 BBADLP Cn1c[nH+]cc1CCC[N@@H+]1CCNC(=O)C1 ZINC000577765539 366055956 /nfs/dbraw/zinc/05/59/56/366055956.db2.gz DMYVKIBUOONMTE-UHFFFAOYSA-N 2 2 222.292 -0.216 20 0 BBADLP Nc1nc(-n2cccn2)cc(NC2C[NH2+]C2)[nH+]1 ZINC000577833752 411971182 /nfs/dbraw/zinc/97/11/82/411971182.db2.gz BOZHMPRUMJYRQP-UHFFFAOYSA-N 2 2 231.263 -0.372 20 0 BBADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2cscn2)CC[NH2+]1 ZINC000577846543 366081911 /nfs/dbraw/zinc/08/19/11/366081911.db2.gz INYYSFKCBYVSLF-APPZFPTMSA-N 2 2 240.332 -0.037 20 0 BBADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])c2cscn2)CC[NH2+]1 ZINC000577846544 366082276 /nfs/dbraw/zinc/08/22/76/366082276.db2.gz INYYSFKCBYVSLF-VXNVDRBHSA-N 2 2 240.332 -0.037 20 0 BBADLP COc1cc[nH+]cc1Cn1nnnc1C[NH3+] ZINC000577866341 366091079 /nfs/dbraw/zinc/09/10/79/366091079.db2.gz JGLFTUBVWXBKQY-UHFFFAOYSA-N 2 2 220.236 -0.416 20 0 BBADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC000578013926 366179695 /nfs/dbraw/zinc/17/96/95/366179695.db2.gz LIUYGBRBQDJHIR-JTQLQIEISA-N 2 2 227.312 -0.429 20 0 BBADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC000578013927 366179613 /nfs/dbraw/zinc/17/96/13/366179613.db2.gz LIUYGBRBQDJHIR-SNVBAGLBSA-N 2 2 227.312 -0.429 20 0 BBADLP CCNC(=O)C[N@@H+](CC)C[C@](C)(O)C[NH2+]C ZINC000578076121 366223759 /nfs/dbraw/zinc/22/37/59/366223759.db2.gz ZNSISVUKZRSMML-LLVKDONJSA-N 2 2 231.340 -0.585 20 0 BBADLP CCNC(=O)C[N@H+](CC)C[C@](C)(O)C[NH2+]C ZINC000578076121 366223753 /nfs/dbraw/zinc/22/37/53/366223753.db2.gz ZNSISVUKZRSMML-LLVKDONJSA-N 2 2 231.340 -0.585 20 0 BBADLP CCNC(=O)C[N@@H+](CC)C[C@@](C)(O)C[NH2+]C ZINC000578076122 366223363 /nfs/dbraw/zinc/22/33/63/366223363.db2.gz ZNSISVUKZRSMML-NSHDSACASA-N 2 2 231.340 -0.585 20 0 BBADLP CCNC(=O)C[N@H+](CC)C[C@@](C)(O)C[NH2+]C ZINC000578076122 366223359 /nfs/dbraw/zinc/22/33/59/366223359.db2.gz ZNSISVUKZRSMML-NSHDSACASA-N 2 2 231.340 -0.585 20 0 BBADLP C[C@H](C[NH3+])N(C)C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000578133019 366295563 /nfs/dbraw/zinc/29/55/63/366295563.db2.gz RGMFMSDUQCBVTB-GHMZBOCLSA-N 2 2 242.367 -0.572 20 0 BBADLP C[C@H](C[NH3+])N(C)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000578133020 366295297 /nfs/dbraw/zinc/29/52/97/366295297.db2.gz RGMFMSDUQCBVTB-MNOVXSKESA-N 2 2 242.367 -0.572 20 0 BBADLP C[C@@H](C[NH3+])N(C)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000578133021 366295333 /nfs/dbraw/zinc/29/53/33/366295333.db2.gz RGMFMSDUQCBVTB-QWRGUYRKSA-N 2 2 242.367 -0.572 20 0 BBADLP C[C@H](C(=O)N(C)[C@@H](C)C[NH3+])[NH+]1CCN(C)CC1 ZINC000578133022 366284665 /nfs/dbraw/zinc/28/46/65/366284665.db2.gz RGMFMSDUQCBVTB-WDEREUQCSA-N 2 2 242.367 -0.572 20 0 BBADLP CC(C)[NH2+]C1(CO)CC[NH+](CCO)CC1 ZINC000578140384 366320675 /nfs/dbraw/zinc/32/06/75/366320675.db2.gz IBFDBENAPBZMHO-UHFFFAOYSA-N 2 2 216.325 -0.196 20 0 BBADLP Cc1nc(N)c(CNC(=O)C[NH+](C)C)c[nH+]1 ZINC000578174826 411984705 /nfs/dbraw/zinc/98/47/05/411984705.db2.gz OGIMXAXFFHYGOY-UHFFFAOYSA-N 2 2 223.280 -0.455 20 0 BBADLP COC(=O)C[C@H]1C[N@@H+](CCOCC[NH3+])CCO1 ZINC000578193508 366379344 /nfs/dbraw/zinc/37/93/44/366379344.db2.gz BPDVKEQHKJWSBL-JTQLQIEISA-N 2 2 246.307 -0.774 20 0 BBADLP COC(=O)C[C@H]1C[N@H+](CCOCC[NH3+])CCO1 ZINC000578193508 366379337 /nfs/dbraw/zinc/37/93/37/366379337.db2.gz BPDVKEQHKJWSBL-JTQLQIEISA-N 2 2 246.307 -0.774 20 0 BBADLP COC(=O)C[C@@H]1C[N@@H+](CCOCC[NH3+])CCO1 ZINC000578193509 366379909 /nfs/dbraw/zinc/37/99/09/366379909.db2.gz BPDVKEQHKJWSBL-SNVBAGLBSA-N 2 2 246.307 -0.774 20 0 BBADLP COC(=O)C[C@@H]1C[N@H+](CCOCC[NH3+])CCO1 ZINC000578193509 366379902 /nfs/dbraw/zinc/37/99/02/366379902.db2.gz BPDVKEQHKJWSBL-SNVBAGLBSA-N 2 2 246.307 -0.774 20 0 BBADLP CNS(=O)(=O)CC[NH2+]Cc1c[nH+]c(C)n1C ZINC000578248679 366471811 /nfs/dbraw/zinc/47/18/11/366471811.db2.gz PEFKHPIZALOGEK-UHFFFAOYSA-N 2 2 246.336 -0.633 20 0 BBADLP C[NH2+][C@@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000578324132 366513028 /nfs/dbraw/zinc/51/30/28/366513028.db2.gz UGIDTZJJSIQMCA-LLVKDONJSA-N 3 2 240.351 -0.898 20 0 BBADLP C[NH2+][C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000578324132 366513021 /nfs/dbraw/zinc/51/30/21/366513021.db2.gz UGIDTZJJSIQMCA-LLVKDONJSA-N 3 2 240.351 -0.898 20 0 BBADLP C[NH2+][C@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000578324133 366508461 /nfs/dbraw/zinc/50/84/61/366508461.db2.gz UGIDTZJJSIQMCA-NSHDSACASA-N 3 2 240.351 -0.898 20 0 BBADLP C[NH2+][C@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000578324133 366508454 /nfs/dbraw/zinc/50/84/54/366508454.db2.gz UGIDTZJJSIQMCA-NSHDSACASA-N 3 2 240.351 -0.898 20 0 BBADLP C[C@H]1C[N@@H+](CCNC(=O)C[NH2+]C2CC2)CCO1 ZINC000578326230 366515200 /nfs/dbraw/zinc/51/52/00/366515200.db2.gz LVHWXKZGNJPHDI-JTQLQIEISA-N 2 2 241.335 -0.425 20 0 BBADLP C[C@H]1C[N@H+](CCNC(=O)C[NH2+]C2CC2)CCO1 ZINC000578326230 366515191 /nfs/dbraw/zinc/51/51/91/366515191.db2.gz LVHWXKZGNJPHDI-JTQLQIEISA-N 2 2 241.335 -0.425 20 0 BBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[NH2+]C2CC2)CCO1 ZINC000578326231 366515342 /nfs/dbraw/zinc/51/53/42/366515342.db2.gz LVHWXKZGNJPHDI-SNVBAGLBSA-N 2 2 241.335 -0.425 20 0 BBADLP C[C@@H]1C[N@H+](CCNC(=O)C[NH2+]C2CC2)CCO1 ZINC000578326231 366515336 /nfs/dbraw/zinc/51/53/36/366515336.db2.gz LVHWXKZGNJPHDI-SNVBAGLBSA-N 2 2 241.335 -0.425 20 0 BBADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3cccnc3)CCN2C1=O ZINC000578338624 366527885 /nfs/dbraw/zinc/52/78/85/366527885.db2.gz PMPIRZCYGVOACU-NEPJUHHUSA-N 2 2 246.314 -0.175 20 0 BBADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3cccnc3)CCN2C1=O ZINC000578338624 366527880 /nfs/dbraw/zinc/52/78/80/366527880.db2.gz PMPIRZCYGVOACU-NEPJUHHUSA-N 2 2 246.314 -0.175 20 0 BBADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3cccnc3)CCN2C1=O ZINC000578338625 366528516 /nfs/dbraw/zinc/52/85/16/366528516.db2.gz PMPIRZCYGVOACU-NWDGAFQWSA-N 2 2 246.314 -0.175 20 0 BBADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3cccnc3)CCN2C1=O ZINC000578338625 366528514 /nfs/dbraw/zinc/52/85/14/366528514.db2.gz PMPIRZCYGVOACU-NWDGAFQWSA-N 2 2 246.314 -0.175 20 0 BBADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3cccnc3)CCN2C1=O ZINC000578338626 366527734 /nfs/dbraw/zinc/52/77/34/366527734.db2.gz PMPIRZCYGVOACU-RYUDHWBXSA-N 2 2 246.314 -0.175 20 0 BBADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3cccnc3)CCN2C1=O ZINC000578338626 366527724 /nfs/dbraw/zinc/52/77/24/366527724.db2.gz PMPIRZCYGVOACU-RYUDHWBXSA-N 2 2 246.314 -0.175 20 0 BBADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3cccnc3)CCN2C1=O ZINC000578338627 344759825 /nfs/dbraw/zinc/75/98/25/344759825.db2.gz PMPIRZCYGVOACU-VXGBXAGGSA-N 2 2 246.314 -0.175 20 0 BBADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3cccnc3)CCN2C1=O ZINC000578338627 344759822 /nfs/dbraw/zinc/75/98/22/344759822.db2.gz PMPIRZCYGVOACU-VXGBXAGGSA-N 2 2 246.314 -0.175 20 0 BBADLP OC[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C[C@H]1O ZINC000578396584 366554775 /nfs/dbraw/zinc/55/47/75/366554775.db2.gz ULLROZKBCUBTEL-GHMZBOCLSA-N 2 2 225.292 -0.442 20 0 BBADLP OC[C@H]1CC[N@H+](CCn2cc[nH+]c2)C[C@H]1O ZINC000578396584 366554772 /nfs/dbraw/zinc/55/47/72/366554772.db2.gz ULLROZKBCUBTEL-GHMZBOCLSA-N 2 2 225.292 -0.442 20 0 BBADLP OC[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C[C@@H]1O ZINC000578396585 366555846 /nfs/dbraw/zinc/55/58/46/366555846.db2.gz ULLROZKBCUBTEL-MNOVXSKESA-N 2 2 225.292 -0.442 20 0 BBADLP OC[C@H]1CC[N@H+](CCn2cc[nH+]c2)C[C@@H]1O ZINC000578396585 366555840 /nfs/dbraw/zinc/55/58/40/366555840.db2.gz ULLROZKBCUBTEL-MNOVXSKESA-N 2 2 225.292 -0.442 20 0 BBADLP OC[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C[C@@H]1O ZINC000578396586 366555312 /nfs/dbraw/zinc/55/53/12/366555312.db2.gz ULLROZKBCUBTEL-QWRGUYRKSA-N 2 2 225.292 -0.442 20 0 BBADLP OC[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C[C@@H]1O ZINC000578396586 366555303 /nfs/dbraw/zinc/55/53/03/366555303.db2.gz ULLROZKBCUBTEL-QWRGUYRKSA-N 2 2 225.292 -0.442 20 0 BBADLP OC[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C[C@H]1O ZINC000578396587 366555218 /nfs/dbraw/zinc/55/52/18/366555218.db2.gz ULLROZKBCUBTEL-WDEREUQCSA-N 2 2 225.292 -0.442 20 0 BBADLP OC[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C[C@H]1O ZINC000578396587 366555210 /nfs/dbraw/zinc/55/52/10/366555210.db2.gz ULLROZKBCUBTEL-WDEREUQCSA-N 2 2 225.292 -0.442 20 0 BBADLP Nc1ccc(NC(=O)C[C@@H]2C[NH2+]CCO2)c[nH+]1 ZINC000578442978 411957270 /nfs/dbraw/zinc/95/72/70/411957270.db2.gz QXHQOSTUCKPUOE-SECBINFHSA-N 2 2 236.275 -0.019 20 0 BBADLP Nc1ccc(NC(=O)C[C@H]2C[NH2+]CCO2)c[nH+]1 ZINC000578442979 411957352 /nfs/dbraw/zinc/95/73/52/411957352.db2.gz QXHQOSTUCKPUOE-VIFPVBQESA-N 2 2 236.275 -0.019 20 0 BBADLP CCC[NH+](CC(N)=O)C[C@@H](O)C[N@@H+](C)CC ZINC000578518651 366587306 /nfs/dbraw/zinc/58/73/06/366587306.db2.gz CGADNEGXFSFEQT-JTQLQIEISA-N 2 2 231.340 -0.504 20 0 BBADLP CCC[NH+](CC(N)=O)C[C@@H](O)C[N@H+](C)CC ZINC000578518651 366587302 /nfs/dbraw/zinc/58/73/02/366587302.db2.gz CGADNEGXFSFEQT-JTQLQIEISA-N 2 2 231.340 -0.504 20 0 BBADLP CCC[N@H+](CC(N)=O)C[C@@H](O)C[NH+](C)CC ZINC000578518651 366587292 /nfs/dbraw/zinc/58/72/92/366587292.db2.gz CGADNEGXFSFEQT-JTQLQIEISA-N 2 2 231.340 -0.504 20 0 BBADLP CCC[N@@H+](CC(N)=O)C[C@@H](O)C[NH+](C)CC ZINC000578518651 366587283 /nfs/dbraw/zinc/58/72/83/366587283.db2.gz CGADNEGXFSFEQT-JTQLQIEISA-N 2 2 231.340 -0.504 20 0 BBADLP CCC[NH+](CC(N)=O)C[C@H](O)C[N@@H+](C)CC ZINC000578518652 366587240 /nfs/dbraw/zinc/58/72/40/366587240.db2.gz CGADNEGXFSFEQT-SNVBAGLBSA-N 2 2 231.340 -0.504 20 0 BBADLP CCC[NH+](CC(N)=O)C[C@H](O)C[N@H+](C)CC ZINC000578518652 366587238 /nfs/dbraw/zinc/58/72/38/366587238.db2.gz CGADNEGXFSFEQT-SNVBAGLBSA-N 2 2 231.340 -0.504 20 0 BBADLP CCC[N@H+](CC(N)=O)C[C@H](O)C[NH+](C)CC ZINC000578518652 366587234 /nfs/dbraw/zinc/58/72/34/366587234.db2.gz CGADNEGXFSFEQT-SNVBAGLBSA-N 2 2 231.340 -0.504 20 0 BBADLP CCC[N@@H+](CC(N)=O)C[C@H](O)C[NH+](C)CC ZINC000578518652 366587233 /nfs/dbraw/zinc/58/72/33/366587233.db2.gz CGADNEGXFSFEQT-SNVBAGLBSA-N 2 2 231.340 -0.504 20 0 BBADLP CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)[C@@H](C)CO ZINC000578519941 366588289 /nfs/dbraw/zinc/58/82/89/366588289.db2.gz LMOMPCBQCWIEDJ-NWDGAFQWSA-N 2 2 248.367 -0.372 20 0 BBADLP CC[NH+](C[C@H](O)C[N@H+](C)CCOC)[C@@H](C)CO ZINC000578519941 366588287 /nfs/dbraw/zinc/58/82/87/366588287.db2.gz LMOMPCBQCWIEDJ-NWDGAFQWSA-N 2 2 248.367 -0.372 20 0 BBADLP CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)[C@@H](C)CO ZINC000578519941 366588282 /nfs/dbraw/zinc/58/82/82/366588282.db2.gz LMOMPCBQCWIEDJ-NWDGAFQWSA-N 2 2 248.367 -0.372 20 0 BBADLP CC[N@H+](C[C@H](O)C[NH+](C)CCOC)[C@@H](C)CO ZINC000578519941 366588275 /nfs/dbraw/zinc/58/82/75/366588275.db2.gz LMOMPCBQCWIEDJ-NWDGAFQWSA-N 2 2 248.367 -0.372 20 0 BBADLP CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)[C@@H](C)CO ZINC000578519942 366587719 /nfs/dbraw/zinc/58/77/19/366587719.db2.gz LMOMPCBQCWIEDJ-RYUDHWBXSA-N 2 2 248.367 -0.372 20 0 BBADLP CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)[C@@H](C)CO ZINC000578519942 366587716 /nfs/dbraw/zinc/58/77/16/366587716.db2.gz LMOMPCBQCWIEDJ-RYUDHWBXSA-N 2 2 248.367 -0.372 20 0 BBADLP CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)[C@@H](C)CO ZINC000578519942 366587708 /nfs/dbraw/zinc/58/77/08/366587708.db2.gz LMOMPCBQCWIEDJ-RYUDHWBXSA-N 2 2 248.367 -0.372 20 0 BBADLP CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)[C@@H](C)CO ZINC000578519942 366587703 /nfs/dbraw/zinc/58/77/03/366587703.db2.gz LMOMPCBQCWIEDJ-RYUDHWBXSA-N 2 2 248.367 -0.372 20 0 BBADLP CCS(=O)(=O)NCCC[N@H+]1CCC[NH2+]CC1 ZINC000578532847 366582754 /nfs/dbraw/zinc/58/27/54/366582754.db2.gz JRVGCXBSJVBYFY-UHFFFAOYSA-N 2 2 249.380 -0.389 20 0 BBADLP CCS(=O)(=O)NCCC[N@@H+]1CCC[NH2+]CC1 ZINC000578532847 366582749 /nfs/dbraw/zinc/58/27/49/366582749.db2.gz JRVGCXBSJVBYFY-UHFFFAOYSA-N 2 2 249.380 -0.389 20 0 BBADLP CN(CC[NH+](C)C)C(=O)Cc1c[nH+]cn1C ZINC000578540733 366594475 /nfs/dbraw/zinc/59/44/75/366594475.db2.gz YIMXEWPQXQAEFJ-UHFFFAOYSA-N 2 2 224.308 -0.017 20 0 BBADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000578584711 366601676 /nfs/dbraw/zinc/60/16/76/366601676.db2.gz XQGSGCUVMNOAMZ-PHIMTYICSA-N 2 2 248.330 -0.017 20 0 BBADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000578584711 366601670 /nfs/dbraw/zinc/60/16/70/366601670.db2.gz XQGSGCUVMNOAMZ-PHIMTYICSA-N 2 2 248.330 -0.017 20 0 BBADLP Nc1ncc(C[NH2+]C[C@H]2C[NH2+]CCO2)s1 ZINC000578651633 411959698 /nfs/dbraw/zinc/95/96/98/411959698.db2.gz DSRQCCHEECJFPR-SSDOTTSWSA-N 2 2 228.321 -0.197 20 0 BBADLP Nc1ncc(C[NH2+]C[C@@H]2C[NH2+]CCO2)s1 ZINC000578651634 411963303 /nfs/dbraw/zinc/96/33/03/411963303.db2.gz DSRQCCHEECJFPR-ZETCQYMHSA-N 2 2 228.321 -0.197 20 0 BBADLP C[N@@H+](CCC(=O)N1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000578749731 366638264 /nfs/dbraw/zinc/63/82/64/366638264.db2.gz ARUUMVOARVEAKE-LLVKDONJSA-N 2 2 241.335 -0.471 20 0 BBADLP C[N@H+](CCC(=O)N1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000578749731 366638259 /nfs/dbraw/zinc/63/82/59/366638259.db2.gz ARUUMVOARVEAKE-LLVKDONJSA-N 2 2 241.335 -0.471 20 0 BBADLP C[N@@H+](CCC(=O)N1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000578749732 366638006 /nfs/dbraw/zinc/63/80/06/366638006.db2.gz ARUUMVOARVEAKE-NSHDSACASA-N 2 2 241.335 -0.471 20 0 BBADLP C[N@H+](CCC(=O)N1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000578749732 366638001 /nfs/dbraw/zinc/63/80/01/366638001.db2.gz ARUUMVOARVEAKE-NSHDSACASA-N 2 2 241.335 -0.471 20 0 BBADLP Cc1noc(CCC[N@@H+](CC[NH3+])CCO)n1 ZINC000578750038 366637827 /nfs/dbraw/zinc/63/78/27/366637827.db2.gz YSCCUXJBBZSSJL-UHFFFAOYSA-N 2 2 228.296 -0.436 20 0 BBADLP Cc1noc(CCC[N@H+](CC[NH3+])CCO)n1 ZINC000578750038 366637821 /nfs/dbraw/zinc/63/78/21/366637821.db2.gz YSCCUXJBBZSSJL-UHFFFAOYSA-N 2 2 228.296 -0.436 20 0 BBADLP CC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000578863488 366660119 /nfs/dbraw/zinc/66/01/19/366660119.db2.gz LRZTZUCKACEJKY-SNVBAGLBSA-N 2 2 243.351 -0.049 20 0 BBADLP O=C(Cn1cc[nH+]c1)NCC[NH+]1CCC1 ZINC000578946403 366677469 /nfs/dbraw/zinc/67/74/69/366677469.db2.gz VYSYIIHAYCOJIS-UHFFFAOYSA-N 2 2 208.265 -0.295 20 0 BBADLP COCCCNC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000579123781 366718019 /nfs/dbraw/zinc/71/80/19/366718019.db2.gz VRAWZSQYUIPWOM-UHFFFAOYSA-N 2 2 229.324 -0.390 20 0 BBADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[NH2+]CCO2)C1 ZINC000579128824 366720987 /nfs/dbraw/zinc/72/09/87/366720987.db2.gz RSXHFTCSNGNYGD-GMTAPVOTSA-N 3 2 213.325 -0.166 20 0 BBADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCO2)C1 ZINC000579128825 366720119 /nfs/dbraw/zinc/72/01/19/366720119.db2.gz RSXHFTCSNGNYGD-MXWKQRLJSA-N 3 2 213.325 -0.166 20 0 BBADLP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]CCO2)C1 ZINC000579128826 366720767 /nfs/dbraw/zinc/72/07/67/366720767.db2.gz RSXHFTCSNGNYGD-OUAUKWLOSA-N 3 2 213.325 -0.166 20 0 BBADLP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)C1 ZINC000579128827 366720948 /nfs/dbraw/zinc/72/09/48/366720948.db2.gz RSXHFTCSNGNYGD-VWYCJHECSA-N 3 2 213.325 -0.166 20 0 BBADLP CCOCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000579138478 366723640 /nfs/dbraw/zinc/72/36/40/366723640.db2.gz RRAGINOWWDHUGJ-GHMZBOCLSA-N 2 2 243.351 -0.049 20 0 BBADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000579138478 366723635 /nfs/dbraw/zinc/72/36/35/366723635.db2.gz RRAGINOWWDHUGJ-GHMZBOCLSA-N 2 2 243.351 -0.049 20 0 BBADLP CCOCCNC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000579138479 366723102 /nfs/dbraw/zinc/72/31/02/366723102.db2.gz RRAGINOWWDHUGJ-MNOVXSKESA-N 2 2 243.351 -0.049 20 0 BBADLP CCOCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000579138479 366723100 /nfs/dbraw/zinc/72/31/00/366723100.db2.gz RRAGINOWWDHUGJ-MNOVXSKESA-N 2 2 243.351 -0.049 20 0 BBADLP CCOCCNC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000579138480 366723087 /nfs/dbraw/zinc/72/30/87/366723087.db2.gz RRAGINOWWDHUGJ-QWRGUYRKSA-N 2 2 243.351 -0.049 20 0 BBADLP CCOCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000579138480 366723080 /nfs/dbraw/zinc/72/30/80/366723080.db2.gz RRAGINOWWDHUGJ-QWRGUYRKSA-N 2 2 243.351 -0.049 20 0 BBADLP CCOCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000579138481 366722812 /nfs/dbraw/zinc/72/28/12/366722812.db2.gz RRAGINOWWDHUGJ-WDEREUQCSA-N 2 2 243.351 -0.049 20 0 BBADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000579138481 366722807 /nfs/dbraw/zinc/72/28/07/366722807.db2.gz RRAGINOWWDHUGJ-WDEREUQCSA-N 2 2 243.351 -0.049 20 0 BBADLP COC(=O)CCNC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000579231359 366739296 /nfs/dbraw/zinc/73/92/96/366739296.db2.gz BXNOXMMTIHBCPG-UHFFFAOYSA-N 2 2 243.307 -0.863 20 0 BBADLP CO[C@@H](C[NH3+])CC(=O)Nc1ccc(N)[nH+]c1 ZINC000579239948 411896315 /nfs/dbraw/zinc/89/63/15/411896315.db2.gz URSZGHURLOPFKC-MRVPVSSYSA-N 2 2 224.264 -0.034 20 0 BBADLP CO[C@H](C[NH3+])CC(=O)Nc1ccc(N)[nH+]c1 ZINC000579239949 411893866 /nfs/dbraw/zinc/89/38/66/411893866.db2.gz URSZGHURLOPFKC-QMMMGPOBSA-N 2 2 224.264 -0.034 20 0 BBADLP [NH3+]CC[N@@H+](CCO)C[C@H]1CCCC[C@H]1O ZINC000579240195 366743918 /nfs/dbraw/zinc/74/39/18/366743918.db2.gz FEVPHRQQLMEURV-GHMZBOCLSA-N 2 2 216.325 -0.210 20 0 BBADLP [NH3+]CC[N@H+](CCO)C[C@H]1CCCC[C@H]1O ZINC000579240195 366743916 /nfs/dbraw/zinc/74/39/16/366743916.db2.gz FEVPHRQQLMEURV-GHMZBOCLSA-N 2 2 216.325 -0.210 20 0 BBADLP [NH3+]CC[N@@H+](CCO)C[C@H]1CCCC[C@@H]1O ZINC000579240196 366741592 /nfs/dbraw/zinc/74/15/92/366741592.db2.gz FEVPHRQQLMEURV-MNOVXSKESA-N 2 2 216.325 -0.210 20 0 BBADLP [NH3+]CC[N@H+](CCO)C[C@H]1CCCC[C@@H]1O ZINC000579240196 366741585 /nfs/dbraw/zinc/74/15/85/366741585.db2.gz FEVPHRQQLMEURV-MNOVXSKESA-N 2 2 216.325 -0.210 20 0 BBADLP [NH3+]CC[N@@H+](CCO)C[C@@H]1CCCC[C@@H]1O ZINC000579240197 366742428 /nfs/dbraw/zinc/74/24/28/366742428.db2.gz FEVPHRQQLMEURV-QWRGUYRKSA-N 2 2 216.325 -0.210 20 0 BBADLP [NH3+]CC[N@H+](CCO)C[C@@H]1CCCC[C@@H]1O ZINC000579240197 366742422 /nfs/dbraw/zinc/74/24/22/366742422.db2.gz FEVPHRQQLMEURV-QWRGUYRKSA-N 2 2 216.325 -0.210 20 0 BBADLP [NH3+]CC[N@@H+](CCO)C[C@@H]1CCCC[C@H]1O ZINC000579240198 366741610 /nfs/dbraw/zinc/74/16/10/366741610.db2.gz FEVPHRQQLMEURV-WDEREUQCSA-N 2 2 216.325 -0.210 20 0 BBADLP [NH3+]CC[N@H+](CCO)C[C@@H]1CCCC[C@H]1O ZINC000579240198 366741606 /nfs/dbraw/zinc/74/16/06/366741606.db2.gz FEVPHRQQLMEURV-WDEREUQCSA-N 2 2 216.325 -0.210 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CCNC(=O)C(C)C ZINC000579240269 366744149 /nfs/dbraw/zinc/74/41/49/366744149.db2.gz HYORJLLXZUXUDV-GFCCVEGCSA-N 2 2 245.367 -0.339 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)CCNC(=O)C(C)C ZINC000579240269 366744147 /nfs/dbraw/zinc/74/41/47/366744147.db2.gz HYORJLLXZUXUDV-GFCCVEGCSA-N 2 2 245.367 -0.339 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)CCNC(=O)C(C)C ZINC000579240270 366743682 /nfs/dbraw/zinc/74/36/82/366743682.db2.gz HYORJLLXZUXUDV-LBPRGKRZSA-N 2 2 245.367 -0.339 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+](C)CCNC(=O)C(C)C ZINC000579240270 366743678 /nfs/dbraw/zinc/74/36/78/366743678.db2.gz HYORJLLXZUXUDV-LBPRGKRZSA-N 2 2 245.367 -0.339 20 0 BBADLP C[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000579251660 366748847 /nfs/dbraw/zinc/74/88/47/366748847.db2.gz FHBPDYFOTVIHQH-JTQLQIEISA-N 2 2 243.351 -0.179 20 0 BBADLP C[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000579251660 366748839 /nfs/dbraw/zinc/74/88/39/366748839.db2.gz FHBPDYFOTVIHQH-JTQLQIEISA-N 2 2 243.351 -0.179 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000579254375 366748825 /nfs/dbraw/zinc/74/88/25/366748825.db2.gz HUYRCUAJDOFZJK-GHMZBOCLSA-N 2 2 228.336 -0.244 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000579254375 366748821 /nfs/dbraw/zinc/74/88/21/366748821.db2.gz HUYRCUAJDOFZJK-GHMZBOCLSA-N 2 2 228.336 -0.244 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)C2(CC2)C1 ZINC000579254375 366748816 /nfs/dbraw/zinc/74/88/16/366748816.db2.gz HUYRCUAJDOFZJK-GHMZBOCLSA-N 2 2 228.336 -0.244 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)C2(CC2)C1 ZINC000579254375 366748808 /nfs/dbraw/zinc/74/88/08/366748808.db2.gz HUYRCUAJDOFZJK-GHMZBOCLSA-N 2 2 228.336 -0.244 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000579254376 366748417 /nfs/dbraw/zinc/74/84/17/366748417.db2.gz HUYRCUAJDOFZJK-MNOVXSKESA-N 2 2 228.336 -0.244 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000579254376 366748416 /nfs/dbraw/zinc/74/84/16/366748416.db2.gz HUYRCUAJDOFZJK-MNOVXSKESA-N 2 2 228.336 -0.244 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)C2(CC2)C1 ZINC000579254376 366748412 /nfs/dbraw/zinc/74/84/12/366748412.db2.gz HUYRCUAJDOFZJK-MNOVXSKESA-N 2 2 228.336 -0.244 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)C2(CC2)C1 ZINC000579254376 366748405 /nfs/dbraw/zinc/74/84/05/366748405.db2.gz HUYRCUAJDOFZJK-MNOVXSKESA-N 2 2 228.336 -0.244 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000579254377 366748145 /nfs/dbraw/zinc/74/81/45/366748145.db2.gz HUYRCUAJDOFZJK-QWRGUYRKSA-N 2 2 228.336 -0.244 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000579254377 366748140 /nfs/dbraw/zinc/74/81/40/366748140.db2.gz HUYRCUAJDOFZJK-QWRGUYRKSA-N 2 2 228.336 -0.244 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C2(CC2)C1 ZINC000579254377 366748134 /nfs/dbraw/zinc/74/81/34/366748134.db2.gz HUYRCUAJDOFZJK-QWRGUYRKSA-N 2 2 228.336 -0.244 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C2(CC2)C1 ZINC000579254377 366748129 /nfs/dbraw/zinc/74/81/29/366748129.db2.gz HUYRCUAJDOFZJK-QWRGUYRKSA-N 2 2 228.336 -0.244 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000579254378 366748370 /nfs/dbraw/zinc/74/83/70/366748370.db2.gz HUYRCUAJDOFZJK-WDEREUQCSA-N 2 2 228.336 -0.244 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000579254378 366748368 /nfs/dbraw/zinc/74/83/68/366748368.db2.gz HUYRCUAJDOFZJK-WDEREUQCSA-N 2 2 228.336 -0.244 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C2(CC2)C1 ZINC000579254378 366748362 /nfs/dbraw/zinc/74/83/62/366748362.db2.gz HUYRCUAJDOFZJK-WDEREUQCSA-N 2 2 228.336 -0.244 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C2(CC2)C1 ZINC000579254378 366748357 /nfs/dbraw/zinc/74/83/57/366748357.db2.gz HUYRCUAJDOFZJK-WDEREUQCSA-N 2 2 228.336 -0.244 20 0 BBADLP COC(=O)CC[N@@H+](CC[NH3+])C[C@@H]1CCCO1 ZINC000579335028 366761067 /nfs/dbraw/zinc/76/10/67/366761067.db2.gz LQHFMLWEVVJDMQ-JTQLQIEISA-N 2 2 230.308 -0.011 20 0 BBADLP COC(=O)CC[N@H+](CC[NH3+])C[C@@H]1CCCO1 ZINC000579335028 366761063 /nfs/dbraw/zinc/76/10/63/366761063.db2.gz LQHFMLWEVVJDMQ-JTQLQIEISA-N 2 2 230.308 -0.011 20 0 BBADLP COC(=O)CC[N@@H+](CC[NH3+])C[C@H]1CCCO1 ZINC000579335030 366760869 /nfs/dbraw/zinc/76/08/69/366760869.db2.gz LQHFMLWEVVJDMQ-SNVBAGLBSA-N 2 2 230.308 -0.011 20 0 BBADLP COC(=O)CC[N@H+](CC[NH3+])C[C@H]1CCCO1 ZINC000579335030 366760868 /nfs/dbraw/zinc/76/08/68/366760868.db2.gz LQHFMLWEVVJDMQ-SNVBAGLBSA-N 2 2 230.308 -0.011 20 0 BBADLP Cc1nc(N2CCN(C(=O)CC[NH3+])CC2)cc[nH+]1 ZINC000579351277 366765986 /nfs/dbraw/zinc/76/59/86/366765986.db2.gz HXRWOGGXKBNTLJ-UHFFFAOYSA-N 2 2 249.318 -0.218 20 0 BBADLP [NH3+]C1(C[NH2+]CC(=O)NC[C@@H]2CCCO2)CCC1 ZINC000579354922 366768187 /nfs/dbraw/zinc/76/81/87/366768187.db2.gz RDNQOBYJVINELO-JTQLQIEISA-N 2 2 241.335 -0.247 20 0 BBADLP [NH3+]C1(C[NH2+]CC(=O)NC[C@H]2CCCO2)CCC1 ZINC000579354923 366767880 /nfs/dbraw/zinc/76/78/80/366767880.db2.gz RDNQOBYJVINELO-SNVBAGLBSA-N 2 2 241.335 -0.247 20 0 BBADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C[NH3+])CC1 ZINC000579359076 366770237 /nfs/dbraw/zinc/77/02/37/366770237.db2.gz CBWILAYHAOYIPT-UHFFFAOYSA-N 3 2 249.318 -0.269 20 0 BBADLP O=C(N1CCn2cc[nH+]c2C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000579359325 366769726 /nfs/dbraw/zinc/76/97/26/366769726.db2.gz KKXZQUPJZTXRRJ-SKDRFNHKSA-N 2 2 232.287 -0.023 20 0 BBADLP c1c[nH+]c(N2CC[NH+](CCn3cncn3)CC2)[nH]1 ZINC000579370035 366771373 /nfs/dbraw/zinc/77/13/73/366771373.db2.gz VJXSQDAXQWDZKQ-UHFFFAOYSA-N 2 2 247.306 -0.177 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000579430191 366782346 /nfs/dbraw/zinc/78/23/46/366782346.db2.gz JFCGTJFPXWKIQE-JTQLQIEISA-N 2 2 245.367 -0.115 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000579430191 366782341 /nfs/dbraw/zinc/78/23/41/366782341.db2.gz JFCGTJFPXWKIQE-JTQLQIEISA-N 2 2 245.367 -0.115 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+](CC(N)=O)C(C)(C)C ZINC000579430191 366782339 /nfs/dbraw/zinc/78/23/39/366782339.db2.gz JFCGTJFPXWKIQE-JTQLQIEISA-N 2 2 245.367 -0.115 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+](CC(N)=O)C(C)(C)C ZINC000579430191 366782334 /nfs/dbraw/zinc/78/23/34/366782334.db2.gz JFCGTJFPXWKIQE-JTQLQIEISA-N 2 2 245.367 -0.115 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000579430192 366781943 /nfs/dbraw/zinc/78/19/43/366781943.db2.gz JFCGTJFPXWKIQE-SNVBAGLBSA-N 2 2 245.367 -0.115 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000579430192 366781938 /nfs/dbraw/zinc/78/19/38/366781938.db2.gz JFCGTJFPXWKIQE-SNVBAGLBSA-N 2 2 245.367 -0.115 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+](CC(N)=O)C(C)(C)C ZINC000579430192 366781933 /nfs/dbraw/zinc/78/19/33/366781933.db2.gz JFCGTJFPXWKIQE-SNVBAGLBSA-N 2 2 245.367 -0.115 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+](CC(N)=O)C(C)(C)C ZINC000579430192 366781928 /nfs/dbraw/zinc/78/19/28/366781928.db2.gz JFCGTJFPXWKIQE-SNVBAGLBSA-N 2 2 245.367 -0.115 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000579601962 366901497 /nfs/dbraw/zinc/90/14/97/366901497.db2.gz JXFBZVLGMRBDBQ-GHMZBOCLSA-N 3 2 215.341 -0.373 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000579601962 366901493 /nfs/dbraw/zinc/90/14/93/366901493.db2.gz JXFBZVLGMRBDBQ-GHMZBOCLSA-N 3 2 215.341 -0.373 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000579601963 366900911 /nfs/dbraw/zinc/90/09/11/366900911.db2.gz JXFBZVLGMRBDBQ-MNOVXSKESA-N 3 2 215.341 -0.373 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000579601963 366900906 /nfs/dbraw/zinc/90/09/06/366900906.db2.gz JXFBZVLGMRBDBQ-MNOVXSKESA-N 3 2 215.341 -0.373 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000579601964 366901297 /nfs/dbraw/zinc/90/12/97/366901297.db2.gz JXFBZVLGMRBDBQ-QWRGUYRKSA-N 3 2 215.341 -0.373 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000579601964 366901295 /nfs/dbraw/zinc/90/12/95/366901295.db2.gz JXFBZVLGMRBDBQ-QWRGUYRKSA-N 3 2 215.341 -0.373 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000579601965 366901367 /nfs/dbraw/zinc/90/13/67/366901367.db2.gz JXFBZVLGMRBDBQ-WDEREUQCSA-N 3 2 215.341 -0.373 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000579601965 366901361 /nfs/dbraw/zinc/90/13/61/366901361.db2.gz JXFBZVLGMRBDBQ-WDEREUQCSA-N 3 2 215.341 -0.373 20 0 BBADLP C[C@H](C[NH2+]CCn1cc[nH+]c1)S(C)(=O)=O ZINC000579701010 366983158 /nfs/dbraw/zinc/98/31/58/366983158.db2.gz SUDQHQBFJODQCE-SECBINFHSA-N 2 2 231.321 -0.094 20 0 BBADLP C[C@@H](C[NH2+]CCn1cc[nH+]c1)S(C)(=O)=O ZINC000579701017 366982622 /nfs/dbraw/zinc/98/26/22/366982622.db2.gz SUDQHQBFJODQCE-VIFPVBQESA-N 2 2 231.321 -0.094 20 0 BBADLP C[C@@H](C[NH3+])[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000579712983 366989062 /nfs/dbraw/zinc/98/90/62/366989062.db2.gz QUNCEDWRBCOGCN-JTQLQIEISA-N 3 2 228.340 -0.913 20 0 BBADLP C[C@@H](C[NH3+])[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000579712983 366989060 /nfs/dbraw/zinc/98/90/60/366989060.db2.gz QUNCEDWRBCOGCN-JTQLQIEISA-N 3 2 228.340 -0.913 20 0 BBADLP C[C@H](C[NH3+])[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000579712984 366989237 /nfs/dbraw/zinc/98/92/37/366989237.db2.gz QUNCEDWRBCOGCN-SNVBAGLBSA-N 3 2 228.340 -0.913 20 0 BBADLP C[C@H](C[NH3+])[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000579712984 366989233 /nfs/dbraw/zinc/98/92/33/366989233.db2.gz QUNCEDWRBCOGCN-SNVBAGLBSA-N 3 2 228.340 -0.913 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCNC(C)=O ZINC000579728116 366994793 /nfs/dbraw/zinc/99/47/93/366994793.db2.gz CVGPDTAPNGFDHW-LLVKDONJSA-N 2 2 231.340 -0.633 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCNC(C)=O ZINC000579728116 366994784 /nfs/dbraw/zinc/99/47/84/366994784.db2.gz CVGPDTAPNGFDHW-LLVKDONJSA-N 2 2 231.340 -0.633 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCNC(C)=O ZINC000579728116 366994779 /nfs/dbraw/zinc/99/47/79/366994779.db2.gz CVGPDTAPNGFDHW-LLVKDONJSA-N 2 2 231.340 -0.633 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCNC(C)=O ZINC000579728116 366994774 /nfs/dbraw/zinc/99/47/74/366994774.db2.gz CVGPDTAPNGFDHW-LLVKDONJSA-N 2 2 231.340 -0.633 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCNC(C)=O ZINC000579728118 366995298 /nfs/dbraw/zinc/99/52/98/366995298.db2.gz CVGPDTAPNGFDHW-NSHDSACASA-N 2 2 231.340 -0.633 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+](C)CCNC(C)=O ZINC000579728118 366995292 /nfs/dbraw/zinc/99/52/92/366995292.db2.gz CVGPDTAPNGFDHW-NSHDSACASA-N 2 2 231.340 -0.633 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCNC(C)=O ZINC000579728118 366995286 /nfs/dbraw/zinc/99/52/86/366995286.db2.gz CVGPDTAPNGFDHW-NSHDSACASA-N 2 2 231.340 -0.633 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+](C)CCNC(C)=O ZINC000579728118 366995284 /nfs/dbraw/zinc/99/52/84/366995284.db2.gz CVGPDTAPNGFDHW-NSHDSACASA-N 2 2 231.340 -0.633 20 0 BBADLP OCCOCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000579849092 367048389 /nfs/dbraw/zinc/04/83/89/367048389.db2.gz JCMZTZCMZQUEIP-UHFFFAOYSA-N 2 2 240.307 -0.459 20 0 BBADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000579954753 367100839 /nfs/dbraw/zinc/10/08/39/367100839.db2.gz TVGICTNVAUVNAM-AXFHLTTASA-N 3 2 240.351 -0.914 20 0 BBADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000579954753 367100837 /nfs/dbraw/zinc/10/08/37/367100837.db2.gz TVGICTNVAUVNAM-AXFHLTTASA-N 3 2 240.351 -0.914 20 0 BBADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000579954754 367101090 /nfs/dbraw/zinc/10/10/90/367101090.db2.gz TVGICTNVAUVNAM-DCAQKATOSA-N 3 2 240.351 -0.914 20 0 BBADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000579954754 367101087 /nfs/dbraw/zinc/10/10/87/367101087.db2.gz TVGICTNVAUVNAM-DCAQKATOSA-N 3 2 240.351 -0.914 20 0 BBADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000579954755 367100810 /nfs/dbraw/zinc/10/08/10/367100810.db2.gz TVGICTNVAUVNAM-GARJFASQSA-N 3 2 240.351 -0.914 20 0 BBADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000579954755 367100807 /nfs/dbraw/zinc/10/08/07/367100807.db2.gz TVGICTNVAUVNAM-GARJFASQSA-N 3 2 240.351 -0.914 20 0 BBADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000579954756 367101226 /nfs/dbraw/zinc/10/12/26/367101226.db2.gz TVGICTNVAUVNAM-HBNTYKKESA-N 3 2 240.351 -0.914 20 0 BBADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000579954756 367101220 /nfs/dbraw/zinc/10/12/20/367101220.db2.gz TVGICTNVAUVNAM-HBNTYKKESA-N 3 2 240.351 -0.914 20 0 BBADLP C[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000580074410 346510352 /nfs/dbraw/zinc/51/03/52/346510352.db2.gz RYPHALLVNCMCEI-QWRGUYRKSA-N 2 2 216.325 -0.196 20 0 BBADLP C[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000580074410 346510349 /nfs/dbraw/zinc/51/03/49/346510349.db2.gz RYPHALLVNCMCEI-QWRGUYRKSA-N 2 2 216.325 -0.196 20 0 BBADLP C[C@H](O)C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000580074411 346510387 /nfs/dbraw/zinc/51/03/87/346510387.db2.gz RYPHALLVNCMCEI-WDEREUQCSA-N 2 2 216.325 -0.196 20 0 BBADLP C[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000580074411 346510384 /nfs/dbraw/zinc/51/03/84/346510384.db2.gz RYPHALLVNCMCEI-WDEREUQCSA-N 2 2 216.325 -0.196 20 0 BBADLP C[NH+](C)C1(C[NH2+]CCC(=O)NC(N)=O)CCC1 ZINC000580184273 346631785 /nfs/dbraw/zinc/63/17/85/346631785.db2.gz ONBOVFBRUHMZEQ-UHFFFAOYSA-N 2 2 242.323 -0.355 20 0 BBADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000580315387 384947748 /nfs/dbraw/zinc/94/77/48/384947748.db2.gz GKYXJQJOZIZJGF-BDAKNGLRSA-N 2 2 243.307 -0.961 20 0 BBADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000580315387 384947744 /nfs/dbraw/zinc/94/77/44/384947744.db2.gz GKYXJQJOZIZJGF-BDAKNGLRSA-N 2 2 243.307 -0.961 20 0 BBADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000580315388 384946688 /nfs/dbraw/zinc/94/66/88/384946688.db2.gz GKYXJQJOZIZJGF-IUCAKERBSA-N 2 2 243.307 -0.961 20 0 BBADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000580315388 384946682 /nfs/dbraw/zinc/94/66/82/384946682.db2.gz GKYXJQJOZIZJGF-IUCAKERBSA-N 2 2 243.307 -0.961 20 0 BBADLP COCC[N@@H+](C)CC[NH2+]C[C@H](O)CSC ZINC000580423199 359536661 /nfs/dbraw/zinc/53/66/61/359536661.db2.gz IYJOTHZUTUUNRM-JTQLQIEISA-N 2 2 236.381 -0.122 20 0 BBADLP COCC[N@H+](C)CC[NH2+]C[C@H](O)CSC ZINC000580423199 359536656 /nfs/dbraw/zinc/53/66/56/359536656.db2.gz IYJOTHZUTUUNRM-JTQLQIEISA-N 2 2 236.381 -0.122 20 0 BBADLP COCC[N@@H+](C)CC[NH2+]C[C@@H](O)CSC ZINC000580423200 359536255 /nfs/dbraw/zinc/53/62/55/359536255.db2.gz IYJOTHZUTUUNRM-SNVBAGLBSA-N 2 2 236.381 -0.122 20 0 BBADLP COCC[N@H+](C)CC[NH2+]C[C@@H](O)CSC ZINC000580423200 359536253 /nfs/dbraw/zinc/53/62/53/359536253.db2.gz IYJOTHZUTUUNRM-SNVBAGLBSA-N 2 2 236.381 -0.122 20 0 BBADLP C[C@H](c1nnnn1C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000580564987 365781540 /nfs/dbraw/zinc/78/15/40/365781540.db2.gz PRSCLMSVOFXKAC-HLTSFMKQSA-N 2 2 224.312 -0.060 20 0 BBADLP C[C@H](c1nnnn1C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000580564987 365781534 /nfs/dbraw/zinc/78/15/34/365781534.db2.gz PRSCLMSVOFXKAC-HLTSFMKQSA-N 2 2 224.312 -0.060 20 0 BBADLP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000580564988 365781203 /nfs/dbraw/zinc/78/12/03/365781203.db2.gz PRSCLMSVOFXKAC-HRDYMLBCSA-N 2 2 224.312 -0.060 20 0 BBADLP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000580564988 365781200 /nfs/dbraw/zinc/78/12/00/365781200.db2.gz PRSCLMSVOFXKAC-HRDYMLBCSA-N 2 2 224.312 -0.060 20 0 BBADLP C[C@H](c1nnnn1C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000580564989 365781611 /nfs/dbraw/zinc/78/16/11/365781611.db2.gz PRSCLMSVOFXKAC-IWSPIJDZSA-N 2 2 224.312 -0.060 20 0 BBADLP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000580564989 365781608 /nfs/dbraw/zinc/78/16/08/365781608.db2.gz PRSCLMSVOFXKAC-IWSPIJDZSA-N 2 2 224.312 -0.060 20 0 BBADLP C[C@@H](c1nnnn1C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000580564990 365781828 /nfs/dbraw/zinc/78/18/28/365781828.db2.gz PRSCLMSVOFXKAC-VGMNWLOBSA-N 2 2 224.312 -0.060 20 0 BBADLP C[C@@H](c1nnnn1C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000580564990 365781824 /nfs/dbraw/zinc/78/18/24/365781824.db2.gz PRSCLMSVOFXKAC-VGMNWLOBSA-N 2 2 224.312 -0.060 20 0 BBADLP C[NH2+]C[C@@H](C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000580567646 365773745 /nfs/dbraw/zinc/77/37/45/365773745.db2.gz GYFUBSVTPNKFEF-GHMZBOCLSA-N 2 2 243.351 -0.321 20 0 BBADLP C[NH2+]C[C@@H](C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000580567646 365773741 /nfs/dbraw/zinc/77/37/41/365773741.db2.gz GYFUBSVTPNKFEF-GHMZBOCLSA-N 2 2 243.351 -0.321 20 0 BBADLP C[NH2+]C[C@@H](C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000580567647 365773875 /nfs/dbraw/zinc/77/38/75/365773875.db2.gz GYFUBSVTPNKFEF-MNOVXSKESA-N 2 2 243.351 -0.321 20 0 BBADLP C[NH2+]C[C@@H](C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000580567647 365773870 /nfs/dbraw/zinc/77/38/70/365773870.db2.gz GYFUBSVTPNKFEF-MNOVXSKESA-N 2 2 243.351 -0.321 20 0 BBADLP C[NH2+]C[C@H](C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000580567648 365773857 /nfs/dbraw/zinc/77/38/57/365773857.db2.gz GYFUBSVTPNKFEF-QWRGUYRKSA-N 2 2 243.351 -0.321 20 0 BBADLP C[NH2+]C[C@H](C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000580567648 365773852 /nfs/dbraw/zinc/77/38/52/365773852.db2.gz GYFUBSVTPNKFEF-QWRGUYRKSA-N 2 2 243.351 -0.321 20 0 BBADLP C[NH2+]C[C@H](C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000580567649 365773314 /nfs/dbraw/zinc/77/33/14/365773314.db2.gz GYFUBSVTPNKFEF-WDEREUQCSA-N 2 2 243.351 -0.321 20 0 BBADLP C[NH2+]C[C@H](C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000580567649 365773308 /nfs/dbraw/zinc/77/33/08/365773308.db2.gz GYFUBSVTPNKFEF-WDEREUQCSA-N 2 2 243.351 -0.321 20 0 BBADLP CO[C@@H](C[NH3+])C(=O)N(C)CCCn1cc[nH+]c1 ZINC000580712815 367147847 /nfs/dbraw/zinc/14/78/47/367147847.db2.gz IDNVSJAVNXWUOP-JTQLQIEISA-N 2 2 240.307 -0.295 20 0 BBADLP CO[C@H](C[NH3+])C(=O)N(C)CCCn1cc[nH+]c1 ZINC000580712816 367148177 /nfs/dbraw/zinc/14/81/77/367148177.db2.gz IDNVSJAVNXWUOP-SNVBAGLBSA-N 2 2 240.307 -0.295 20 0 BBADLP CC[C@H]([NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000580771219 367161849 /nfs/dbraw/zinc/16/18/49/367161849.db2.gz JXAIBRQSHRKYFB-JTQLQIEISA-N 2 2 229.324 -0.486 20 0 BBADLP COCC[NH2+]CC[NH2+]CC1CC[NH2+]CC1 ZINC000580834016 367182690 /nfs/dbraw/zinc/18/26/90/367182690.db2.gz IWUZQPWMCOCCIK-UHFFFAOYSA-N 3 2 215.341 -0.188 20 0 BBADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3ccno3)CCN2C1=O ZINC000580963414 367219106 /nfs/dbraw/zinc/21/91/06/367219106.db2.gz OFHPMVNYMBFPPQ-PSASIEDQSA-N 2 2 236.275 -0.582 20 0 BBADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3ccno3)CCN2C1=O ZINC000580963414 367219099 /nfs/dbraw/zinc/21/90/99/367219099.db2.gz OFHPMVNYMBFPPQ-PSASIEDQSA-N 2 2 236.275 -0.582 20 0 BBADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ccno3)CCN2C1=O ZINC000580963417 367219648 /nfs/dbraw/zinc/21/96/48/367219648.db2.gz OFHPMVNYMBFPPQ-SCZZXKLOSA-N 2 2 236.275 -0.582 20 0 BBADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3ccno3)CCN2C1=O ZINC000580963417 367219641 /nfs/dbraw/zinc/21/96/41/367219641.db2.gz OFHPMVNYMBFPPQ-SCZZXKLOSA-N 2 2 236.275 -0.582 20 0 BBADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3ccno3)CCN2C1=O ZINC000580963418 367221170 /nfs/dbraw/zinc/22/11/70/367221170.db2.gz OFHPMVNYMBFPPQ-WCBMZHEXSA-N 2 2 236.275 -0.582 20 0 BBADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3ccno3)CCN2C1=O ZINC000580963418 367221166 /nfs/dbraw/zinc/22/11/66/367221166.db2.gz OFHPMVNYMBFPPQ-WCBMZHEXSA-N 2 2 236.275 -0.582 20 0 BBADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3ccno3)CCN2C1=O ZINC000580963420 398195092 /nfs/dbraw/zinc/19/50/92/398195092.db2.gz OFHPMVNYMBFPPQ-WPRPVWTQSA-N 2 2 236.275 -0.582 20 0 BBADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3ccno3)CCN2C1=O ZINC000580963420 398195090 /nfs/dbraw/zinc/19/50/90/398195090.db2.gz OFHPMVNYMBFPPQ-WPRPVWTQSA-N 2 2 236.275 -0.582 20 0 BBADLP O=C(N[C@H]1CC[NH2+]C1)N1CCn2c[nH+]cc2C1 ZINC000581082423 367258626 /nfs/dbraw/zinc/25/86/26/367258626.db2.gz KRHBLCFZNBFUCZ-VIFPVBQESA-N 2 2 235.291 -0.230 20 0 BBADLP C[C@H](CC[NH3+])NC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000581251873 347346764 /nfs/dbraw/zinc/34/67/64/347346764.db2.gz BTMJTNZYLOYUHB-GHMZBOCLSA-N 2 2 242.367 -0.524 20 0 BBADLP C[C@H](CC[NH3+])NC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000581251874 347346647 /nfs/dbraw/zinc/34/66/47/347346647.db2.gz BTMJTNZYLOYUHB-MNOVXSKESA-N 2 2 242.367 -0.524 20 0 BBADLP C[C@@H](CC[NH3+])NC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000581251875 347346659 /nfs/dbraw/zinc/34/66/59/347346659.db2.gz BTMJTNZYLOYUHB-QWRGUYRKSA-N 2 2 242.367 -0.524 20 0 BBADLP C[C@H](C(=O)N[C@@H](C)CC[NH3+])[NH+]1CCN(C)CC1 ZINC000581251876 347346675 /nfs/dbraw/zinc/34/66/75/347346675.db2.gz BTMJTNZYLOYUHB-WDEREUQCSA-N 2 2 242.367 -0.524 20 0 BBADLP CCN(C)C(=O)CC[N@@H+](CC[NH3+])CCO ZINC000581311320 367339623 /nfs/dbraw/zinc/33/96/23/367339623.db2.gz ZTJKQUOWGAIFQU-UHFFFAOYSA-N 2 2 217.313 -0.892 20 0 BBADLP CCN(C)C(=O)CC[N@H+](CC[NH3+])CCO ZINC000581311320 367339620 /nfs/dbraw/zinc/33/96/20/367339620.db2.gz ZTJKQUOWGAIFQU-UHFFFAOYSA-N 2 2 217.313 -0.892 20 0 BBADLP COC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000581369994 367401695 /nfs/dbraw/zinc/40/16/95/367401695.db2.gz FBJBAOYEKIYVKY-NEPJUHHUSA-N 2 2 246.351 -0.570 20 0 BBADLP COC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000581369994 367401691 /nfs/dbraw/zinc/40/16/91/367401691.db2.gz FBJBAOYEKIYVKY-NEPJUHHUSA-N 2 2 246.351 -0.570 20 0 BBADLP COC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000581369995 367401940 /nfs/dbraw/zinc/40/19/40/367401940.db2.gz FBJBAOYEKIYVKY-RYUDHWBXSA-N 2 2 246.351 -0.570 20 0 BBADLP COC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000581369995 367401935 /nfs/dbraw/zinc/40/19/35/367401935.db2.gz FBJBAOYEKIYVKY-RYUDHWBXSA-N 2 2 246.351 -0.570 20 0 BBADLP Cc1nc(N)c(CNC(=O)[C@@H]2CC[N@H+](C)C2)c[nH+]1 ZINC000581372280 411986259 /nfs/dbraw/zinc/98/62/59/411986259.db2.gz ZMLWPCCCYRKIOM-SECBINFHSA-N 2 2 249.318 -0.065 20 0 BBADLP Cc1nc(N)c(CNC(=O)[C@@H]2CC[N@@H+](C)C2)c[nH+]1 ZINC000581372280 411986255 /nfs/dbraw/zinc/98/62/55/411986255.db2.gz ZMLWPCCCYRKIOM-SECBINFHSA-N 2 2 249.318 -0.065 20 0 BBADLP Cc1nc(N)c(CNC(=O)[C@H]2CC[N@H+](C)C2)c[nH+]1 ZINC000581372281 411986168 /nfs/dbraw/zinc/98/61/68/411986168.db2.gz ZMLWPCCCYRKIOM-VIFPVBQESA-N 2 2 249.318 -0.065 20 0 BBADLP Cc1nc(N)c(CNC(=O)[C@H]2CC[N@@H+](C)C2)c[nH+]1 ZINC000581372281 411986163 /nfs/dbraw/zinc/98/61/63/411986163.db2.gz ZMLWPCCCYRKIOM-VIFPVBQESA-N 2 2 249.318 -0.065 20 0 BBADLP O=C(N[C@H]1CC[NH2+]C1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000581381739 367413575 /nfs/dbraw/zinc/41/35/75/367413575.db2.gz ZGMRHCKZLTUSMU-UWVGGRQHSA-N 2 2 249.318 -0.141 20 0 BBADLP O=C(N[C@H]1CC[NH2+]C1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000581381740 367413692 /nfs/dbraw/zinc/41/36/92/367413692.db2.gz ZGMRHCKZLTUSMU-ZJUUUORDSA-N 2 2 249.318 -0.141 20 0 BBADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COC ZINC000581424500 367465704 /nfs/dbraw/zinc/46/57/04/367465704.db2.gz SIQNWNUVKBSMOC-NEPJUHHUSA-N 2 2 246.351 -0.306 20 0 BBADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COC ZINC000581424500 367465700 /nfs/dbraw/zinc/46/57/00/367465700.db2.gz SIQNWNUVKBSMOC-NEPJUHHUSA-N 2 2 246.351 -0.306 20 0 BBADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COC ZINC000581424501 367465577 /nfs/dbraw/zinc/46/55/77/367465577.db2.gz SIQNWNUVKBSMOC-RYUDHWBXSA-N 2 2 246.351 -0.306 20 0 BBADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COC ZINC000581424501 367465572 /nfs/dbraw/zinc/46/55/72/367465572.db2.gz SIQNWNUVKBSMOC-RYUDHWBXSA-N 2 2 246.351 -0.306 20 0 BBADLP COC[C@H](O)C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000581424746 367465216 /nfs/dbraw/zinc/46/52/16/367465216.db2.gz GNNVITKYFUYHCN-NWDGAFQWSA-N 2 2 246.351 -0.448 20 0 BBADLP COC[C@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000581424747 367465464 /nfs/dbraw/zinc/46/54/64/367465464.db2.gz GNNVITKYFUYHCN-VXGBXAGGSA-N 2 2 246.351 -0.448 20 0 BBADLP COCCCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000581428170 367467189 /nfs/dbraw/zinc/46/71/89/367467189.db2.gz LVNGZSWOVCCQHZ-LLVKDONJSA-N 2 2 243.351 -0.096 20 0 BBADLP COCCCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000581428171 367466903 /nfs/dbraw/zinc/46/69/03/367466903.db2.gz LVNGZSWOVCCQHZ-NSHDSACASA-N 2 2 243.351 -0.096 20 0 BBADLP O=C(NCCNc1cccc[nH+]1)[C@H]1CC[NH2+]1 ZINC000581486663 367517900 /nfs/dbraw/zinc/51/79/00/367517900.db2.gz WTKQWRXWAFHKGL-SECBINFHSA-N 2 2 220.276 -0.028 20 0 BBADLP CC(C)CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000581655908 367657493 /nfs/dbraw/zinc/65/74/93/367657493.db2.gz QTOAQPPYCIMWKG-JTQLQIEISA-N 2 2 228.340 -0.073 20 0 BBADLP CC(C)CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000581655908 367657490 /nfs/dbraw/zinc/65/74/90/367657490.db2.gz QTOAQPPYCIMWKG-JTQLQIEISA-N 2 2 228.340 -0.073 20 0 BBADLP CC(C)CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000581655909 367657260 /nfs/dbraw/zinc/65/72/60/367657260.db2.gz QTOAQPPYCIMWKG-SNVBAGLBSA-N 2 2 228.340 -0.073 20 0 BBADLP CC(C)CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000581655909 367657257 /nfs/dbraw/zinc/65/72/57/367657257.db2.gz QTOAQPPYCIMWKG-SNVBAGLBSA-N 2 2 228.340 -0.073 20 0 BBADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[NH2+]C1CC1 ZINC000581820388 367831379 /nfs/dbraw/zinc/83/13/79/367831379.db2.gz CDVYNTHKGIOLIC-JTQLQIEISA-N 2 2 241.335 -0.425 20 0 BBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[NH2+]C1CC1 ZINC000581820388 367831370 /nfs/dbraw/zinc/83/13/70/367831370.db2.gz CDVYNTHKGIOLIC-JTQLQIEISA-N 2 2 241.335 -0.425 20 0 BBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[NH2+]C1CC1 ZINC000581820389 367830925 /nfs/dbraw/zinc/83/09/25/367830925.db2.gz CDVYNTHKGIOLIC-SNVBAGLBSA-N 2 2 241.335 -0.425 20 0 BBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[NH2+]C1CC1 ZINC000581820389 367830920 /nfs/dbraw/zinc/83/09/20/367830920.db2.gz CDVYNTHKGIOLIC-SNVBAGLBSA-N 2 2 241.335 -0.425 20 0 BBADLP OC[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C[C@@H]1O ZINC000581860946 342838826 /nfs/dbraw/zinc/83/88/26/342838826.db2.gz YBFWXGLOHPCNQC-NEPJUHHUSA-N 2 2 239.319 -0.052 20 0 BBADLP OC[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C[C@H]1O ZINC000581860947 342838425 /nfs/dbraw/zinc/83/84/25/342838425.db2.gz YBFWXGLOHPCNQC-NWDGAFQWSA-N 2 2 239.319 -0.052 20 0 BBADLP OC[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C[C@H]1O ZINC000581860947 342838424 /nfs/dbraw/zinc/83/84/24/342838424.db2.gz YBFWXGLOHPCNQC-NWDGAFQWSA-N 2 2 239.319 -0.052 20 0 BBADLP OC[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C[C@@H]1O ZINC000581860948 342838487 /nfs/dbraw/zinc/83/84/87/342838487.db2.gz YBFWXGLOHPCNQC-RYUDHWBXSA-N 2 2 239.319 -0.052 20 0 BBADLP OC[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C[C@@H]1O ZINC000581860948 342838485 /nfs/dbraw/zinc/83/84/85/342838485.db2.gz YBFWXGLOHPCNQC-RYUDHWBXSA-N 2 2 239.319 -0.052 20 0 BBADLP OC[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C[C@H]1O ZINC000581860949 342838449 /nfs/dbraw/zinc/83/84/49/342838449.db2.gz YBFWXGLOHPCNQC-VXGBXAGGSA-N 2 2 239.319 -0.052 20 0 BBADLP OC[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C[C@H]1O ZINC000581860949 342838447 /nfs/dbraw/zinc/83/84/47/342838447.db2.gz YBFWXGLOHPCNQC-VXGBXAGGSA-N 2 2 239.319 -0.052 20 0 BBADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCNc1cnccn1 ZINC000581878619 411837566 /nfs/dbraw/zinc/83/75/66/411837566.db2.gz SSLMGUVPWOCHET-GHMZBOCLSA-N 2 2 235.335 0.476 20 0 BBADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCNc1cnccn1 ZINC000581878620 411838700 /nfs/dbraw/zinc/83/87/00/411838700.db2.gz SSLMGUVPWOCHET-MNOVXSKESA-N 2 2 235.335 0.476 20 0 BBADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCNc1cnccn1 ZINC000581878621 412259656 /nfs/dbraw/zinc/25/96/56/412259656.db2.gz SSLMGUVPWOCHET-QWRGUYRKSA-N 2 2 235.335 0.476 20 0 BBADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCNc1cnccn1 ZINC000581878622 412260768 /nfs/dbraw/zinc/26/07/68/412260768.db2.gz SSLMGUVPWOCHET-WDEREUQCSA-N 2 2 235.335 0.476 20 0 BBADLP C[C@@H]([NH3+])C1CC[NH+](Cc2nnnn2C)CC1 ZINC000581944212 367971211 /nfs/dbraw/zinc/97/12/11/367971211.db2.gz WOBHNNMAQGQTAM-MRVPVSSYSA-N 2 2 224.312 -0.231 20 0 BBADLP C[C@H]([NH3+])C1CC[NH+](Cc2nnnn2C)CC1 ZINC000581944213 367971492 /nfs/dbraw/zinc/97/14/92/367971492.db2.gz WOBHNNMAQGQTAM-QMMMGPOBSA-N 2 2 224.312 -0.231 20 0 BBADLP C[C@H](C[NH2+]C[C@H](C)O)C[NH+]1CCOCC1 ZINC000581998399 368103119 /nfs/dbraw/zinc/10/31/19/368103119.db2.gz IGXGIFOOQWZEBC-MNOVXSKESA-N 2 2 216.325 -0.075 20 0 BBADLP C[C@H](O)C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000581998400 368102954 /nfs/dbraw/zinc/10/29/54/368102954.db2.gz IGXGIFOOQWZEBC-QWRGUYRKSA-N 2 2 216.325 -0.075 20 0 BBADLP C[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000582013549 368153801 /nfs/dbraw/zinc/15/38/01/368153801.db2.gz PCYKJDZZNLIBHO-UWVGGRQHSA-N 2 2 229.324 -0.569 20 0 BBADLP C[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000582013549 368153798 /nfs/dbraw/zinc/15/37/98/368153798.db2.gz PCYKJDZZNLIBHO-UWVGGRQHSA-N 2 2 229.324 -0.569 20 0 BBADLP C[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000582013551 368153754 /nfs/dbraw/zinc/15/37/54/368153754.db2.gz PCYKJDZZNLIBHO-ZJUUUORDSA-N 2 2 229.324 -0.569 20 0 BBADLP C[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000582013551 368153747 /nfs/dbraw/zinc/15/37/47/368153747.db2.gz PCYKJDZZNLIBHO-ZJUUUORDSA-N 2 2 229.324 -0.569 20 0 BBADLP Cn1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cn1 ZINC000582132962 347000138 /nfs/dbraw/zinc/00/01/38/347000138.db2.gz DXOQLGPBEUEVEK-GHMZBOCLSA-N 2 2 249.318 -0.836 20 0 BBADLP Cn1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cn1 ZINC000582132963 347000449 /nfs/dbraw/zinc/00/04/49/347000449.db2.gz DXOQLGPBEUEVEK-MNOVXSKESA-N 2 2 249.318 -0.836 20 0 BBADLP Cn1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cn1 ZINC000582132964 347000344 /nfs/dbraw/zinc/00/03/44/347000344.db2.gz DXOQLGPBEUEVEK-QWRGUYRKSA-N 2 2 249.318 -0.836 20 0 BBADLP Cn1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cn1 ZINC000582132965 347000035 /nfs/dbraw/zinc/00/00/35/347000035.db2.gz DXOQLGPBEUEVEK-WDEREUQCSA-N 2 2 249.318 -0.836 20 0 BBADLP Cn1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cn1 ZINC000582132965 347000032 /nfs/dbraw/zinc/00/00/32/347000032.db2.gz DXOQLGPBEUEVEK-WDEREUQCSA-N 2 2 249.318 -0.836 20 0 BBADLP C[N@H+]1CCN(C(=O)C[C@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000582179909 355618552 /nfs/dbraw/zinc/61/85/52/355618552.db2.gz HDPGPRHRBGJSII-GHMZBOCLSA-N 3 2 240.351 -0.770 20 0 BBADLP C[N@H+]1CCN(C(=O)C[C@H]2CCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000582179910 355618879 /nfs/dbraw/zinc/61/88/79/355618879.db2.gz HDPGPRHRBGJSII-MNOVXSKESA-N 3 2 240.351 -0.770 20 0 BBADLP COC(=O)CC1(C[N@@H+](CC[NH3+])CCO)CC1 ZINC000582181657 355646159 /nfs/dbraw/zinc/64/61/59/355646159.db2.gz IQSCNVICODSORP-UHFFFAOYSA-N 2 2 230.308 -0.417 20 0 BBADLP COC(=O)CC1(C[N@H+](CC[NH3+])CCO)CC1 ZINC000582181657 355646157 /nfs/dbraw/zinc/64/61/57/355646157.db2.gz IQSCNVICODSORP-UHFFFAOYSA-N 2 2 230.308 -0.417 20 0 BBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000582183611 355658939 /nfs/dbraw/zinc/65/89/39/355658939.db2.gz TXKOYXDFAGNNFG-GARJFASQSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000582183612 355658993 /nfs/dbraw/zinc/65/89/93/355658993.db2.gz TXKOYXDFAGNNFG-MXWKQRLJSA-N 2 2 241.335 -0.439 20 0 BBADLP C[NH2+][C@@H](C)C(=O)N1CC[NH+](CCOC)CC1 ZINC000582191194 355700250 /nfs/dbraw/zinc/70/02/50/355700250.db2.gz PUJJTVZWPLTKHZ-JTQLQIEISA-N 2 2 229.324 -0.615 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CC(=O)NC1CC1 ZINC000582246010 356675155 /nfs/dbraw/zinc/67/51/55/356675155.db2.gz IBAIFYNTEVNCNP-LLVKDONJSA-N 2 2 229.324 -0.833 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)CC(=O)NC1CC1 ZINC000582246010 356675151 /nfs/dbraw/zinc/67/51/51/356675151.db2.gz IBAIFYNTEVNCNP-LLVKDONJSA-N 2 2 229.324 -0.833 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)CC(=O)NC1CC1 ZINC000582246011 356675231 /nfs/dbraw/zinc/67/52/31/356675231.db2.gz IBAIFYNTEVNCNP-NSHDSACASA-N 2 2 229.324 -0.833 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+](C)CC(=O)NC1CC1 ZINC000582246011 356675228 /nfs/dbraw/zinc/67/52/28/356675228.db2.gz IBAIFYNTEVNCNP-NSHDSACASA-N 2 2 229.324 -0.833 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)C1(CO)CC1 ZINC000582368368 357109746 /nfs/dbraw/zinc/10/97/46/357109746.db2.gz GQCJEYXBHQVYMB-JTQLQIEISA-N 2 2 216.325 -0.244 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+](C)C1(CO)CC1 ZINC000582368368 357109743 /nfs/dbraw/zinc/10/97/43/357109743.db2.gz GQCJEYXBHQVYMB-JTQLQIEISA-N 2 2 216.325 -0.244 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)C1(CO)CC1 ZINC000582368368 357109737 /nfs/dbraw/zinc/10/97/37/357109737.db2.gz GQCJEYXBHQVYMB-JTQLQIEISA-N 2 2 216.325 -0.244 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+](C)C1(CO)CC1 ZINC000582368368 357109733 /nfs/dbraw/zinc/10/97/33/357109733.db2.gz GQCJEYXBHQVYMB-JTQLQIEISA-N 2 2 216.325 -0.244 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C1(CO)CC1 ZINC000582368369 357110202 /nfs/dbraw/zinc/11/02/02/357110202.db2.gz GQCJEYXBHQVYMB-SNVBAGLBSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)C1(CO)CC1 ZINC000582368369 357110200 /nfs/dbraw/zinc/11/02/00/357110200.db2.gz GQCJEYXBHQVYMB-SNVBAGLBSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C1(CO)CC1 ZINC000582368369 357110198 /nfs/dbraw/zinc/11/01/98/357110198.db2.gz GQCJEYXBHQVYMB-SNVBAGLBSA-N 2 2 216.325 -0.244 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)C1(CO)CC1 ZINC000582368369 357110196 /nfs/dbraw/zinc/11/01/96/357110196.db2.gz GQCJEYXBHQVYMB-SNVBAGLBSA-N 2 2 216.325 -0.244 20 0 BBADLP COC[C@@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000582481763 357316891 /nfs/dbraw/zinc/31/68/91/357316891.db2.gz GNNVITKYFUYHCN-NEPJUHHUSA-N 2 2 246.351 -0.448 20 0 BBADLP COC[C@@H](O)C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000582481764 357316909 /nfs/dbraw/zinc/31/69/09/357316909.db2.gz GNNVITKYFUYHCN-RYUDHWBXSA-N 2 2 246.351 -0.448 20 0 BBADLP C[N@H+]1CCN(C(=O)C2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000582485864 357317408 /nfs/dbraw/zinc/31/74/08/357317408.db2.gz RWKYGUJLLYEFOB-LLVKDONJSA-N 3 2 240.351 -0.913 20 0 BBADLP C[N@@H+]1CCN(C(=O)C2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000582485864 357317403 /nfs/dbraw/zinc/31/74/03/357317403.db2.gz RWKYGUJLLYEFOB-LLVKDONJSA-N 3 2 240.351 -0.913 20 0 BBADLP C[N@H+]1CCN(C(=O)C2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000582485865 357317574 /nfs/dbraw/zinc/31/75/74/357317574.db2.gz RWKYGUJLLYEFOB-NSHDSACASA-N 3 2 240.351 -0.913 20 0 BBADLP C[N@@H+]1CCN(C(=O)C2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000582485865 357317573 /nfs/dbraw/zinc/31/75/73/357317573.db2.gz RWKYGUJLLYEFOB-NSHDSACASA-N 3 2 240.351 -0.913 20 0 BBADLP NC(=O)CC[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000582486616 357318810 /nfs/dbraw/zinc/31/88/10/357318810.db2.gz PPEZNBGUWDNLDO-JTQLQIEISA-N 2 2 229.324 -0.702 20 0 BBADLP NC(=O)CC[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000582486616 357318805 /nfs/dbraw/zinc/31/88/05/357318805.db2.gz PPEZNBGUWDNLDO-JTQLQIEISA-N 2 2 229.324 -0.702 20 0 BBADLP NC(=O)CC[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000582486619 357318843 /nfs/dbraw/zinc/31/88/43/357318843.db2.gz PPEZNBGUWDNLDO-SNVBAGLBSA-N 2 2 229.324 -0.702 20 0 BBADLP NC(=O)CC[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000582486619 357318841 /nfs/dbraw/zinc/31/88/41/357318841.db2.gz PPEZNBGUWDNLDO-SNVBAGLBSA-N 2 2 229.324 -0.702 20 0 BBADLP Cn1cc(N2CC[NH+](CCC[NH3+])CC2)cn1 ZINC000582488436 357319219 /nfs/dbraw/zinc/31/92/19/357319219.db2.gz FOTZKWREYOVIFJ-UHFFFAOYSA-N 2 2 223.324 -0.109 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@]1(CO)CCOC1 ZINC000582554050 487917212 /nfs/dbraw/zinc/91/72/12/487917212.db2.gz ADPVOOMHNPVYGK-NEPJUHHUSA-N 2 2 246.351 -0.618 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@]1(CO)CCOC1 ZINC000582554050 487917211 /nfs/dbraw/zinc/91/72/11/487917211.db2.gz ADPVOOMHNPVYGK-NEPJUHHUSA-N 2 2 246.351 -0.618 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@]1(CO)CCOC1 ZINC000582554050 487917206 /nfs/dbraw/zinc/91/72/06/487917206.db2.gz ADPVOOMHNPVYGK-NEPJUHHUSA-N 2 2 246.351 -0.618 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@]1(CO)CCOC1 ZINC000582554050 487917204 /nfs/dbraw/zinc/91/72/04/487917204.db2.gz ADPVOOMHNPVYGK-NEPJUHHUSA-N 2 2 246.351 -0.618 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000582554051 487916729 /nfs/dbraw/zinc/91/67/29/487916729.db2.gz ADPVOOMHNPVYGK-NWDGAFQWSA-N 2 2 246.351 -0.618 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000582554051 487916725 /nfs/dbraw/zinc/91/67/25/487916725.db2.gz ADPVOOMHNPVYGK-NWDGAFQWSA-N 2 2 246.351 -0.618 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@]1(CO)CCOC1 ZINC000582554051 487916717 /nfs/dbraw/zinc/91/67/17/487916717.db2.gz ADPVOOMHNPVYGK-NWDGAFQWSA-N 2 2 246.351 -0.618 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@]1(CO)CCOC1 ZINC000582554051 487916711 /nfs/dbraw/zinc/91/67/11/487916711.db2.gz ADPVOOMHNPVYGK-NWDGAFQWSA-N 2 2 246.351 -0.618 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@]1(CO)CCOC1 ZINC000582554052 487916413 /nfs/dbraw/zinc/91/64/13/487916413.db2.gz ADPVOOMHNPVYGK-RYUDHWBXSA-N 2 2 246.351 -0.618 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@]1(CO)CCOC1 ZINC000582554052 487916410 /nfs/dbraw/zinc/91/64/10/487916410.db2.gz ADPVOOMHNPVYGK-RYUDHWBXSA-N 2 2 246.351 -0.618 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@]1(CO)CCOC1 ZINC000582554052 487916405 /nfs/dbraw/zinc/91/64/05/487916405.db2.gz ADPVOOMHNPVYGK-RYUDHWBXSA-N 2 2 246.351 -0.618 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@]1(CO)CCOC1 ZINC000582554052 487916401 /nfs/dbraw/zinc/91/64/01/487916401.db2.gz ADPVOOMHNPVYGK-RYUDHWBXSA-N 2 2 246.351 -0.618 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000582554053 487917315 /nfs/dbraw/zinc/91/73/15/487917315.db2.gz ADPVOOMHNPVYGK-VXGBXAGGSA-N 2 2 246.351 -0.618 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000582554053 487917313 /nfs/dbraw/zinc/91/73/13/487917313.db2.gz ADPVOOMHNPVYGK-VXGBXAGGSA-N 2 2 246.351 -0.618 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@]1(CO)CCOC1 ZINC000582554053 487917307 /nfs/dbraw/zinc/91/73/07/487917307.db2.gz ADPVOOMHNPVYGK-VXGBXAGGSA-N 2 2 246.351 -0.618 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@]1(CO)CCOC1 ZINC000582554053 487917302 /nfs/dbraw/zinc/91/73/02/487917302.db2.gz ADPVOOMHNPVYGK-VXGBXAGGSA-N 2 2 246.351 -0.618 20 0 BBADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)NC1CC1 ZINC000582582936 387852332 /nfs/dbraw/zinc/85/23/32/387852332.db2.gz OQMFMRPGUXSUQK-UHFFFAOYSA-N 2 2 249.318 -0.190 20 0 BBADLP CC(C)([NH3+])C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000582606878 357349502 /nfs/dbraw/zinc/34/95/02/357349502.db2.gz YONMFHJFQDZHEC-IUCAKERBSA-N 2 2 227.308 -0.687 20 0 BBADLP CC(C)([NH3+])C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000582606878 357349499 /nfs/dbraw/zinc/34/94/99/357349499.db2.gz YONMFHJFQDZHEC-IUCAKERBSA-N 2 2 227.308 -0.687 20 0 BBADLP Cn1nncc1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000582674919 357361094 /nfs/dbraw/zinc/36/10/94/357361094.db2.gz ZHZUYPDRUQTVMW-UHFFFAOYSA-N 2 2 247.306 -0.140 20 0 BBADLP COCC[NH2+]C1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC000582730611 357374176 /nfs/dbraw/zinc/37/41/76/357374176.db2.gz QAOVFFVGKJOYOC-SECBINFHSA-N 2 2 229.324 -0.439 20 0 BBADLP COCC[NH2+]C1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC000582730614 357374312 /nfs/dbraw/zinc/37/43/12/357374312.db2.gz QAOVFFVGKJOYOC-VIFPVBQESA-N 2 2 229.324 -0.439 20 0 BBADLP [NH3+][C@H]1C[C@@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000582965952 357446288 /nfs/dbraw/zinc/44/62/88/357446288.db2.gz ALLWFLAETAYFDX-AOOOYVTPSA-N 2 2 227.308 -0.828 20 0 BBADLP COC(=O)C[C@H]([NH3+])C(=O)Nc1cc[nH+]cc1C ZINC000583023166 357452378 /nfs/dbraw/zinc/45/23/78/357452378.db2.gz BNEFDRGYIQXMII-QMMMGPOBSA-N 2 2 237.259 -0.359 20 0 BBADLP C[NH2+]C[C@H](O)C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000583025155 387040795 /nfs/dbraw/zinc/04/07/95/387040795.db2.gz USAGRWANTKPZRM-BQBZGAKWSA-N 2 2 230.230 -0.530 20 0 BBADLP C[NH2+]C[C@H](O)C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000583025156 357453705 /nfs/dbraw/zinc/45/37/05/357453705.db2.gz USAGRWANTKPZRM-NKWVEPMBSA-N 2 2 230.230 -0.530 20 0 BBADLP C[NH2+]C[C@@H](O)C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000583025157 357454067 /nfs/dbraw/zinc/45/40/67/357454067.db2.gz USAGRWANTKPZRM-RNFRBKRXSA-N 2 2 230.230 -0.530 20 0 BBADLP C[NH2+]C[C@@H](O)C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000583025158 357453684 /nfs/dbraw/zinc/45/36/84/357453684.db2.gz USAGRWANTKPZRM-RQJHMYQMSA-N 2 2 230.230 -0.530 20 0 BBADLP C[C@@H]1C[N@@H+](CCNC(=O)CC[NH3+])CCO1 ZINC000583026967 357463508 /nfs/dbraw/zinc/46/35/08/357463508.db2.gz TXBOREBGFXBBEZ-SECBINFHSA-N 2 2 215.297 -0.828 20 0 BBADLP C[C@@H]1C[N@H+](CCNC(=O)CC[NH3+])CCO1 ZINC000583026967 357463501 /nfs/dbraw/zinc/46/35/01/357463501.db2.gz TXBOREBGFXBBEZ-SECBINFHSA-N 2 2 215.297 -0.828 20 0 BBADLP C[C@H]1C[N@@H+](CCNC(=O)CC[NH3+])CCO1 ZINC000583026968 357463841 /nfs/dbraw/zinc/46/38/41/357463841.db2.gz TXBOREBGFXBBEZ-VIFPVBQESA-N 2 2 215.297 -0.828 20 0 BBADLP C[C@H]1C[N@H+](CCNC(=O)CC[NH3+])CCO1 ZINC000583026968 357463837 /nfs/dbraw/zinc/46/38/37/357463837.db2.gz TXBOREBGFXBBEZ-VIFPVBQESA-N 2 2 215.297 -0.828 20 0 BBADLP NC(=O)NC(=O)CC[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000583078937 357473757 /nfs/dbraw/zinc/47/37/57/357473757.db2.gz APNANLUNNYXVGK-MRVPVSSYSA-N 2 2 240.307 -0.602 20 0 BBADLP NC(=O)NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000583078937 357473756 /nfs/dbraw/zinc/47/37/56/357473756.db2.gz APNANLUNNYXVGK-MRVPVSSYSA-N 2 2 240.307 -0.602 20 0 BBADLP NC(=O)NC(=O)CC[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000583078938 357473752 /nfs/dbraw/zinc/47/37/52/357473752.db2.gz APNANLUNNYXVGK-QMMMGPOBSA-N 2 2 240.307 -0.602 20 0 BBADLP NC(=O)NC(=O)CC[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000583078938 357473751 /nfs/dbraw/zinc/47/37/51/357473751.db2.gz APNANLUNNYXVGK-QMMMGPOBSA-N 2 2 240.307 -0.602 20 0 BBADLP CC(=O)N1CC([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000583153756 357496219 /nfs/dbraw/zinc/49/62/19/357496219.db2.gz RUWOGAODHPTYKT-GZMMTYOYSA-N 2 2 211.309 -0.243 20 0 BBADLP CC(=O)N1CC([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000583153759 357496732 /nfs/dbraw/zinc/49/67/32/357496732.db2.gz RUWOGAODHPTYKT-KCJUWKMLSA-N 2 2 211.309 -0.243 20 0 BBADLP CC(=O)N1CC([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000583153760 357496103 /nfs/dbraw/zinc/49/61/03/357496103.db2.gz RUWOGAODHPTYKT-KWQFWETISA-N 2 2 211.309 -0.243 20 0 BBADLP CC(=O)N1CC([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000583153761 357496589 /nfs/dbraw/zinc/49/65/89/357496589.db2.gz RUWOGAODHPTYKT-LDYMZIIASA-N 2 2 211.309 -0.243 20 0 BBADLP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)c2nnnn2C)C1 ZINC000583322366 357904109 /nfs/dbraw/zinc/90/41/09/357904109.db2.gz FUTCOXWBTHBDGW-CIUDSAMLSA-N 2 2 224.312 -0.060 20 0 BBADLP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)c2nnnn2C)C1 ZINC000583322366 357904104 /nfs/dbraw/zinc/90/41/04/357904104.db2.gz FUTCOXWBTHBDGW-CIUDSAMLSA-N 2 2 224.312 -0.060 20 0 BBADLP C[C@H](c1nnnn1C)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000583322367 357904228 /nfs/dbraw/zinc/90/42/28/357904228.db2.gz FUTCOXWBTHBDGW-DJLDLDEBSA-N 2 2 224.312 -0.060 20 0 BBADLP C[C@H](c1nnnn1C)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000583322367 357904226 /nfs/dbraw/zinc/90/42/26/357904226.db2.gz FUTCOXWBTHBDGW-DJLDLDEBSA-N 2 2 224.312 -0.060 20 0 BBADLP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2nnnn2C)C1 ZINC000583322368 357904309 /nfs/dbraw/zinc/90/43/09/357904309.db2.gz FUTCOXWBTHBDGW-XHNCKOQMSA-N 2 2 224.312 -0.060 20 0 BBADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2nnnn2C)C1 ZINC000583322368 357904308 /nfs/dbraw/zinc/90/43/08/357904308.db2.gz FUTCOXWBTHBDGW-XHNCKOQMSA-N 2 2 224.312 -0.060 20 0 BBADLP C[C@H](c1nnnn1C)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000583322369 357903854 /nfs/dbraw/zinc/90/38/54/357903854.db2.gz FUTCOXWBTHBDGW-YIZRAAEISA-N 2 2 224.312 -0.060 20 0 BBADLP C[C@H](c1nnnn1C)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000583322369 357903849 /nfs/dbraw/zinc/90/38/49/357903849.db2.gz FUTCOXWBTHBDGW-YIZRAAEISA-N 2 2 224.312 -0.060 20 0 BBADLP Cc1nc(N2CCN(C(=O)C[NH3+])CC2)cc[nH+]1 ZINC000583382294 344861022 /nfs/dbraw/zinc/86/10/22/344861022.db2.gz TYSRMRCGVCRCHS-UHFFFAOYSA-N 2 2 235.291 -0.608 20 0 BBADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000583451348 344999282 /nfs/dbraw/zinc/99/92/82/344999282.db2.gz SCHCVKSSAYURNE-SRVKXCTJSA-N 3 2 227.352 -0.088 20 0 BBADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000583451348 344999281 /nfs/dbraw/zinc/99/92/81/344999281.db2.gz SCHCVKSSAYURNE-SRVKXCTJSA-N 3 2 227.352 -0.088 20 0 BBADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000583451349 344999263 /nfs/dbraw/zinc/99/92/63/344999263.db2.gz SCHCVKSSAYURNE-TUAOUCFPSA-N 3 2 227.352 -0.088 20 0 BBADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000583451349 344999262 /nfs/dbraw/zinc/99/92/62/344999262.db2.gz SCHCVKSSAYURNE-TUAOUCFPSA-N 3 2 227.352 -0.088 20 0 BBADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000583451350 344999155 /nfs/dbraw/zinc/99/91/55/344999155.db2.gz SCHCVKSSAYURNE-UTUOFQBUSA-N 3 2 227.352 -0.088 20 0 BBADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000583451350 344999151 /nfs/dbraw/zinc/99/91/51/344999151.db2.gz SCHCVKSSAYURNE-UTUOFQBUSA-N 3 2 227.352 -0.088 20 0 BBADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000583451351 344999111 /nfs/dbraw/zinc/99/91/11/344999111.db2.gz SCHCVKSSAYURNE-WOPDTQHZSA-N 3 2 227.352 -0.088 20 0 BBADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000583451351 344999108 /nfs/dbraw/zinc/99/91/08/344999108.db2.gz SCHCVKSSAYURNE-WOPDTQHZSA-N 3 2 227.352 -0.088 20 0 BBADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COC ZINC000583495159 353141790 /nfs/dbraw/zinc/14/17/90/353141790.db2.gz SIQNWNUVKBSMOC-NWDGAFQWSA-N 2 2 246.351 -0.306 20 0 BBADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COC ZINC000583495159 353141787 /nfs/dbraw/zinc/14/17/87/353141787.db2.gz SIQNWNUVKBSMOC-NWDGAFQWSA-N 2 2 246.351 -0.306 20 0 BBADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COC ZINC000583495160 353142114 /nfs/dbraw/zinc/14/21/14/353142114.db2.gz SIQNWNUVKBSMOC-VXGBXAGGSA-N 2 2 246.351 -0.306 20 0 BBADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COC ZINC000583495160 353142110 /nfs/dbraw/zinc/14/21/10/353142110.db2.gz SIQNWNUVKBSMOC-VXGBXAGGSA-N 2 2 246.351 -0.306 20 0 BBADLP C[C@@H]([NH3+])CN1CCN(Cc2[nH+]ccn2C)CC1 ZINC000583500593 355333543 /nfs/dbraw/zinc/33/35/43/355333543.db2.gz KVKJFDXIUJLUHG-LLVKDONJSA-N 2 2 237.351 -0.115 20 0 BBADLP C[C@H]([NH3+])CN1CCN(Cc2[nH+]ccn2C)CC1 ZINC000583500594 355333515 /nfs/dbraw/zinc/33/35/15/355333515.db2.gz KVKJFDXIUJLUHG-NSHDSACASA-N 2 2 237.351 -0.115 20 0 BBADLP O=C1NCCC[C@@H]1[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000583507889 355345343 /nfs/dbraw/zinc/34/53/43/355345343.db2.gz RWVNCVIIRSKEQK-JTQLQIEISA-N 2 2 249.318 -0.190 20 0 BBADLP O=C1NCCC[C@H]1[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000583507890 355345016 /nfs/dbraw/zinc/34/50/16/355345016.db2.gz RWVNCVIIRSKEQK-SNVBAGLBSA-N 2 2 249.318 -0.190 20 0 BBADLP CC[C@H](O)C[NH2+]CC[N@@H+](CC)CCO ZINC000583564840 355646745 /nfs/dbraw/zinc/64/67/45/355646745.db2.gz HRMYFLDFCVCSQB-JTQLQIEISA-N 2 2 204.314 -0.339 20 0 BBADLP CC[C@H](O)C[NH2+]CC[N@H+](CC)CCO ZINC000583564840 355646742 /nfs/dbraw/zinc/64/67/42/355646742.db2.gz HRMYFLDFCVCSQB-JTQLQIEISA-N 2 2 204.314 -0.339 20 0 BBADLP C[C@H](c1nnnn1C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000583813015 357959952 /nfs/dbraw/zinc/95/99/52/357959952.db2.gz JVBIEGZXQFSYMK-BDAKNGLRSA-N 2 2 224.312 -0.058 20 0 BBADLP C[C@H](c1nnnn1C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000583813015 357959949 /nfs/dbraw/zinc/95/99/49/357959949.db2.gz JVBIEGZXQFSYMK-BDAKNGLRSA-N 2 2 224.312 -0.058 20 0 BBADLP C[C@@H](c1nnnn1C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000583813016 357959713 /nfs/dbraw/zinc/95/97/13/357959713.db2.gz JVBIEGZXQFSYMK-DTWKUNHWSA-N 2 2 224.312 -0.058 20 0 BBADLP C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000583813016 357959712 /nfs/dbraw/zinc/95/97/12/357959712.db2.gz JVBIEGZXQFSYMK-DTWKUNHWSA-N 2 2 224.312 -0.058 20 0 BBADLP C[C@@H](c1nnnn1C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000583813017 357959883 /nfs/dbraw/zinc/95/98/83/357959883.db2.gz JVBIEGZXQFSYMK-IUCAKERBSA-N 2 2 224.312 -0.058 20 0 BBADLP C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000583813017 357959880 /nfs/dbraw/zinc/95/98/80/357959880.db2.gz JVBIEGZXQFSYMK-IUCAKERBSA-N 2 2 224.312 -0.058 20 0 BBADLP C[C@H](c1nnnn1C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000583813018 357959727 /nfs/dbraw/zinc/95/97/27/357959727.db2.gz JVBIEGZXQFSYMK-RKDXNWHRSA-N 2 2 224.312 -0.058 20 0 BBADLP C[C@H](c1nnnn1C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000583813018 357959726 /nfs/dbraw/zinc/95/97/26/357959726.db2.gz JVBIEGZXQFSYMK-RKDXNWHRSA-N 2 2 224.312 -0.058 20 0 BBADLP [NH3+][C@@H]1C[C@@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000584050858 343306987 /nfs/dbraw/zinc/30/69/87/343306987.db2.gz SDZUANPWTSYFBQ-DTWKUNHWSA-N 2 2 220.276 -0.043 20 0 BBADLP C[C@H]1C[N@@H+](CCNC(=O)C2(C)C[NH2+]C2)CCO1 ZINC000584055705 343307841 /nfs/dbraw/zinc/30/78/41/343307841.db2.gz OJFRTZGXJMENEB-JTQLQIEISA-N 2 2 241.335 -0.567 20 0 BBADLP C[C@H]1C[N@H+](CCNC(=O)C2(C)C[NH2+]C2)CCO1 ZINC000584055705 343307839 /nfs/dbraw/zinc/30/78/39/343307839.db2.gz OJFRTZGXJMENEB-JTQLQIEISA-N 2 2 241.335 -0.567 20 0 BBADLP C[C@@H]1C[N@@H+](CCNC(=O)C2(C)C[NH2+]C2)CCO1 ZINC000584055706 343308020 /nfs/dbraw/zinc/30/80/20/343308020.db2.gz OJFRTZGXJMENEB-SNVBAGLBSA-N 2 2 241.335 -0.567 20 0 BBADLP C[C@@H]1C[N@H+](CCNC(=O)C2(C)C[NH2+]C2)CCO1 ZINC000584055706 343308018 /nfs/dbraw/zinc/30/80/18/343308018.db2.gz OJFRTZGXJMENEB-SNVBAGLBSA-N 2 2 241.335 -0.567 20 0 BBADLP CN(Cc1[nH+]ccn1C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000584125295 343763821 /nfs/dbraw/zinc/76/38/21/343763821.db2.gz XXZAJYVZEKXUHM-VIFPVBQESA-N 2 2 237.307 -0.077 20 0 BBADLP C[C@H](C(N)=O)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000584268578 344373013 /nfs/dbraw/zinc/37/30/13/344373013.db2.gz YDJNAEYFMQTVDQ-MRVPVSSYSA-N 2 2 223.280 -0.595 20 0 BBADLP C[C@@H](C(N)=O)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000584268579 344373023 /nfs/dbraw/zinc/37/30/23/344373023.db2.gz YDJNAEYFMQTVDQ-QMMMGPOBSA-N 2 2 223.280 -0.595 20 0 BBADLP CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)[C@H](C)CO ZINC000584299467 344437755 /nfs/dbraw/zinc/43/77/55/344437755.db2.gz LMOMPCBQCWIEDJ-NEPJUHHUSA-N 2 2 248.367 -0.372 20 0 BBADLP CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)[C@H](C)CO ZINC000584299467 344437753 /nfs/dbraw/zinc/43/77/53/344437753.db2.gz LMOMPCBQCWIEDJ-NEPJUHHUSA-N 2 2 248.367 -0.372 20 0 BBADLP CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)[C@H](C)CO ZINC000584299467 344437752 /nfs/dbraw/zinc/43/77/52/344437752.db2.gz LMOMPCBQCWIEDJ-NEPJUHHUSA-N 2 2 248.367 -0.372 20 0 BBADLP CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)[C@H](C)CO ZINC000584299467 344437749 /nfs/dbraw/zinc/43/77/49/344437749.db2.gz LMOMPCBQCWIEDJ-NEPJUHHUSA-N 2 2 248.367 -0.372 20 0 BBADLP CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)[C@H](C)CO ZINC000584299468 344437984 /nfs/dbraw/zinc/43/79/84/344437984.db2.gz LMOMPCBQCWIEDJ-VXGBXAGGSA-N 2 2 248.367 -0.372 20 0 BBADLP CC[NH+](C[C@H](O)C[N@H+](C)CCOC)[C@H](C)CO ZINC000584299468 344437980 /nfs/dbraw/zinc/43/79/80/344437980.db2.gz LMOMPCBQCWIEDJ-VXGBXAGGSA-N 2 2 248.367 -0.372 20 0 BBADLP CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)[C@H](C)CO ZINC000584299468 344437977 /nfs/dbraw/zinc/43/79/77/344437977.db2.gz LMOMPCBQCWIEDJ-VXGBXAGGSA-N 2 2 248.367 -0.372 20 0 BBADLP CC[N@H+](C[C@H](O)C[NH+](C)CCOC)[C@H](C)CO ZINC000584299468 344437974 /nfs/dbraw/zinc/43/79/74/344437974.db2.gz LMOMPCBQCWIEDJ-VXGBXAGGSA-N 2 2 248.367 -0.372 20 0 BBADLP C([NH2+]C[C@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000584351047 356064947 /nfs/dbraw/zinc/06/49/47/356064947.db2.gz NWPGNXLRGCICOM-LLVKDONJSA-N 3 2 213.325 -0.436 20 0 BBADLP C([NH2+]C[C@@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000584351048 356065463 /nfs/dbraw/zinc/06/54/63/356065463.db2.gz NWPGNXLRGCICOM-NSHDSACASA-N 3 2 213.325 -0.436 20 0 BBADLP C[NH+](C)[C@H]1CN(Cc2cc[nH+]c(N)c2)C[C@@H]1O ZINC000584418443 411851878 /nfs/dbraw/zinc/85/18/78/411851878.db2.gz BBEVIDLDIDZSBN-QWRGUYRKSA-N 2 2 236.319 -0.230 20 0 BBADLP O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CC[NH2+]CC1 ZINC000584718216 358160553 /nfs/dbraw/zinc/16/05/53/358160553.db2.gz MZVNYQARNSJGKV-SECBINFHSA-N 2 2 249.318 -0.468 20 0 BBADLP O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CC[NH2+]CC1 ZINC000584718220 358160494 /nfs/dbraw/zinc/16/04/94/358160494.db2.gz MZVNYQARNSJGKV-VIFPVBQESA-N 2 2 249.318 -0.468 20 0 BBADLP CC[C@H](C(N)=O)[NH+]1CCC([NH2+]CCOC)CC1 ZINC000584726139 358167302 /nfs/dbraw/zinc/16/73/02/358167302.db2.gz WVMSYCYVEZQPDC-LLVKDONJSA-N 2 2 243.351 -0.049 20 0 BBADLP CC[C@@H](C(N)=O)[NH+]1CCC([NH2+]CCOC)CC1 ZINC000584726140 358167151 /nfs/dbraw/zinc/16/71/51/358167151.db2.gz WVMSYCYVEZQPDC-NSHDSACASA-N 2 2 243.351 -0.049 20 0 BBADLP C[N@H+]1CCN(C(=O)Cc2ccon2)[C@@H](C[NH3+])C1 ZINC000584782991 358177125 /nfs/dbraw/zinc/17/71/25/358177125.db2.gz HJPGLWBRNDBMKC-JTQLQIEISA-N 2 2 238.291 -0.682 20 0 BBADLP C[N@H+]1CCN(C(=O)Cc2ccon2)[C@H](C[NH3+])C1 ZINC000584782992 358177063 /nfs/dbraw/zinc/17/70/63/358177063.db2.gz HJPGLWBRNDBMKC-SNVBAGLBSA-N 2 2 238.291 -0.682 20 0 BBADLP C[N@H+]1CC[C@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000591432419 347655902 /nfs/dbraw/zinc/65/59/02/347655902.db2.gz QZPPSCZGHOUHRP-JTQLQIEISA-N 2 2 222.292 -0.049 20 0 BBADLP C[N@@H+]1CC[C@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000591432419 347655899 /nfs/dbraw/zinc/65/58/99/347655899.db2.gz QZPPSCZGHOUHRP-JTQLQIEISA-N 2 2 222.292 -0.049 20 0 BBADLP C[N@H+]1CC[C@@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000591432426 347655856 /nfs/dbraw/zinc/65/58/56/347655856.db2.gz QZPPSCZGHOUHRP-SNVBAGLBSA-N 2 2 222.292 -0.049 20 0 BBADLP C[N@@H+]1CC[C@@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000591432426 347655855 /nfs/dbraw/zinc/65/58/55/347655855.db2.gz QZPPSCZGHOUHRP-SNVBAGLBSA-N 2 2 222.292 -0.049 20 0 BBADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000591458050 347664832 /nfs/dbraw/zinc/66/48/32/347664832.db2.gz QRVYUZDFEGUXOZ-SECBINFHSA-N 2 2 222.292 -0.012 20 0 BBADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000591458050 347664829 /nfs/dbraw/zinc/66/48/29/347664829.db2.gz QRVYUZDFEGUXOZ-SECBINFHSA-N 2 2 222.292 -0.012 20 0 BBADLP Cn1cc[nH+]c1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000591458051 347665079 /nfs/dbraw/zinc/66/50/79/347665079.db2.gz QRVYUZDFEGUXOZ-VIFPVBQESA-N 2 2 222.292 -0.012 20 0 BBADLP Cn1cc[nH+]c1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000591458051 347665078 /nfs/dbraw/zinc/66/50/78/347665078.db2.gz QRVYUZDFEGUXOZ-VIFPVBQESA-N 2 2 222.292 -0.012 20 0 BBADLP C[N@H+]1CCC[C@@H]([NH2+]CCC(=O)NC(N)=O)C1 ZINC000591733649 347693827 /nfs/dbraw/zinc/69/38/27/347693827.db2.gz DKVKSSINHNFULQ-MRVPVSSYSA-N 2 2 228.296 -0.745 20 0 BBADLP C[N@@H+]1CCC[C@@H]([NH2+]CCC(=O)NC(N)=O)C1 ZINC000591733649 347693826 /nfs/dbraw/zinc/69/38/26/347693826.db2.gz DKVKSSINHNFULQ-MRVPVSSYSA-N 2 2 228.296 -0.745 20 0 BBADLP C[N@H+]1CCC[C@H]([NH2+]CCC(=O)NC(N)=O)C1 ZINC000591733650 347693955 /nfs/dbraw/zinc/69/39/55/347693955.db2.gz DKVKSSINHNFULQ-QMMMGPOBSA-N 2 2 228.296 -0.745 20 0 BBADLP C[N@@H+]1CCC[C@H]([NH2+]CCC(=O)NC(N)=O)C1 ZINC000591733650 347693951 /nfs/dbraw/zinc/69/39/51/347693951.db2.gz DKVKSSINHNFULQ-QMMMGPOBSA-N 2 2 228.296 -0.745 20 0 BBADLP CSC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C ZINC000592430281 347784996 /nfs/dbraw/zinc/78/49/96/347784996.db2.gz SRAWRDLQOKCJNI-BDAKNGLRSA-N 2 2 222.354 -0.778 20 0 BBADLP CSC[C@H](O)C[NH2+]C[C@H](O)C[NH+](C)C ZINC000592430282 347785096 /nfs/dbraw/zinc/78/50/96/347785096.db2.gz SRAWRDLQOKCJNI-DTWKUNHWSA-N 2 2 222.354 -0.778 20 0 BBADLP CSC[C@@H](O)C[NH2+]C[C@H](O)C[NH+](C)C ZINC000592430283 347785186 /nfs/dbraw/zinc/78/51/86/347785186.db2.gz SRAWRDLQOKCJNI-IUCAKERBSA-N 2 2 222.354 -0.778 20 0 BBADLP CSC[C@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C ZINC000592430285 347784988 /nfs/dbraw/zinc/78/49/88/347784988.db2.gz SRAWRDLQOKCJNI-RKDXNWHRSA-N 2 2 222.354 -0.778 20 0 BBADLP NC(=O)NC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471216 347789925 /nfs/dbraw/zinc/78/99/25/347789925.db2.gz MKLUHPMBPJNURX-UHFFFAOYSA-N 2 2 240.307 -0.602 20 0 BBADLP NC(=O)NC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471216 347789921 /nfs/dbraw/zinc/78/99/21/347789921.db2.gz MKLUHPMBPJNURX-UHFFFAOYSA-N 2 2 240.307 -0.602 20 0 BBADLP CCOC(=O)CC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592475199 347791287 /nfs/dbraw/zinc/79/12/87/347791287.db2.gz BDRMGWCVAHQKCP-NXEZZACHSA-N 2 2 230.308 -0.012 20 0 BBADLP CCOC(=O)CC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592475199 347791285 /nfs/dbraw/zinc/79/12/85/347791285.db2.gz BDRMGWCVAHQKCP-NXEZZACHSA-N 2 2 230.308 -0.012 20 0 BBADLP CCOC(=O)CC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000592475200 347791217 /nfs/dbraw/zinc/79/12/17/347791217.db2.gz BDRMGWCVAHQKCP-UWVGGRQHSA-N 2 2 230.308 -0.012 20 0 BBADLP CCOC(=O)CC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000592475200 347791215 /nfs/dbraw/zinc/79/12/15/347791215.db2.gz BDRMGWCVAHQKCP-UWVGGRQHSA-N 2 2 230.308 -0.012 20 0 BBADLP CCOC(=O)CC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592475201 347791278 /nfs/dbraw/zinc/79/12/78/347791278.db2.gz BDRMGWCVAHQKCP-VHSXEESVSA-N 2 2 230.308 -0.012 20 0 BBADLP CCOC(=O)CC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592475201 347791277 /nfs/dbraw/zinc/79/12/77/347791277.db2.gz BDRMGWCVAHQKCP-VHSXEESVSA-N 2 2 230.308 -0.012 20 0 BBADLP CCOC(=O)CC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592475202 347791524 /nfs/dbraw/zinc/79/15/24/347791524.db2.gz BDRMGWCVAHQKCP-ZJUUUORDSA-N 2 2 230.308 -0.012 20 0 BBADLP CCOC(=O)CC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592475202 347791521 /nfs/dbraw/zinc/79/15/21/347791521.db2.gz BDRMGWCVAHQKCP-ZJUUUORDSA-N 2 2 230.308 -0.012 20 0 BBADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)NC(N)=O ZINC000592475527 347791639 /nfs/dbraw/zinc/79/16/39/347791639.db2.gz MMXCJTNCQDKPNR-SECBINFHSA-N 2 2 216.285 -0.856 20 0 BBADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)NC(N)=O ZINC000592475528 347791608 /nfs/dbraw/zinc/79/16/08/347791608.db2.gz MMXCJTNCQDKPNR-VIFPVBQESA-N 2 2 216.285 -0.856 20 0 BBADLP CNC(=O)NC(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000592484478 347786356 /nfs/dbraw/zinc/78/63/56/347786356.db2.gz CPCGOBKVSULPKS-UHFFFAOYSA-N 2 2 228.296 -0.745 20 0 BBADLP CCNC(=O)NC(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000592484858 347786162 /nfs/dbraw/zinc/78/61/62/347786162.db2.gz FXZPLQAITQRYGK-UHFFFAOYSA-N 2 2 242.323 -0.355 20 0 BBADLP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(C)([NH3+])CC1 ZINC000592484917 347786361 /nfs/dbraw/zinc/78/63/61/347786361.db2.gz IMQBHZNZJCESGH-SSDOTTSWSA-N 2 2 228.296 -0.617 20 0 BBADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(C)([NH3+])CC1 ZINC000592484918 347786174 /nfs/dbraw/zinc/78/61/74/347786174.db2.gz IMQBHZNZJCESGH-ZETCQYMHSA-N 2 2 228.296 -0.617 20 0 BBADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000592485782 347786832 /nfs/dbraw/zinc/78/68/32/347786832.db2.gz YQCNJZDGFICTML-MRVPVSSYSA-N 2 2 242.323 -0.356 20 0 BBADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000592485783 347786746 /nfs/dbraw/zinc/78/67/46/347786746.db2.gz YQCNJZDGFICTML-QMMMGPOBSA-N 2 2 242.323 -0.356 20 0 BBADLP NC(=O)NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000592489570 347786707 /nfs/dbraw/zinc/78/67/07/347786707.db2.gz OUYARAWREKIUSS-LLVKDONJSA-N 2 2 240.307 -0.743 20 0 BBADLP NC(=O)NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000592489570 347786705 /nfs/dbraw/zinc/78/67/05/347786705.db2.gz OUYARAWREKIUSS-LLVKDONJSA-N 2 2 240.307 -0.743 20 0 BBADLP NC(=O)NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000592489571 347786921 /nfs/dbraw/zinc/78/69/21/347786921.db2.gz OUYARAWREKIUSS-NSHDSACASA-N 2 2 240.307 -0.743 20 0 BBADLP NC(=O)NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000592489571 347786918 /nfs/dbraw/zinc/78/69/18/347786918.db2.gz OUYARAWREKIUSS-NSHDSACASA-N 2 2 240.307 -0.743 20 0 BBADLP COC(=O)[C@@H]1C[N@@H+](CCC[NH3+])C[C@H](C)O1 ZINC000593316357 347881156 /nfs/dbraw/zinc/88/11/56/347881156.db2.gz PQPWVNDZVSBTAT-IUCAKERBSA-N 2 2 216.281 -0.403 20 0 BBADLP COC(=O)[C@@H]1C[N@H+](CCC[NH3+])C[C@H](C)O1 ZINC000593316357 347881154 /nfs/dbraw/zinc/88/11/54/347881154.db2.gz PQPWVNDZVSBTAT-IUCAKERBSA-N 2 2 216.281 -0.403 20 0 BBADLP COC(=O)[C@@H]1C[N@@H+](CCOCC[NH3+])C[C@H](C)O1 ZINC000593736742 347939462 /nfs/dbraw/zinc/93/94/62/347939462.db2.gz HATZVHTYEQHGTO-UWVGGRQHSA-N 2 2 246.307 -0.776 20 0 BBADLP COC(=O)[C@@H]1C[N@H+](CCOCC[NH3+])C[C@H](C)O1 ZINC000593736742 347939459 /nfs/dbraw/zinc/93/94/59/347939459.db2.gz HATZVHTYEQHGTO-UWVGGRQHSA-N 2 2 246.307 -0.776 20 0 BBADLP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000593737321 347939265 /nfs/dbraw/zinc/93/92/65/347939265.db2.gz VQKREDYXWSOBHK-AXFHLTTASA-N 2 2 242.319 -0.142 20 0 BBADLP COC(=O)[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000593737321 347939262 /nfs/dbraw/zinc/93/92/62/347939262.db2.gz VQKREDYXWSOBHK-AXFHLTTASA-N 2 2 242.319 -0.142 20 0 BBADLP COC(=O)[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000593737322 347939301 /nfs/dbraw/zinc/93/93/01/347939301.db2.gz VQKREDYXWSOBHK-DCAQKATOSA-N 2 2 242.319 -0.142 20 0 BBADLP COC(=O)[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000593737322 347939298 /nfs/dbraw/zinc/93/92/98/347939298.db2.gz VQKREDYXWSOBHK-DCAQKATOSA-N 2 2 242.319 -0.142 20 0 BBADLP CSCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593901248 347967412 /nfs/dbraw/zinc/96/74/12/347967412.db2.gz CWNJTXFAWVYJLU-MRVPVSSYSA-N 2 2 219.354 -0.255 20 0 BBADLP CSCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593901249 347967244 /nfs/dbraw/zinc/96/72/44/347967244.db2.gz CWNJTXFAWVYJLU-QMMMGPOBSA-N 2 2 219.354 -0.255 20 0 BBADLP CC[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(=O)OC ZINC000593902064 347967165 /nfs/dbraw/zinc/96/71/65/347967165.db2.gz NCQMVCQFJBADRM-BDAKNGLRSA-N 2 2 245.323 -0.667 20 0 BBADLP CC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(=O)OC ZINC000593902066 347967446 /nfs/dbraw/zinc/96/74/46/347967446.db2.gz NCQMVCQFJBADRM-DTWKUNHWSA-N 2 2 245.323 -0.667 20 0 BBADLP CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(=O)OC ZINC000593902067 347967350 /nfs/dbraw/zinc/96/73/50/347967350.db2.gz NCQMVCQFJBADRM-IUCAKERBSA-N 2 2 245.323 -0.667 20 0 BBADLP CC[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(=O)OC ZINC000593902068 347967362 /nfs/dbraw/zinc/96/73/62/347967362.db2.gz NCQMVCQFJBADRM-RKDXNWHRSA-N 2 2 245.323 -0.667 20 0 BBADLP CCOC(=O)CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593902444 347967368 /nfs/dbraw/zinc/96/73/68/347967368.db2.gz TYKQVSYZTJBCIR-SECBINFHSA-N 2 2 245.323 -0.665 20 0 BBADLP CCOC(=O)CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593902445 347967192 /nfs/dbraw/zinc/96/71/92/347967192.db2.gz TYKQVSYZTJBCIR-VIFPVBQESA-N 2 2 245.323 -0.665 20 0 BBADLP COC(=O)[C@H](C)N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593905973 347968676 /nfs/dbraw/zinc/96/86/76/347968676.db2.gz FEULGKGLXRANOJ-DTWKUNHWSA-N 2 2 245.323 -0.715 20 0 BBADLP COC(=O)[C@H](C)N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593905974 347968579 /nfs/dbraw/zinc/96/85/79/347968579.db2.gz FEULGKGLXRANOJ-IUCAKERBSA-N 2 2 245.323 -0.715 20 0 BBADLP COC(=O)[C@@H]([NH3+])Cc1cn(-c2cc[nH+]cc2)nn1 ZINC000594645589 348086608 /nfs/dbraw/zinc/08/66/08/348086608.db2.gz NIDVVWCXYJIWQV-JTQLQIEISA-N 2 2 247.258 -0.295 20 0 BBADLP COC(=O)[C@H]([NH3+])Cc1cn(-c2cc[nH+]cc2)nn1 ZINC000594645590 348086549 /nfs/dbraw/zinc/08/65/49/348086549.db2.gz NIDVVWCXYJIWQV-SNVBAGLBSA-N 2 2 247.258 -0.295 20 0 BBADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ccncc3)CCN2C1=O ZINC000594736336 348109509 /nfs/dbraw/zinc/10/95/09/348109509.db2.gz BFNVIBVYWPREKP-NEPJUHHUSA-N 2 2 246.314 -0.175 20 0 BBADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3ccncc3)CCN2C1=O ZINC000594736336 348109506 /nfs/dbraw/zinc/10/95/06/348109506.db2.gz BFNVIBVYWPREKP-NEPJUHHUSA-N 2 2 246.314 -0.175 20 0 BBADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3ccncc3)CCN2C1=O ZINC000594736337 348109845 /nfs/dbraw/zinc/10/98/45/348109845.db2.gz BFNVIBVYWPREKP-NWDGAFQWSA-N 2 2 246.314 -0.175 20 0 BBADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3ccncc3)CCN2C1=O ZINC000594736337 348109843 /nfs/dbraw/zinc/10/98/43/348109843.db2.gz BFNVIBVYWPREKP-NWDGAFQWSA-N 2 2 246.314 -0.175 20 0 BBADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3ccncc3)CCN2C1=O ZINC000594736338 348109919 /nfs/dbraw/zinc/10/99/19/348109919.db2.gz BFNVIBVYWPREKP-RYUDHWBXSA-N 2 2 246.314 -0.175 20 0 BBADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3ccncc3)CCN2C1=O ZINC000594736338 348109918 /nfs/dbraw/zinc/10/99/18/348109918.db2.gz BFNVIBVYWPREKP-RYUDHWBXSA-N 2 2 246.314 -0.175 20 0 BBADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3ccncc3)CCN2C1=O ZINC000594736339 348109976 /nfs/dbraw/zinc/10/99/76/348109976.db2.gz BFNVIBVYWPREKP-VXGBXAGGSA-N 2 2 246.314 -0.175 20 0 BBADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3ccncc3)CCN2C1=O ZINC000594736339 348109974 /nfs/dbraw/zinc/10/99/74/348109974.db2.gz BFNVIBVYWPREKP-VXGBXAGGSA-N 2 2 246.314 -0.175 20 0 BBADLP Cc1n[nH]cc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594737017 348109810 /nfs/dbraw/zinc/10/98/10/348109810.db2.gz VXRDGVDMQGPGCJ-GHMZBOCLSA-N 2 2 249.318 -0.538 20 0 BBADLP Cc1n[nH]cc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594737017 348109807 /nfs/dbraw/zinc/10/98/07/348109807.db2.gz VXRDGVDMQGPGCJ-GHMZBOCLSA-N 2 2 249.318 -0.538 20 0 BBADLP Cc1n[nH]cc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594737018 348109776 /nfs/dbraw/zinc/10/97/76/348109776.db2.gz VXRDGVDMQGPGCJ-MNOVXSKESA-N 2 2 249.318 -0.538 20 0 BBADLP Cc1n[nH]cc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594737018 348109775 /nfs/dbraw/zinc/10/97/75/348109775.db2.gz VXRDGVDMQGPGCJ-MNOVXSKESA-N 2 2 249.318 -0.538 20 0 BBADLP Cc1n[nH]cc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594737019 348109687 /nfs/dbraw/zinc/10/96/87/348109687.db2.gz VXRDGVDMQGPGCJ-QWRGUYRKSA-N 2 2 249.318 -0.538 20 0 BBADLP Cc1n[nH]cc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594737019 348109684 /nfs/dbraw/zinc/10/96/84/348109684.db2.gz VXRDGVDMQGPGCJ-QWRGUYRKSA-N 2 2 249.318 -0.538 20 0 BBADLP Cc1n[nH]cc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594737020 348109767 /nfs/dbraw/zinc/10/97/67/348109767.db2.gz VXRDGVDMQGPGCJ-WDEREUQCSA-N 2 2 249.318 -0.538 20 0 BBADLP Cc1n[nH]cc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594737020 348109765 /nfs/dbraw/zinc/10/97/65/348109765.db2.gz VXRDGVDMQGPGCJ-WDEREUQCSA-N 2 2 249.318 -0.538 20 0 BBADLP Cc1c[nH]nc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594739243 348110561 /nfs/dbraw/zinc/11/05/61/348110561.db2.gz PYYBXPOJQSLVFV-NXEZZACHSA-N 2 2 249.318 -0.538 20 0 BBADLP Cc1c[nH]nc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594739243 348110560 /nfs/dbraw/zinc/11/05/60/348110560.db2.gz PYYBXPOJQSLVFV-NXEZZACHSA-N 2 2 249.318 -0.538 20 0 BBADLP Cc1c[nH]nc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594739244 348110620 /nfs/dbraw/zinc/11/06/20/348110620.db2.gz PYYBXPOJQSLVFV-UWVGGRQHSA-N 2 2 249.318 -0.538 20 0 BBADLP Cc1c[nH]nc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594739244 348110618 /nfs/dbraw/zinc/11/06/18/348110618.db2.gz PYYBXPOJQSLVFV-UWVGGRQHSA-N 2 2 249.318 -0.538 20 0 BBADLP Cc1c[nH]nc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594739245 348110467 /nfs/dbraw/zinc/11/04/67/348110467.db2.gz PYYBXPOJQSLVFV-VHSXEESVSA-N 2 2 249.318 -0.538 20 0 BBADLP Cc1c[nH]nc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594739245 348110464 /nfs/dbraw/zinc/11/04/64/348110464.db2.gz PYYBXPOJQSLVFV-VHSXEESVSA-N 2 2 249.318 -0.538 20 0 BBADLP Cc1c[nH]nc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594739246 348110646 /nfs/dbraw/zinc/11/06/46/348110646.db2.gz PYYBXPOJQSLVFV-ZJUUUORDSA-N 2 2 249.318 -0.538 20 0 BBADLP Cc1c[nH]nc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594739246 348110645 /nfs/dbraw/zinc/11/06/45/348110645.db2.gz PYYBXPOJQSLVFV-ZJUUUORDSA-N 2 2 249.318 -0.538 20 0 BBADLP COC(=O)[C@@](C)(CO)[NH2+]CCCn1cc[nH+]c1 ZINC000595532093 348274437 /nfs/dbraw/zinc/27/44/37/348274437.db2.gz ONYMSUXLICCMMP-LLVKDONJSA-N 2 2 241.291 -0.213 20 0 BBADLP COC(=O)[C@](C)(CO)[NH2+]CCCn1cc[nH+]c1 ZINC000595532094 348274397 /nfs/dbraw/zinc/27/43/97/348274397.db2.gz ONYMSUXLICCMMP-NSHDSACASA-N 2 2 241.291 -0.213 20 0 BBADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000595662916 348301071 /nfs/dbraw/zinc/30/10/71/348301071.db2.gz FFFKWPPNLVTREL-VHSXEESVSA-N 2 2 239.275 -0.197 20 0 BBADLP COC(=O)C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000595891642 348390100 /nfs/dbraw/zinc/39/01/00/348390100.db2.gz JNLRKHCHNYZDMP-LLVKDONJSA-N 2 2 242.319 -0.140 20 0 BBADLP COC(=O)C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000595892006 348390290 /nfs/dbraw/zinc/39/02/90/348390290.db2.gz JNLRKHCHNYZDMP-NSHDSACASA-N 2 2 242.319 -0.140 20 0 BBADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000595901082 348394659 /nfs/dbraw/zinc/39/46/59/348394659.db2.gz CHRPHCLVHFGHKG-MRVPVSSYSA-N 2 2 244.339 -0.110 20 0 BBADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)[NH3+] ZINC000595901082 348394658 /nfs/dbraw/zinc/39/46/58/348394658.db2.gz CHRPHCLVHFGHKG-MRVPVSSYSA-N 2 2 244.339 -0.110 20 0 BBADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000595901083 348394675 /nfs/dbraw/zinc/39/46/75/348394675.db2.gz CHRPHCLVHFGHKG-QMMMGPOBSA-N 2 2 244.339 -0.110 20 0 BBADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC(C)(C)[NH3+] ZINC000595901083 348394673 /nfs/dbraw/zinc/39/46/73/348394673.db2.gz CHRPHCLVHFGHKG-QMMMGPOBSA-N 2 2 244.339 -0.110 20 0 BBADLP COC(=O)C12CC(C1)C[N@H+]2CCOCC[NH3+] ZINC000595902378 348394689 /nfs/dbraw/zinc/39/46/89/348394689.db2.gz IGACGOJXXZVZJK-UHFFFAOYSA-N 2 2 228.292 -0.401 20 0 BBADLP COC(=O)C12CC(C1)C[N@@H+]2CCOCC[NH3+] ZINC000595902378 348394687 /nfs/dbraw/zinc/39/46/87/348394687.db2.gz IGACGOJXXZVZJK-UHFFFAOYSA-N 2 2 228.292 -0.401 20 0 BBADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000595902487 348395075 /nfs/dbraw/zinc/39/50/75/348395075.db2.gz QMEWRKGEWIKJCL-SSDOTTSWSA-N 2 2 230.312 -0.500 20 0 BBADLP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)[NH3+] ZINC000595902487 348395072 /nfs/dbraw/zinc/39/50/72/348395072.db2.gz QMEWRKGEWIKJCL-SSDOTTSWSA-N 2 2 230.312 -0.500 20 0 BBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000595902488 348395388 /nfs/dbraw/zinc/39/53/88/348395388.db2.gz QMEWRKGEWIKJCL-ZETCQYMHSA-N 2 2 230.312 -0.500 20 0 BBADLP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CC(C)(C)[NH3+] ZINC000595902488 348395386 /nfs/dbraw/zinc/39/53/86/348395386.db2.gz QMEWRKGEWIKJCL-ZETCQYMHSA-N 2 2 230.312 -0.500 20 0 BBADLP CCSCC[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000595902831 348395625 /nfs/dbraw/zinc/39/56/25/348395625.db2.gz TXPYMOLSYIZMFJ-SECBINFHSA-N 2 2 222.354 -0.647 20 0 BBADLP CCSCC[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000595902831 348395622 /nfs/dbraw/zinc/39/56/22/348395622.db2.gz TXPYMOLSYIZMFJ-SECBINFHSA-N 2 2 222.354 -0.647 20 0 BBADLP CCSCC[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000595902832 348395448 /nfs/dbraw/zinc/39/54/48/348395448.db2.gz TXPYMOLSYIZMFJ-VIFPVBQESA-N 2 2 222.354 -0.647 20 0 BBADLP CCSCC[N@H+](CC[NH3+])C[C@H](O)CO ZINC000595902832 348395445 /nfs/dbraw/zinc/39/54/45/348395445.db2.gz TXPYMOLSYIZMFJ-VIFPVBQESA-N 2 2 222.354 -0.647 20 0 BBADLP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CC(C)(C)[NH3+] ZINC000595904060 348395597 /nfs/dbraw/zinc/39/55/97/348395597.db2.gz XVONARCLUDASEE-LURJTMIESA-N 2 2 216.285 -0.761 20 0 BBADLP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CC(C)(C)[NH3+] ZINC000595904060 348395595 /nfs/dbraw/zinc/39/55/95/348395595.db2.gz XVONARCLUDASEE-LURJTMIESA-N 2 2 216.285 -0.761 20 0 BBADLP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CC(C)(C)[NH3+] ZINC000595904061 348395420 /nfs/dbraw/zinc/39/54/20/348395420.db2.gz XVONARCLUDASEE-ZCFIWIBFSA-N 2 2 216.285 -0.761 20 0 BBADLP C[C@H](C(=O)NC(N)=O)[N@H+](C)CC(C)(C)[NH3+] ZINC000595904061 348395418 /nfs/dbraw/zinc/39/54/18/348395418.db2.gz XVONARCLUDASEE-ZCFIWIBFSA-N 2 2 216.285 -0.761 20 0 BBADLP CCOC(=O)C12CC(C1)C[N@H+]2CCOCC[NH3+] ZINC000595904820 348395940 /nfs/dbraw/zinc/39/59/40/348395940.db2.gz LTJQTUZLJPKLPO-UHFFFAOYSA-N 2 2 242.319 -0.011 20 0 BBADLP CCOC(=O)C12CC(C1)C[N@@H+]2CCOCC[NH3+] ZINC000595904820 348395936 /nfs/dbraw/zinc/39/59/36/348395936.db2.gz LTJQTUZLJPKLPO-UHFFFAOYSA-N 2 2 242.319 -0.011 20 0 BBADLP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595905492 348396140 /nfs/dbraw/zinc/39/61/40/348396140.db2.gz CZOFFECEGMYBHN-HTQZYQBOSA-N 2 2 246.286 -0.797 20 0 BBADLP COC[C@@]1(C(=O)OC)CCC[N@H+]1CCC[NH3+] ZINC000595905517 348396623 /nfs/dbraw/zinc/39/66/23/348396623.db2.gz URBNIYLEGAHWGZ-LLVKDONJSA-N 2 2 230.308 -0.011 20 0 BBADLP COC[C@@]1(C(=O)OC)CCC[N@@H+]1CCC[NH3+] ZINC000595905517 348396619 /nfs/dbraw/zinc/39/66/19/348396619.db2.gz URBNIYLEGAHWGZ-LLVKDONJSA-N 2 2 230.308 -0.011 20 0 BBADLP COC[C@]1(C(=O)OC)CCC[N@H+]1CCC[NH3+] ZINC000595905518 348396349 /nfs/dbraw/zinc/39/63/49/348396349.db2.gz URBNIYLEGAHWGZ-NSHDSACASA-N 2 2 230.308 -0.011 20 0 BBADLP COC[C@]1(C(=O)OC)CCC[N@@H+]1CCC[NH3+] ZINC000595905518 348396346 /nfs/dbraw/zinc/39/63/46/348396346.db2.gz URBNIYLEGAHWGZ-NSHDSACASA-N 2 2 230.308 -0.011 20 0 BBADLP COC(=O)[C@H]1C[C@@H]([N@@H+](C)C[C@@H]2C[NH2+]CCO2)C1 ZINC000595905987 348397546 /nfs/dbraw/zinc/39/75/46/348397546.db2.gz ZOYJHBGSKJMAQE-AXFHLTTASA-N 2 2 242.319 -0.142 20 0 BBADLP COC(=O)[C@H]1C[C@@H]([N@H+](C)C[C@@H]2C[NH2+]CCO2)C1 ZINC000595905987 348397543 /nfs/dbraw/zinc/39/75/43/348397543.db2.gz ZOYJHBGSKJMAQE-AXFHLTTASA-N 2 2 242.319 -0.142 20 0 BBADLP COC(=O)[C@H]1C[C@@H]([N@@H+](C)C[C@H]2C[NH2+]CCO2)C1 ZINC000595905991 348397506 /nfs/dbraw/zinc/39/75/06/348397506.db2.gz ZOYJHBGSKJMAQE-OUAUKWLOSA-N 2 2 242.319 -0.142 20 0 BBADLP COC(=O)[C@H]1C[C@@H]([N@H+](C)C[C@H]2C[NH2+]CCO2)C1 ZINC000595905991 348397505 /nfs/dbraw/zinc/39/75/05/348397505.db2.gz ZOYJHBGSKJMAQE-OUAUKWLOSA-N 2 2 242.319 -0.142 20 0 BBADLP CNC(=O)NC(=O)CC[N@H+]1CC2CC1(C[NH3+])C2 ZINC000595908911 348398245 /nfs/dbraw/zinc/39/82/45/348398245.db2.gz JJYRPSJWNBWELW-UHFFFAOYSA-N 2 2 240.307 -0.745 20 0 BBADLP CNC(=O)NC(=O)CC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000595908911 348398241 /nfs/dbraw/zinc/39/82/41/348398241.db2.gz JJYRPSJWNBWELW-UHFFFAOYSA-N 2 2 240.307 -0.745 20 0 BBADLP COC(=O)[C@](C)(CCF)[NH2+]CCOCC[NH3+] ZINC000595909811 348398070 /nfs/dbraw/zinc/39/80/70/348398070.db2.gz NUJBIZFZGCAXST-JTQLQIEISA-N 2 2 236.287 -0.157 20 0 BBADLP COC(=O)[C@@](C)(CCF)[NH2+]CCOCC[NH3+] ZINC000595909812 348397898 /nfs/dbraw/zinc/39/78/98/348397898.db2.gz NUJBIZFZGCAXST-SNVBAGLBSA-N 2 2 236.287 -0.157 20 0 BBADLP CCC[N@H+]1CC[C@@H]([NH2+]CCC(=O)NC(N)=O)C1 ZINC000596065785 348436989 /nfs/dbraw/zinc/43/69/89/348436989.db2.gz MEDHCBIVQZUFSQ-SECBINFHSA-N 2 2 242.323 -0.355 20 0 BBADLP CCC[N@@H+]1CC[C@@H]([NH2+]CCC(=O)NC(N)=O)C1 ZINC000596065785 348436986 /nfs/dbraw/zinc/43/69/86/348436986.db2.gz MEDHCBIVQZUFSQ-SECBINFHSA-N 2 2 242.323 -0.355 20 0 BBADLP CCC[N@H+]1CC[C@H]([NH2+]CCC(=O)NC(N)=O)C1 ZINC000596065786 348436845 /nfs/dbraw/zinc/43/68/45/348436845.db2.gz MEDHCBIVQZUFSQ-VIFPVBQESA-N 2 2 242.323 -0.355 20 0 BBADLP CCC[N@@H+]1CC[C@H]([NH2+]CCC(=O)NC(N)=O)C1 ZINC000596065786 348436843 /nfs/dbraw/zinc/43/68/43/348436843.db2.gz MEDHCBIVQZUFSQ-VIFPVBQESA-N 2 2 242.323 -0.355 20 0 BBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598683986 349016237 /nfs/dbraw/zinc/01/62/37/349016237.db2.gz UZXPGPCLBGRDDM-FYBVGQRMSA-N 2 2 240.307 -0.617 20 0 BBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598683986 349016233 /nfs/dbraw/zinc/01/62/33/349016233.db2.gz UZXPGPCLBGRDDM-FYBVGQRMSA-N 2 2 240.307 -0.617 20 0 BBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598683992 349015782 /nfs/dbraw/zinc/01/57/82/349015782.db2.gz UZXPGPCLBGRDDM-SOCHQFKDSA-N 2 2 240.307 -0.617 20 0 BBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598683992 349015779 /nfs/dbraw/zinc/01/57/79/349015779.db2.gz UZXPGPCLBGRDDM-SOCHQFKDSA-N 2 2 240.307 -0.617 20 0 BBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598683993 349016180 /nfs/dbraw/zinc/01/61/80/349016180.db2.gz UZXPGPCLBGRDDM-VHSKPIJISA-N 2 2 240.307 -0.617 20 0 BBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598683993 349016177 /nfs/dbraw/zinc/01/61/77/349016177.db2.gz UZXPGPCLBGRDDM-VHSKPIJISA-N 2 2 240.307 -0.617 20 0 BBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598683994 349016091 /nfs/dbraw/zinc/01/60/91/349016091.db2.gz UZXPGPCLBGRDDM-XLDPMVHQSA-N 2 2 240.307 -0.617 20 0 BBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598683994 349016086 /nfs/dbraw/zinc/01/60/86/349016086.db2.gz UZXPGPCLBGRDDM-XLDPMVHQSA-N 2 2 240.307 -0.617 20 0 BBADLP COC(=O)CCCC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000600712350 344361609 /nfs/dbraw/zinc/36/16/09/344361609.db2.gz XFOUIHBPZLVIDC-JTQLQIEISA-N 2 2 230.308 -0.011 20 0 BBADLP COC(=O)CCCC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000600712350 344361607 /nfs/dbraw/zinc/36/16/07/344361607.db2.gz XFOUIHBPZLVIDC-JTQLQIEISA-N 2 2 230.308 -0.011 20 0 BBADLP COC(=O)CCCC[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000600712351 344361543 /nfs/dbraw/zinc/36/15/43/344361543.db2.gz XFOUIHBPZLVIDC-SNVBAGLBSA-N 2 2 230.308 -0.011 20 0 BBADLP COC(=O)CCCC[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000600712351 344361541 /nfs/dbraw/zinc/36/15/41/344361541.db2.gz XFOUIHBPZLVIDC-SNVBAGLBSA-N 2 2 230.308 -0.011 20 0 BBADLP CC[N@@H+](CC[NH3+])CCC(=O)N(C)CC(=O)OC ZINC000600721202 344363007 /nfs/dbraw/zinc/36/30/07/344363007.db2.gz UGKVXJJRIKDZQI-UHFFFAOYSA-N 2 2 245.323 -0.712 20 0 BBADLP CC[N@H+](CC[NH3+])CCC(=O)N(C)CC(=O)OC ZINC000600721202 344363005 /nfs/dbraw/zinc/36/30/05/344363005.db2.gz UGKVXJJRIKDZQI-UHFFFAOYSA-N 2 2 245.323 -0.712 20 0 BBADLP C[NH2+]CCOCC[N@@H+](C)CC(=O)OC ZINC000600725731 344363686 /nfs/dbraw/zinc/36/36/86/344363686.db2.gz FYZNBAXBSHDEES-UHFFFAOYSA-N 2 2 204.270 -0.673 20 0 BBADLP C[NH2+]CCOCC[N@H+](C)CC(=O)OC ZINC000600725731 344363684 /nfs/dbraw/zinc/36/36/84/344363684.db2.gz FYZNBAXBSHDEES-UHFFFAOYSA-N 2 2 204.270 -0.673 20 0 BBADLP CCOC(=O)C[N@@H+](C)CCOCC[NH2+]C ZINC000600727833 344364070 /nfs/dbraw/zinc/36/40/70/344364070.db2.gz MYJCXTDSQFHUEA-UHFFFAOYSA-N 2 2 218.297 -0.283 20 0 BBADLP CCOC(=O)C[N@H+](C)CCOCC[NH2+]C ZINC000600727833 344364068 /nfs/dbraw/zinc/36/40/68/344364068.db2.gz MYJCXTDSQFHUEA-UHFFFAOYSA-N 2 2 218.297 -0.283 20 0 BBADLP C[NH2+]CCOCC[N@@H+](C)[C@H](C)C(=O)OC ZINC000600729200 344363955 /nfs/dbraw/zinc/36/39/55/344363955.db2.gz SMLKEIKREIMDJJ-SECBINFHSA-N 2 2 218.297 -0.284 20 0 BBADLP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)OC ZINC000600729200 344363953 /nfs/dbraw/zinc/36/39/53/344363953.db2.gz SMLKEIKREIMDJJ-SECBINFHSA-N 2 2 218.297 -0.284 20 0 BBADLP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)OC ZINC000600729201 344364075 /nfs/dbraw/zinc/36/40/75/344364075.db2.gz SMLKEIKREIMDJJ-VIFPVBQESA-N 2 2 218.297 -0.284 20 0 BBADLP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)OC ZINC000600729201 344364074 /nfs/dbraw/zinc/36/40/74/344364074.db2.gz SMLKEIKREIMDJJ-VIFPVBQESA-N 2 2 218.297 -0.284 20 0 BBADLP COC(=O)[C@@H]1C[N@@H+](CCOCC[NH3+])C[C@@H](C)O1 ZINC000600729444 344364083 /nfs/dbraw/zinc/36/40/83/344364083.db2.gz HATZVHTYEQHGTO-ZJUUUORDSA-N 2 2 246.307 -0.776 20 0 BBADLP COC(=O)[C@@H]1C[N@H+](CCOCC[NH3+])C[C@@H](C)O1 ZINC000600729444 344364081 /nfs/dbraw/zinc/36/40/81/344364081.db2.gz HATZVHTYEQHGTO-ZJUUUORDSA-N 2 2 246.307 -0.776 20 0 BBADLP COC(=O)[C@@H]1C[N@@H+](CCC[NH3+])C[C@@H](C)O1 ZINC000600731200 344364637 /nfs/dbraw/zinc/36/46/37/344364637.db2.gz PQPWVNDZVSBTAT-BDAKNGLRSA-N 2 2 216.281 -0.403 20 0 BBADLP COC(=O)[C@@H]1C[N@H+](CCC[NH3+])C[C@@H](C)O1 ZINC000600731200 344364634 /nfs/dbraw/zinc/36/46/34/344364634.db2.gz PQPWVNDZVSBTAT-BDAKNGLRSA-N 2 2 216.281 -0.403 20 0 BBADLP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000600731844 344364752 /nfs/dbraw/zinc/36/47/52/344364752.db2.gz VQKREDYXWSOBHK-MXWKQRLJSA-N 2 2 242.319 -0.142 20 0 BBADLP COC(=O)[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000600731844 344364749 /nfs/dbraw/zinc/36/47/49/344364749.db2.gz VQKREDYXWSOBHK-MXWKQRLJSA-N 2 2 242.319 -0.142 20 0 BBADLP COC(=O)[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000600731845 344364485 /nfs/dbraw/zinc/36/44/85/344364485.db2.gz VQKREDYXWSOBHK-VWYCJHECSA-N 2 2 242.319 -0.142 20 0 BBADLP COC(=O)[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000600731845 344364483 /nfs/dbraw/zinc/36/44/83/344364483.db2.gz VQKREDYXWSOBHK-VWYCJHECSA-N 2 2 242.319 -0.142 20 0 BBADLP COC(=O)[C@@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000600735624 344365059 /nfs/dbraw/zinc/36/50/59/344365059.db2.gz MQQJYNMOUHNADW-MRVPVSSYSA-N 2 2 204.270 -0.545 20 0 BBADLP COC(=O)[C@@H](C)[N@H+](C)CCOCC[NH3+] ZINC000600735624 344365057 /nfs/dbraw/zinc/36/50/57/344365057.db2.gz MQQJYNMOUHNADW-MRVPVSSYSA-N 2 2 204.270 -0.545 20 0 BBADLP COC(=O)[C@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000600735628 344365094 /nfs/dbraw/zinc/36/50/94/344365094.db2.gz MQQJYNMOUHNADW-QMMMGPOBSA-N 2 2 204.270 -0.545 20 0 BBADLP COC(=O)[C@H](C)[N@H+](C)CCOCC[NH3+] ZINC000600735628 344365092 /nfs/dbraw/zinc/36/50/92/344365092.db2.gz MQQJYNMOUHNADW-QMMMGPOBSA-N 2 2 204.270 -0.545 20 0 BBADLP CCOC(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000600735706 344365230 /nfs/dbraw/zinc/36/52/30/344365230.db2.gz NQWDKJLJVZODQW-UHFFFAOYSA-N 2 2 204.270 -0.543 20 0 BBADLP CCOC(=O)C[N@H+](C)CCOCC[NH3+] ZINC000600735706 344365228 /nfs/dbraw/zinc/36/52/28/344365228.db2.gz NQWDKJLJVZODQW-UHFFFAOYSA-N 2 2 204.270 -0.543 20 0 BBADLP CCOC(=O)[C@@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000600742599 344367493 /nfs/dbraw/zinc/36/74/93/344367493.db2.gz XGOXWIVNAFAGEL-SECBINFHSA-N 2 2 218.297 -0.155 20 0 BBADLP CCOC(=O)[C@@H](C)[N@H+](C)CCOCC[NH3+] ZINC000600742599 344367492 /nfs/dbraw/zinc/36/74/92/344367492.db2.gz XGOXWIVNAFAGEL-SECBINFHSA-N 2 2 218.297 -0.155 20 0 BBADLP CCOC(=O)[C@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000600742606 344367523 /nfs/dbraw/zinc/36/75/23/344367523.db2.gz XGOXWIVNAFAGEL-VIFPVBQESA-N 2 2 218.297 -0.155 20 0 BBADLP CCOC(=O)[C@H](C)[N@H+](C)CCOCC[NH3+] ZINC000600742606 344367520 /nfs/dbraw/zinc/36/75/20/344367520.db2.gz XGOXWIVNAFAGEL-VIFPVBQESA-N 2 2 218.297 -0.155 20 0 BBADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC(=O)NC(N)=O)C2 ZINC000600746976 344368767 /nfs/dbraw/zinc/36/87/67/344368767.db2.gz VFJDZRSEGXAQOV-PHIMTYICSA-N 2 2 240.307 -0.887 20 0 BBADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC(=O)NC(N)=O)C2 ZINC000600746976 344368766 /nfs/dbraw/zinc/36/87/66/344368766.db2.gz VFJDZRSEGXAQOV-PHIMTYICSA-N 2 2 240.307 -0.887 20 0 BBADLP Cc1cc(NC(=O)CN2CC[NH+](C)CC2)cc[nH+]1 ZINC000600930193 344399051 /nfs/dbraw/zinc/39/90/51/344399051.db2.gz XURMPYDRLWVPEY-UHFFFAOYSA-N 2 2 248.330 -0.002 20 0 BBADLP Cc1c[nH+]ccc1NC(=O)CN1CC[NH+](C)CC1 ZINC000601004738 345993408 /nfs/dbraw/zinc/99/34/08/345993408.db2.gz PILWYDSMICEQHI-UHFFFAOYSA-N 2 2 248.330 -0.002 20 0 BBADLP NC(=O)NC(=O)CC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601328000 347213701 /nfs/dbraw/zinc/21/37/01/347213701.db2.gz CZDWOYKEJHQESL-KCJUWKMLSA-N 2 2 240.307 -0.697 20 0 BBADLP CNC(=O)NC(=O)CC[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000601329501 347217813 /nfs/dbraw/zinc/21/78/13/347217813.db2.gz JXVKBQOKBAIAID-HTQZYQBOSA-N 2 2 228.296 -0.746 20 0 BBADLP CNC(=O)NC(=O)CC[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000601329501 347217810 /nfs/dbraw/zinc/21/78/10/347217810.db2.gz JXVKBQOKBAIAID-HTQZYQBOSA-N 2 2 228.296 -0.746 20 0 BBADLP CNC(=O)NC(=O)CC[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000601329502 347217896 /nfs/dbraw/zinc/21/78/96/347217896.db2.gz JXVKBQOKBAIAID-JGVFFNPUSA-N 2 2 228.296 -0.746 20 0 BBADLP CNC(=O)NC(=O)CC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000601329502 347217894 /nfs/dbraw/zinc/21/78/94/347217894.db2.gz JXVKBQOKBAIAID-JGVFFNPUSA-N 2 2 228.296 -0.746 20 0 BBADLP CNC(=O)NC(=O)CC[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000601329503 347217839 /nfs/dbraw/zinc/21/78/39/347217839.db2.gz JXVKBQOKBAIAID-SFYZADRCSA-N 2 2 228.296 -0.746 20 0 BBADLP CNC(=O)NC(=O)CC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000601329503 347217835 /nfs/dbraw/zinc/21/78/35/347217835.db2.gz JXVKBQOKBAIAID-SFYZADRCSA-N 2 2 228.296 -0.746 20 0 BBADLP CNC(=O)NC(=O)CC[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000601329504 347218032 /nfs/dbraw/zinc/21/80/32/347218032.db2.gz JXVKBQOKBAIAID-YUMQZZPRSA-N 2 2 228.296 -0.746 20 0 BBADLP CNC(=O)NC(=O)CC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000601329504 347218030 /nfs/dbraw/zinc/21/80/30/347218030.db2.gz JXVKBQOKBAIAID-YUMQZZPRSA-N 2 2 228.296 -0.746 20 0 BBADLP CNC(=O)NC(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601332385 347226178 /nfs/dbraw/zinc/22/61/78/347226178.db2.gz KCWVMQLZKNLJEB-KCJUWKMLSA-N 2 2 240.307 -0.826 20 0 BBADLP NC(=O)NC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601335883 347230216 /nfs/dbraw/zinc/23/02/16/347230216.db2.gz ZFZCSCKJVNBRPA-BDAKNGLRSA-N 2 2 240.307 -0.745 20 0 BBADLP NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601335883 347230214 /nfs/dbraw/zinc/23/02/14/347230214.db2.gz ZFZCSCKJVNBRPA-BDAKNGLRSA-N 2 2 240.307 -0.745 20 0 BBADLP NC(=O)NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601335884 347230443 /nfs/dbraw/zinc/23/04/43/347230443.db2.gz ZFZCSCKJVNBRPA-DTWKUNHWSA-N 2 2 240.307 -0.745 20 0 BBADLP NC(=O)NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601335884 347230441 /nfs/dbraw/zinc/23/04/41/347230441.db2.gz ZFZCSCKJVNBRPA-DTWKUNHWSA-N 2 2 240.307 -0.745 20 0 BBADLP NC(=O)NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601335885 347230193 /nfs/dbraw/zinc/23/01/93/347230193.db2.gz ZFZCSCKJVNBRPA-IUCAKERBSA-N 2 2 240.307 -0.745 20 0 BBADLP NC(=O)NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601335885 347230187 /nfs/dbraw/zinc/23/01/87/347230187.db2.gz ZFZCSCKJVNBRPA-IUCAKERBSA-N 2 2 240.307 -0.745 20 0 BBADLP NC(=O)NC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601335886 347230430 /nfs/dbraw/zinc/23/04/30/347230430.db2.gz ZFZCSCKJVNBRPA-RKDXNWHRSA-N 2 2 240.307 -0.745 20 0 BBADLP NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601335886 347230428 /nfs/dbraw/zinc/23/04/28/347230428.db2.gz ZFZCSCKJVNBRPA-RKDXNWHRSA-N 2 2 240.307 -0.745 20 0 BBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000602390828 349519352 /nfs/dbraw/zinc/51/93/52/349519352.db2.gz ANUGHCHEUGEKDN-SECBINFHSA-N 2 2 226.324 -0.177 20 0 BBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000602390828 349519349 /nfs/dbraw/zinc/51/93/49/349519349.db2.gz ANUGHCHEUGEKDN-SECBINFHSA-N 2 2 226.324 -0.177 20 0 BBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000602390876 349519340 /nfs/dbraw/zinc/51/93/40/349519340.db2.gz ANUGHCHEUGEKDN-VIFPVBQESA-N 2 2 226.324 -0.177 20 0 BBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000602390876 349519339 /nfs/dbraw/zinc/51/93/39/349519339.db2.gz ANUGHCHEUGEKDN-VIFPVBQESA-N 2 2 226.324 -0.177 20 0 BBADLP CCN(C#N)CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000602767788 349722668 /nfs/dbraw/zinc/72/26/68/349722668.db2.gz JIHAPJHAFPARRR-GHMZBOCLSA-N 2 2 208.309 -0.059 20 0 BBADLP CCN(C#N)CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000602767813 349723009 /nfs/dbraw/zinc/72/30/09/349723009.db2.gz JIHAPJHAFPARRR-PHIMTYICSA-N 2 2 208.309 -0.059 20 0 BBADLP CCN(C#N)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000602767813 349723005 /nfs/dbraw/zinc/72/30/05/349723005.db2.gz JIHAPJHAFPARRR-PHIMTYICSA-N 2 2 208.309 -0.059 20 0 BBADLP CCN(C#N)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000602767814 349722815 /nfs/dbraw/zinc/72/28/15/349722815.db2.gz JIHAPJHAFPARRR-QWRGUYRKSA-N 2 2 208.309 -0.059 20 0 BBADLP COC(=O)CC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602891084 349795302 /nfs/dbraw/zinc/79/53/02/349795302.db2.gz KKIWGBTWUCYEFS-GFCCVEGCSA-N 2 2 244.335 -0.062 20 0 BBADLP COC(=O)CC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602891084 349795297 /nfs/dbraw/zinc/79/52/97/349795297.db2.gz KKIWGBTWUCYEFS-GFCCVEGCSA-N 2 2 244.335 -0.062 20 0 BBADLP COC(=O)CC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602891086 349795090 /nfs/dbraw/zinc/79/50/90/349795090.db2.gz KKIWGBTWUCYEFS-LBPRGKRZSA-N 2 2 244.335 -0.062 20 0 BBADLP COC(=O)CC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602891086 349795086 /nfs/dbraw/zinc/79/50/86/349795086.db2.gz KKIWGBTWUCYEFS-LBPRGKRZSA-N 2 2 244.335 -0.062 20 0 BBADLP C[NH+](C)CCC[N@@H+](C)CCNS(C)(=O)=O ZINC000604773907 350186560 /nfs/dbraw/zinc/18/65/60/350186560.db2.gz ODWQOULYILPZRT-UHFFFAOYSA-N 2 2 237.369 -0.581 20 0 BBADLP C[NH+](C)CCC[N@H+](C)CCNS(C)(=O)=O ZINC000604773907 350186557 /nfs/dbraw/zinc/18/65/57/350186557.db2.gz ODWQOULYILPZRT-UHFFFAOYSA-N 2 2 237.369 -0.581 20 0 BBADLP C[NH+](C)C1(C(=O)NCC[NH+]2CCC2)CC1 ZINC000612843016 360105408 /nfs/dbraw/zinc/10/54/08/360105408.db2.gz KGZBCOULBDOIRR-UHFFFAOYSA-N 2 2 211.309 -0.098 20 0 BBADLP C[C@@]1(NC(=O)NCCn2cc[nH+]c2)CC[NH2+]C1 ZINC000612862513 360115798 /nfs/dbraw/zinc/11/57/98/360115798.db2.gz MBKOZXPVSJXERZ-LLVKDONJSA-N 2 2 237.307 -0.066 20 0 BBADLP C[C@]1(NC(=O)NCCn2cc[nH+]c2)CC[NH2+]C1 ZINC000612862514 360116091 /nfs/dbraw/zinc/11/60/91/360116091.db2.gz MBKOZXPVSJXERZ-NSHDSACASA-N 2 2 237.307 -0.066 20 0 BBADLP Cn1cc[nH+]c1CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612874327 360150354 /nfs/dbraw/zinc/15/03/54/360150354.db2.gz CULWDNJYONOWFY-LLVKDONJSA-N 2 2 237.307 -0.029 20 0 BBADLP Cn1cc[nH+]c1CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612874328 360150296 /nfs/dbraw/zinc/15/02/96/360150296.db2.gz CULWDNJYONOWFY-NSHDSACASA-N 2 2 237.307 -0.029 20 0 BBADLP CCOC(=O)CC[NH+]1CCC([NH2+]CCO)CC1 ZINC000613559464 363482184 /nfs/dbraw/zinc/48/21/84/363482184.db2.gz FTRNGDKSBJAMOF-UHFFFAOYSA-N 2 2 244.335 -0.014 20 0 BBADLP C[NH+](C)C[C@@H](CO)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000614847029 363994616 /nfs/dbraw/zinc/99/46/16/363994616.db2.gz JKPAVLPQBIQVTN-JTQLQIEISA-N 2 2 243.351 -0.633 20 0 BBADLP C[NH+](C)C[C@H](CO)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000614847032 363995200 /nfs/dbraw/zinc/99/52/00/363995200.db2.gz JKPAVLPQBIQVTN-SNVBAGLBSA-N 2 2 243.351 -0.633 20 0 BBADLP Cn1c[nH+]cc1CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000614850640 364001862 /nfs/dbraw/zinc/00/18/62/364001862.db2.gz AIFZDPNTJMLUTQ-SECBINFHSA-N 2 2 240.307 -0.999 20 0 BBADLP Cn1c[nH+]cc1CC(=O)N[C@H](CO)C[NH+](C)C ZINC000614850643 364002305 /nfs/dbraw/zinc/00/23/05/364002305.db2.gz AIFZDPNTJMLUTQ-VIFPVBQESA-N 2 2 240.307 -0.999 20 0 BBADLP C[NH+](C)C[C@@H](CO)NC(=O)CCc1c[nH]c[nH+]1 ZINC000614850711 364001762 /nfs/dbraw/zinc/00/17/62/364001762.db2.gz BTKAKVMWLLNRMO-JTQLQIEISA-N 2 2 240.307 -0.619 20 0 BBADLP C[NH+](C)C[C@@H](CO)NC(=O)CCc1c[nH+]c[nH]1 ZINC000614850711 364001761 /nfs/dbraw/zinc/00/17/61/364001761.db2.gz BTKAKVMWLLNRMO-JTQLQIEISA-N 2 2 240.307 -0.619 20 0 BBADLP C[NH+](C)C[C@H](CO)NC(=O)CCc1c[nH]c[nH+]1 ZINC000614850712 364001637 /nfs/dbraw/zinc/00/16/37/364001637.db2.gz BTKAKVMWLLNRMO-SNVBAGLBSA-N 2 2 240.307 -0.619 20 0 BBADLP C[NH+](C)C[C@H](CO)NC(=O)CCc1c[nH+]c[nH]1 ZINC000614850712 364001631 /nfs/dbraw/zinc/00/16/31/364001631.db2.gz BTKAKVMWLLNRMO-SNVBAGLBSA-N 2 2 240.307 -0.619 20 0 BBADLP C[NH+](C)C[C@H](CO)NC(=O)CCc1[nH]cc[nH+]1 ZINC000614851017 364004494 /nfs/dbraw/zinc/00/44/94/364004494.db2.gz DSEUCBINYQJSFG-SECBINFHSA-N 2 2 240.307 -0.619 20 0 BBADLP C[NH+](C)C[C@@H](CO)NC(=O)CCc1[nH]cc[nH+]1 ZINC000614851018 364004575 /nfs/dbraw/zinc/00/45/75/364004575.db2.gz DSEUCBINYQJSFG-VIFPVBQESA-N 2 2 240.307 -0.619 20 0 BBADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000614853444 364008444 /nfs/dbraw/zinc/00/84/44/364008444.db2.gz WAOBHJOETNELJM-SECBINFHSA-N 2 2 240.307 -0.701 20 0 BBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000614853444 364008438 /nfs/dbraw/zinc/00/84/38/364008438.db2.gz WAOBHJOETNELJM-SECBINFHSA-N 2 2 240.307 -0.701 20 0 BBADLP Cc1[nH]c[nH+]c1CC(=O)N[C@H](CO)C[NH+](C)C ZINC000614853445 364008415 /nfs/dbraw/zinc/00/84/15/364008415.db2.gz WAOBHJOETNELJM-VIFPVBQESA-N 2 2 240.307 -0.701 20 0 BBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](CO)C[NH+](C)C ZINC000614853445 364008410 /nfs/dbraw/zinc/00/84/10/364008410.db2.gz WAOBHJOETNELJM-VIFPVBQESA-N 2 2 240.307 -0.701 20 0 BBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH+](C)C ZINC000616488355 343473614 /nfs/dbraw/zinc/47/36/14/343473614.db2.gz LZIVIHSKFJBETR-VIFPVBQESA-N 2 2 210.281 -0.051 20 0 BBADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000616925401 347456490 /nfs/dbraw/zinc/45/64/90/347456490.db2.gz GNOCGJCYOGIBCV-JTQLQIEISA-N 2 2 238.291 -0.301 20 0 BBADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000616925401 347456487 /nfs/dbraw/zinc/45/64/87/347456487.db2.gz GNOCGJCYOGIBCV-JTQLQIEISA-N 2 2 238.291 -0.301 20 0 BBADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000616925402 347456425 /nfs/dbraw/zinc/45/64/25/347456425.db2.gz GNOCGJCYOGIBCV-SNVBAGLBSA-N 2 2 238.291 -0.301 20 0 BBADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000616925402 347456424 /nfs/dbraw/zinc/45/64/24/347456424.db2.gz GNOCGJCYOGIBCV-SNVBAGLBSA-N 2 2 238.291 -0.301 20 0 BBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[NH+](C)C)[C@H](C)CO1 ZINC000617735787 356303784 /nfs/dbraw/zinc/30/37/84/356303784.db2.gz UKVLUZCMOIUITR-GHMZBOCLSA-N 2 2 243.351 -0.227 20 0 BBADLP C[C@@H]1C[N@H+](CCNC(=O)C[NH+](C)C)[C@H](C)CO1 ZINC000617735787 356303783 /nfs/dbraw/zinc/30/37/83/356303783.db2.gz UKVLUZCMOIUITR-GHMZBOCLSA-N 2 2 243.351 -0.227 20 0 BBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C[NH+](C)C ZINC000617735788 356304162 /nfs/dbraw/zinc/30/41/62/356304162.db2.gz UKVLUZCMOIUITR-MNOVXSKESA-N 2 2 243.351 -0.227 20 0 BBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C[NH+](C)C ZINC000617735788 356304158 /nfs/dbraw/zinc/30/41/58/356304158.db2.gz UKVLUZCMOIUITR-MNOVXSKESA-N 2 2 243.351 -0.227 20 0 BBADLP C[C@H]1C[N@@H+](CCNC(=O)C[NH+](C)C)[C@@H](C)CO1 ZINC000617735789 356304145 /nfs/dbraw/zinc/30/41/45/356304145.db2.gz UKVLUZCMOIUITR-QWRGUYRKSA-N 2 2 243.351 -0.227 20 0 BBADLP C[C@H]1C[N@H+](CCNC(=O)C[NH+](C)C)[C@@H](C)CO1 ZINC000617735789 356304141 /nfs/dbraw/zinc/30/41/41/356304141.db2.gz UKVLUZCMOIUITR-QWRGUYRKSA-N 2 2 243.351 -0.227 20 0 BBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[NH+](C)C)[C@@H](C)CO1 ZINC000617735790 356303965 /nfs/dbraw/zinc/30/39/65/356303965.db2.gz UKVLUZCMOIUITR-WDEREUQCSA-N 2 2 243.351 -0.227 20 0 BBADLP C[C@@H]1C[N@H+](CCNC(=O)C[NH+](C)C)[C@@H](C)CO1 ZINC000617735790 356303961 /nfs/dbraw/zinc/30/39/61/356303961.db2.gz UKVLUZCMOIUITR-WDEREUQCSA-N 2 2 243.351 -0.227 20 0 BBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(C)(C)O ZINC000617765015 356325985 /nfs/dbraw/zinc/32/59/85/356325985.db2.gz PYHUWBFEYWGKLO-UHFFFAOYSA-N 2 2 245.367 -0.243 20 0 BBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(C)(C)O ZINC000617765015 356325981 /nfs/dbraw/zinc/32/59/81/356325981.db2.gz PYHUWBFEYWGKLO-UHFFFAOYSA-N 2 2 245.367 -0.243 20 0 BBADLP C[C@H](O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765177 356329596 /nfs/dbraw/zinc/32/95/96/356329596.db2.gz WJTHKIXMLGSHBA-JTQLQIEISA-N 2 2 231.340 -0.633 20 0 BBADLP C[C@H](O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765177 356329592 /nfs/dbraw/zinc/32/95/92/356329592.db2.gz WJTHKIXMLGSHBA-JTQLQIEISA-N 2 2 231.340 -0.633 20 0 BBADLP C[C@@H](O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765181 356329469 /nfs/dbraw/zinc/32/94/69/356329469.db2.gz WJTHKIXMLGSHBA-SNVBAGLBSA-N 2 2 231.340 -0.633 20 0 BBADLP C[C@@H](O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765181 356329465 /nfs/dbraw/zinc/32/94/65/356329465.db2.gz WJTHKIXMLGSHBA-SNVBAGLBSA-N 2 2 231.340 -0.633 20 0 BBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[NH+](C)C ZINC000617766890 356328534 /nfs/dbraw/zinc/32/85/34/356328534.db2.gz XVVWZUWGKREGHG-UHFFFAOYSA-N 3 2 244.383 -0.452 20 0 BBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[NH+](C)C ZINC000617766890 356328530 /nfs/dbraw/zinc/32/85/30/356328530.db2.gz XVVWZUWGKREGHG-UHFFFAOYSA-N 3 2 244.383 -0.452 20 0 BBADLP COCC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768586 356330984 /nfs/dbraw/zinc/33/09/84/356330984.db2.gz KRUIHJLGKXPJKB-UHFFFAOYSA-N 2 2 231.340 -0.368 20 0 BBADLP COCC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768586 356330982 /nfs/dbraw/zinc/33/09/82/356330982.db2.gz KRUIHJLGKXPJKB-UHFFFAOYSA-N 2 2 231.340 -0.368 20 0 BBADLP CN(CC1C[NH+](C)C1)C(=O)Cc1c[nH+]cn1C ZINC000618191252 343561915 /nfs/dbraw/zinc/56/19/15/343561915.db2.gz YYIWKBTYIHDSGJ-UHFFFAOYSA-N 2 2 236.319 -0.017 20 0 BBADLP C[C@H]([NH3+])CCNC(=O)NCC[NH+]1CCOCC1 ZINC000621241941 370175063 /nfs/dbraw/zinc/17/50/63/370175063.db2.gz OXFQMRONVQHBDA-JTQLQIEISA-N 2 2 244.339 -0.645 20 0 BBADLP CNS(=O)(=O)CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000621257686 370191044 /nfs/dbraw/zinc/19/10/44/370191044.db2.gz GZSWDMQQVILGMZ-JTQLQIEISA-N 2 2 249.380 -0.581 20 0 BBADLP CNS(=O)(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000621257686 370191042 /nfs/dbraw/zinc/19/10/42/370191042.db2.gz GZSWDMQQVILGMZ-JTQLQIEISA-N 2 2 249.380 -0.581 20 0 BBADLP CNS(=O)(=O)CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000621257687 370191060 /nfs/dbraw/zinc/19/10/60/370191060.db2.gz GZSWDMQQVILGMZ-SNVBAGLBSA-N 2 2 249.380 -0.581 20 0 BBADLP CNS(=O)(=O)CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000621257687 370191057 /nfs/dbraw/zinc/19/10/57/370191057.db2.gz GZSWDMQQVILGMZ-SNVBAGLBSA-N 2 2 249.380 -0.581 20 0 BBADLP COc1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])cn1 ZINC000621776410 370524201 /nfs/dbraw/zinc/52/42/01/370524201.db2.gz KMXURHQNHTYDMC-JTQLQIEISA-N 2 2 225.292 -0.158 20 0 BBADLP COc1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])cn1 ZINC000621776410 370524199 /nfs/dbraw/zinc/52/41/99/370524199.db2.gz KMXURHQNHTYDMC-JTQLQIEISA-N 2 2 225.292 -0.158 20 0 BBADLP COc1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])cn1 ZINC000621776411 370524310 /nfs/dbraw/zinc/52/43/10/370524310.db2.gz KMXURHQNHTYDMC-SNVBAGLBSA-N 2 2 225.292 -0.158 20 0 BBADLP COc1ccc(C[N@H+](C)C[C@H](O)C[NH3+])cn1 ZINC000621776411 370524307 /nfs/dbraw/zinc/52/43/07/370524307.db2.gz KMXURHQNHTYDMC-SNVBAGLBSA-N 2 2 225.292 -0.158 20 0 BBADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621783762 370533845 /nfs/dbraw/zinc/53/38/45/370533845.db2.gz FZTOBVJRKBOXBL-GXSJLCMTSA-N 2 2 211.309 -0.112 20 0 BBADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621783762 370533840 /nfs/dbraw/zinc/53/38/40/370533840.db2.gz FZTOBVJRKBOXBL-GXSJLCMTSA-N 2 2 211.309 -0.112 20 0 BBADLP CN(C)C(=O)C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621783763 370534366 /nfs/dbraw/zinc/53/43/66/370534366.db2.gz FZTOBVJRKBOXBL-KOLCDFICSA-N 2 2 211.309 -0.112 20 0 BBADLP CN(C)C(=O)C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621783763 370534361 /nfs/dbraw/zinc/53/43/61/370534361.db2.gz FZTOBVJRKBOXBL-KOLCDFICSA-N 2 2 211.309 -0.112 20 0 BBADLP CN(C)C(=O)C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621783764 370533826 /nfs/dbraw/zinc/53/38/26/370533826.db2.gz FZTOBVJRKBOXBL-MWLCHTKSSA-N 2 2 211.309 -0.112 20 0 BBADLP CN(C)C(=O)C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621783764 370533823 /nfs/dbraw/zinc/53/38/23/370533823.db2.gz FZTOBVJRKBOXBL-MWLCHTKSSA-N 2 2 211.309 -0.112 20 0 BBADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621783765 370534415 /nfs/dbraw/zinc/53/44/15/370534415.db2.gz FZTOBVJRKBOXBL-ONGXEEELSA-N 2 2 211.309 -0.112 20 0 BBADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621783765 370534410 /nfs/dbraw/zinc/53/44/10/370534410.db2.gz FZTOBVJRKBOXBL-ONGXEEELSA-N 2 2 211.309 -0.112 20 0 BBADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC000621783980 370534048 /nfs/dbraw/zinc/53/40/48/370534048.db2.gz HZXRHLZCUHSZNF-CHWSQXEVSA-N 3 2 238.379 -0.295 20 0 BBADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCN1CC[NH2+]CC1)C2 ZINC000621783980 370534045 /nfs/dbraw/zinc/53/40/45/370534045.db2.gz HZXRHLZCUHSZNF-CHWSQXEVSA-N 3 2 238.379 -0.295 20 0 BBADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC000621783983 370533639 /nfs/dbraw/zinc/53/36/39/370533639.db2.gz HZXRHLZCUHSZNF-OLZOCXBDSA-N 3 2 238.379 -0.295 20 0 BBADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCN1CC[NH2+]CC1)C2 ZINC000621783983 370533635 /nfs/dbraw/zinc/53/36/35/370533635.db2.gz HZXRHLZCUHSZNF-OLZOCXBDSA-N 3 2 238.379 -0.295 20 0 BBADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC000621783984 370533922 /nfs/dbraw/zinc/53/39/22/370533922.db2.gz HZXRHLZCUHSZNF-QWHCGFSZSA-N 3 2 238.379 -0.295 20 0 BBADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCN1CC[NH2+]CC1)C2 ZINC000621783984 370533917 /nfs/dbraw/zinc/53/39/17/370533917.db2.gz HZXRHLZCUHSZNF-QWHCGFSZSA-N 3 2 238.379 -0.295 20 0 BBADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC000621783985 370533338 /nfs/dbraw/zinc/53/33/38/370533338.db2.gz HZXRHLZCUHSZNF-STQMWFEESA-N 3 2 238.379 -0.295 20 0 BBADLP [NH3+][C@]12CCC[C@H]1C[N@H+](CCN1CC[NH2+]CC1)C2 ZINC000621783985 370533332 /nfs/dbraw/zinc/53/33/32/370533332.db2.gz HZXRHLZCUHSZNF-STQMWFEESA-N 3 2 238.379 -0.295 20 0 BBADLP C[C@H]([NH3+])CCNC(=O)NCCn1cc[nH+]c1 ZINC000621837232 370557400 /nfs/dbraw/zinc/55/74/00/370557400.db2.gz BTSOLHDZQCUAAC-VIFPVBQESA-N 2 2 225.296 -0.080 20 0 BBADLP Cn1c[nH+]c(CCNC(=O)C[NH+](C)C)c1 ZINC000622685777 371062478 /nfs/dbraw/zinc/06/24/78/371062478.db2.gz JYZMOOPKBMDPLJ-UHFFFAOYSA-N 2 2 210.281 -0.360 20 0 BBADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000623259270 356081977 /nfs/dbraw/zinc/08/19/77/356081977.db2.gz XDUXUYFGLONSOK-NXEZZACHSA-N 2 2 234.303 -0.124 20 0 BBADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000623259270 356081975 /nfs/dbraw/zinc/08/19/75/356081975.db2.gz XDUXUYFGLONSOK-NXEZZACHSA-N 2 2 234.303 -0.124 20 0 BBADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000623259271 356082083 /nfs/dbraw/zinc/08/20/83/356082083.db2.gz XDUXUYFGLONSOK-UWVGGRQHSA-N 2 2 234.303 -0.124 20 0 BBADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000623259271 356082078 /nfs/dbraw/zinc/08/20/78/356082078.db2.gz XDUXUYFGLONSOK-UWVGGRQHSA-N 2 2 234.303 -0.124 20 0 BBADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000623259272 356081918 /nfs/dbraw/zinc/08/19/18/356081918.db2.gz XDUXUYFGLONSOK-VHSXEESVSA-N 2 2 234.303 -0.124 20 0 BBADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000623259272 356081915 /nfs/dbraw/zinc/08/19/15/356081915.db2.gz XDUXUYFGLONSOK-VHSXEESVSA-N 2 2 234.303 -0.124 20 0 BBADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000623259273 356082163 /nfs/dbraw/zinc/08/21/63/356082163.db2.gz XDUXUYFGLONSOK-ZJUUUORDSA-N 2 2 234.303 -0.124 20 0 BBADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000623259273 356082162 /nfs/dbraw/zinc/08/21/62/356082162.db2.gz XDUXUYFGLONSOK-ZJUUUORDSA-N 2 2 234.303 -0.124 20 0 BBADLP C[C@@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)[NH+](C)C ZINC000623264404 356236112 /nfs/dbraw/zinc/23/61/12/356236112.db2.gz KRCGDOCSMNWKAR-DTWKUNHWSA-N 2 2 222.292 -0.126 20 0 BBADLP C[C@@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)[NH+](C)C ZINC000623264405 356236552 /nfs/dbraw/zinc/23/65/52/356236552.db2.gz KRCGDOCSMNWKAR-IUCAKERBSA-N 2 2 222.292 -0.126 20 0 BBADLP C[NH+](C)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623267909 356330952 /nfs/dbraw/zinc/33/09/52/356330952.db2.gz AVKLYMCCQLHZOU-MRVPVSSYSA-N 2 2 208.265 -0.514 20 0 BBADLP C[NH+](C)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623267910 356331132 /nfs/dbraw/zinc/33/11/32/356331132.db2.gz AVKLYMCCQLHZOU-QMMMGPOBSA-N 2 2 208.265 -0.514 20 0 BBADLP C[NH+](C)CC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623304413 356591549 /nfs/dbraw/zinc/59/15/49/356591549.db2.gz YBTXXJMJMCJERK-SECBINFHSA-N 2 2 222.292 -0.124 20 0 BBADLP C[NH+](C)CC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623304414 356591482 /nfs/dbraw/zinc/59/14/82/356591482.db2.gz YBTXXJMJMCJERK-VIFPVBQESA-N 2 2 222.292 -0.124 20 0 BBADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCOC1 ZINC000623618754 363073694 /nfs/dbraw/zinc/07/36/94/363073694.db2.gz CYCDRGKKSDUKPZ-MNOVXSKESA-N 2 2 241.335 -0.295 20 0 BBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCOC1 ZINC000623618754 363073692 /nfs/dbraw/zinc/07/36/92/363073692.db2.gz CYCDRGKKSDUKPZ-MNOVXSKESA-N 2 2 241.335 -0.295 20 0 BBADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCOC1 ZINC000623618755 363074400 /nfs/dbraw/zinc/07/44/00/363074400.db2.gz CYCDRGKKSDUKPZ-QWRGUYRKSA-N 2 2 241.335 -0.295 20 0 BBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCOC1 ZINC000623618755 363074395 /nfs/dbraw/zinc/07/43/95/363074395.db2.gz CYCDRGKKSDUKPZ-QWRGUYRKSA-N 2 2 241.335 -0.295 20 0 BBADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000623662536 369078576 /nfs/dbraw/zinc/07/85/76/369078576.db2.gz BZJUDWHTCWNMHI-AATLWQCWSA-N 2 2 211.309 -0.210 20 0 BBADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000623662536 369078572 /nfs/dbraw/zinc/07/85/72/369078572.db2.gz BZJUDWHTCWNMHI-AATLWQCWSA-N 2 2 211.309 -0.210 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000623662537 369079165 /nfs/dbraw/zinc/07/91/65/369079165.db2.gz BZJUDWHTCWNMHI-KYXWUPHJSA-N 2 2 211.309 -0.210 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000623662537 369079161 /nfs/dbraw/zinc/07/91/61/369079161.db2.gz BZJUDWHTCWNMHI-KYXWUPHJSA-N 2 2 211.309 -0.210 20 0 BBADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000623662538 369078415 /nfs/dbraw/zinc/07/84/15/369078415.db2.gz BZJUDWHTCWNMHI-XKNYDFJKSA-N 2 2 211.309 -0.210 20 0 BBADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000623662538 369078411 /nfs/dbraw/zinc/07/84/11/369078411.db2.gz BZJUDWHTCWNMHI-XKNYDFJKSA-N 2 2 211.309 -0.210 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000623662539 369078756 /nfs/dbraw/zinc/07/87/56/369078756.db2.gz BZJUDWHTCWNMHI-ZYUZMQFOSA-N 2 2 211.309 -0.210 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000623662539 369078754 /nfs/dbraw/zinc/07/87/54/369078754.db2.gz BZJUDWHTCWNMHI-ZYUZMQFOSA-N 2 2 211.309 -0.210 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H]1COCCN1C ZINC000623711893 362984796 /nfs/dbraw/zinc/98/47/96/362984796.db2.gz RNFSZKUIKYIWHR-GRYCIOLGSA-N 2 2 227.352 -0.143 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H]1COCCN1C ZINC000623711893 362984789 /nfs/dbraw/zinc/98/47/89/362984789.db2.gz RNFSZKUIKYIWHR-GRYCIOLGSA-N 2 2 227.352 -0.143 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H]1COCCN1C ZINC000623711894 362986282 /nfs/dbraw/zinc/98/62/82/362986282.db2.gz RNFSZKUIKYIWHR-IJLUTSLNSA-N 2 2 227.352 -0.143 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H]1COCCN1C ZINC000623711894 362986281 /nfs/dbraw/zinc/98/62/81/362986281.db2.gz RNFSZKUIKYIWHR-IJLUTSLNSA-N 2 2 227.352 -0.143 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1COCCN1C ZINC000623711895 362986285 /nfs/dbraw/zinc/98/62/85/362986285.db2.gz RNFSZKUIKYIWHR-UTUOFQBUSA-N 2 2 227.352 -0.143 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1COCCN1C ZINC000623711895 362986284 /nfs/dbraw/zinc/98/62/84/362986284.db2.gz RNFSZKUIKYIWHR-UTUOFQBUSA-N 2 2 227.352 -0.143 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1COCCN1C ZINC000623711896 362986266 /nfs/dbraw/zinc/98/62/66/362986266.db2.gz RNFSZKUIKYIWHR-WOPDTQHZSA-N 2 2 227.352 -0.143 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1COCCN1C ZINC000623711896 362986265 /nfs/dbraw/zinc/98/62/65/362986265.db2.gz RNFSZKUIKYIWHR-WOPDTQHZSA-N 2 2 227.352 -0.143 20 0 BBADLP C[NH+]1CCC([NH2+]CCN2CC[C@@H](O)C2)CC1 ZINC000623758324 356796573 /nfs/dbraw/zinc/79/65/73/356796573.db2.gz XEXOVKURDRLVDH-GFCCVEGCSA-N 2 2 227.352 -0.263 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000623758438 356813976 /nfs/dbraw/zinc/81/39/76/356813976.db2.gz BDIJTKKLPMOZFI-IJLUTSLNSA-N 2 2 227.352 -0.407 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000623758438 356813975 /nfs/dbraw/zinc/81/39/75/356813975.db2.gz BDIJTKKLPMOZFI-IJLUTSLNSA-N 2 2 227.352 -0.407 20 0 BBADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000623758439 356813983 /nfs/dbraw/zinc/81/39/83/356813983.db2.gz BDIJTKKLPMOZFI-QJPTWQEYSA-N 2 2 227.352 -0.407 20 0 BBADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000623758439 356813982 /nfs/dbraw/zinc/81/39/82/356813982.db2.gz BDIJTKKLPMOZFI-QJPTWQEYSA-N 2 2 227.352 -0.407 20 0 BBADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000623758440 356814236 /nfs/dbraw/zinc/81/42/36/356814236.db2.gz BDIJTKKLPMOZFI-TUAOUCFPSA-N 2 2 227.352 -0.407 20 0 BBADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000623758440 356814232 /nfs/dbraw/zinc/81/42/32/356814232.db2.gz BDIJTKKLPMOZFI-TUAOUCFPSA-N 2 2 227.352 -0.407 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000623758441 356813979 /nfs/dbraw/zinc/81/39/79/356813979.db2.gz BDIJTKKLPMOZFI-UTUOFQBUSA-N 2 2 227.352 -0.407 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000623758441 356813978 /nfs/dbraw/zinc/81/39/78/356813978.db2.gz BDIJTKKLPMOZFI-UTUOFQBUSA-N 2 2 227.352 -0.407 20 0 BBADLP O[C@@H]1CC[N@@H+](CC[NH2+]CC2=CCCOC2)C1 ZINC000623759070 371084530 /nfs/dbraw/zinc/08/45/30/371084530.db2.gz ZANYQDHSMYLTHE-GFCCVEGCSA-N 2 2 226.320 -0.011 20 0 BBADLP O[C@@H]1CC[N@H+](CC[NH2+]CC2=CCCOC2)C1 ZINC000623759070 371084527 /nfs/dbraw/zinc/08/45/27/371084527.db2.gz ZANYQDHSMYLTHE-GFCCVEGCSA-N 2 2 226.320 -0.011 20 0 BBADLP CCC[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623797218 371098489 /nfs/dbraw/zinc/09/84/89/371098489.db2.gz GXECDJZGTMAKLN-UHFFFAOYSA-N 2 2 237.311 -0.771 20 0 BBADLP CC[NH+]1CCC(Nc2nc(N)nc(N)[nH+]2)CC1 ZINC000623813594 371106257 /nfs/dbraw/zinc/10/62/57/371106257.db2.gz VGPIUTRNBPYPPK-UHFFFAOYSA-N 2 2 237.311 -0.985 20 0 BBADLP Nc1nc(N)[nH+]c(NC2CC[NH+](C3CC3)CC2)n1 ZINC000623829546 371115901 /nfs/dbraw/zinc/11/59/01/371115901.db2.gz LRKONIWHCJHXKB-UHFFFAOYSA-N 2 2 249.322 -0.843 20 0 BBADLP C[NH+]1CCC([NH2+]CCN2CC[C@H](O)C2)CC1 ZINC000623837078 342952197 /nfs/dbraw/zinc/95/21/97/342952197.db2.gz XEXOVKURDRLVDH-LBPRGKRZSA-N 2 2 227.352 -0.263 20 0 BBADLP O[C@H]1CC[N@@H+](CC[NH2+]CC2=CCCOC2)C1 ZINC000623837132 371119935 /nfs/dbraw/zinc/11/99/35/371119935.db2.gz ZANYQDHSMYLTHE-LBPRGKRZSA-N 2 2 226.320 -0.011 20 0 BBADLP O[C@H]1CC[N@H+](CC[NH2+]CC2=CCCOC2)C1 ZINC000623837132 371119931 /nfs/dbraw/zinc/11/99/31/371119931.db2.gz ZANYQDHSMYLTHE-LBPRGKRZSA-N 2 2 226.320 -0.011 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000623837363 343077104 /nfs/dbraw/zinc/07/71/04/343077104.db2.gz BDIJTKKLPMOZFI-GRYCIOLGSA-N 2 2 227.352 -0.407 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000623837363 343077103 /nfs/dbraw/zinc/07/71/03/343077103.db2.gz BDIJTKKLPMOZFI-GRYCIOLGSA-N 2 2 227.352 -0.407 20 0 BBADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000623837364 343076844 /nfs/dbraw/zinc/07/68/44/343076844.db2.gz BDIJTKKLPMOZFI-SDDRHHMPSA-N 2 2 227.352 -0.407 20 0 BBADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000623837364 343076843 /nfs/dbraw/zinc/07/68/43/343076843.db2.gz BDIJTKKLPMOZFI-SDDRHHMPSA-N 2 2 227.352 -0.407 20 0 BBADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000623837365 343077107 /nfs/dbraw/zinc/07/71/07/343077107.db2.gz BDIJTKKLPMOZFI-SRVKXCTJSA-N 2 2 227.352 -0.407 20 0 BBADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000623837365 343077106 /nfs/dbraw/zinc/07/71/06/343077106.db2.gz BDIJTKKLPMOZFI-SRVKXCTJSA-N 2 2 227.352 -0.407 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000623837366 343077001 /nfs/dbraw/zinc/07/70/01/343077001.db2.gz BDIJTKKLPMOZFI-WOPDTQHZSA-N 2 2 227.352 -0.407 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000623837366 343076999 /nfs/dbraw/zinc/07/69/99/343076999.db2.gz BDIJTKKLPMOZFI-WOPDTQHZSA-N 2 2 227.352 -0.407 20 0 BBADLP CC(C)[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623844117 343596907 /nfs/dbraw/zinc/59/69/07/343596907.db2.gz GXLGGDSSPPWNDF-UHFFFAOYSA-N 2 2 237.311 -0.773 20 0 BBADLP C[C@H](CNc1nc(N)[nH+]c(N)n1)Cn1cc[nH+]c1 ZINC000623872058 352066600 /nfs/dbraw/zinc/06/66/00/352066600.db2.gz UMHJTLVPYMWLLE-SSDOTTSWSA-N 2 2 248.294 -0.937 20 0 BBADLP C[C@@H](CNc1nc(N)[nH+]c(N)n1)Cn1cc[nH+]c1 ZINC000623872059 352066857 /nfs/dbraw/zinc/06/68/57/352066857.db2.gz UMHJTLVPYMWLLE-ZETCQYMHSA-N 2 2 248.294 -0.937 20 0 BBADLP Nc1nc(N2CC[NH+](CC3CC3)CC2)nc(N)[nH+]1 ZINC000623876492 371137102 /nfs/dbraw/zinc/13/71/02/371137102.db2.gz XFCGMFBKMUPQGG-UHFFFAOYSA-N 2 2 249.322 -0.771 20 0 BBADLP Nc1nc(N2CC[NH+](C3CCC3)CC2)nc(N)[nH+]1 ZINC000623970516 371206456 /nfs/dbraw/zinc/20/64/56/371206456.db2.gz RBXDVCMQYKBKRR-UHFFFAOYSA-N 2 2 249.322 -0.629 20 0 BBADLP Cc1[nH+]ccn1CCCNc1nc(N)nc(N)[nH+]1 ZINC000623991539 371224336 /nfs/dbraw/zinc/22/43/36/371224336.db2.gz KBSQUZWBPXXLHK-UHFFFAOYSA-N 2 2 248.294 -0.874 20 0 BBADLP Cc1[nH+]ccn1CCCNc1nc(N)[nH+]c(N)n1 ZINC000623991539 371224331 /nfs/dbraw/zinc/22/43/31/371224331.db2.gz KBSQUZWBPXXLHK-UHFFFAOYSA-N 2 2 248.294 -0.874 20 0 BBADLP C[C@H]1C[C@@H](Nc2nc(N)nc(N)[nH+]2)CC[N@H+]1C ZINC000623995278 370565353 /nfs/dbraw/zinc/56/53/53/370565353.db2.gz SPJPGGVAHIRCTC-BQBZGAKWSA-N 2 2 237.311 -0.987 20 0 BBADLP C[C@H]1C[C@@H](Nc2nc(N)nc(N)[nH+]2)CC[N@@H+]1C ZINC000623995278 370565348 /nfs/dbraw/zinc/56/53/48/370565348.db2.gz SPJPGGVAHIRCTC-BQBZGAKWSA-N 2 2 237.311 -0.987 20 0 BBADLP C[C@H]1C[C@H](Nc2nc(N)nc(N)[nH+]2)CC[N@H+]1C ZINC000623995279 370565203 /nfs/dbraw/zinc/56/52/03/370565203.db2.gz SPJPGGVAHIRCTC-NKWVEPMBSA-N 2 2 237.311 -0.987 20 0 BBADLP C[C@H]1C[C@H](Nc2nc(N)nc(N)[nH+]2)CC[N@@H+]1C ZINC000623995279 370565199 /nfs/dbraw/zinc/56/51/99/370565199.db2.gz SPJPGGVAHIRCTC-NKWVEPMBSA-N 2 2 237.311 -0.987 20 0 BBADLP C[C@@H]1C[C@H](Nc2nc(N)nc(N)[nH+]2)CC[N@H+]1C ZINC000623995280 370565689 /nfs/dbraw/zinc/56/56/89/370565689.db2.gz SPJPGGVAHIRCTC-RNFRBKRXSA-N 2 2 237.311 -0.987 20 0 BBADLP C[C@@H]1C[C@H](Nc2nc(N)nc(N)[nH+]2)CC[N@@H+]1C ZINC000623995280 370565685 /nfs/dbraw/zinc/56/56/85/370565685.db2.gz SPJPGGVAHIRCTC-RNFRBKRXSA-N 2 2 237.311 -0.987 20 0 BBADLP C[C@@H]1C[C@@H](Nc2nc(N)nc(N)[nH+]2)CC[N@H+]1C ZINC000623995281 370565897 /nfs/dbraw/zinc/56/58/97/370565897.db2.gz SPJPGGVAHIRCTC-RQJHMYQMSA-N 2 2 237.311 -0.987 20 0 BBADLP C[C@@H]1C[C@@H](Nc2nc(N)nc(N)[nH+]2)CC[N@@H+]1C ZINC000623995281 370565894 /nfs/dbraw/zinc/56/58/94/370565894.db2.gz SPJPGGVAHIRCTC-RQJHMYQMSA-N 2 2 237.311 -0.987 20 0 BBADLP CN(CCCn1cc[nH+]c1)c1nc(N)[nH+]c(N)n1 ZINC000624047675 371271670 /nfs/dbraw/zinc/27/16/70/371271670.db2.gz KRIKNRCLDAIQND-UHFFFAOYSA-N 2 2 248.294 -0.580 20 0 BBADLP CC[N@H+]1CCN(c2nc(N)[nH+]c(N)n2)C[C@H]1C ZINC000624061694 344272747 /nfs/dbraw/zinc/27/27/47/344272747.db2.gz GQLWNQPCJNTIKN-SSDOTTSWSA-N 2 2 237.311 -0.773 20 0 BBADLP CC[N@@H+]1CCN(c2nc(N)[nH+]c(N)n2)C[C@H]1C ZINC000624061694 344272746 /nfs/dbraw/zinc/27/27/46/344272746.db2.gz GQLWNQPCJNTIKN-SSDOTTSWSA-N 2 2 237.311 -0.773 20 0 BBADLP CC[N@H+]1CCN(c2nc(N)[nH+]c(N)n2)C[C@@H]1C ZINC000624061695 344272977 /nfs/dbraw/zinc/27/29/77/344272977.db2.gz GQLWNQPCJNTIKN-ZETCQYMHSA-N 2 2 237.311 -0.773 20 0 BBADLP CC[N@@H+]1CCN(c2nc(N)[nH+]c(N)n2)C[C@@H]1C ZINC000624061695 344272974 /nfs/dbraw/zinc/27/29/74/344272974.db2.gz GQLWNQPCJNTIKN-ZETCQYMHSA-N 2 2 237.311 -0.773 20 0 BBADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1nc(N)[nH+]c(N)n1 ZINC000624078427 371295175 /nfs/dbraw/zinc/29/51/75/371295175.db2.gz IEMHQELWFLIXOA-BQBZGAKWSA-N 2 2 237.311 -0.774 20 0 BBADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1nc(N)[nH+]c(N)n1 ZINC000624078428 371295160 /nfs/dbraw/zinc/29/51/60/371295160.db2.gz IEMHQELWFLIXOA-NKWVEPMBSA-N 2 2 237.311 -0.774 20 0 BBADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1nc(N)[nH+]c(N)n1 ZINC000624078429 371295833 /nfs/dbraw/zinc/29/58/33/371295833.db2.gz IEMHQELWFLIXOA-RNFRBKRXSA-N 2 2 237.311 -0.774 20 0 BBADLP C[C@@H]1CN(c2nc(N)[nH+]c(N)n2)[C@@H](C)C[N@@H+]1C ZINC000624078430 371296552 /nfs/dbraw/zinc/29/65/52/371296552.db2.gz IEMHQELWFLIXOA-RQJHMYQMSA-N 2 2 237.311 -0.774 20 0 BBADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624081111 371295658 /nfs/dbraw/zinc/29/56/58/371295658.db2.gz IBKUUQXYPMAGCS-BQBZGAKWSA-N 2 2 237.311 -0.774 20 0 BBADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624081112 371295895 /nfs/dbraw/zinc/29/58/95/371295895.db2.gz IBKUUQXYPMAGCS-NKWVEPMBSA-N 2 2 237.311 -0.774 20 0 BBADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624081113 371295212 /nfs/dbraw/zinc/29/52/12/371295212.db2.gz IBKUUQXYPMAGCS-RNFRBKRXSA-N 2 2 237.311 -0.774 20 0 BBADLP C[C@@H]1[C@H](C)N(c2nc(N)[nH+]c(N)n2)CC[N@@H+]1C ZINC000624081114 371295289 /nfs/dbraw/zinc/29/52/89/371295289.db2.gz IBKUUQXYPMAGCS-RQJHMYQMSA-N 2 2 237.311 -0.774 20 0 BBADLP Nc1nc(NCCCCn2cc[nH+]c2)nc(N)[nH+]1 ZINC000624084686 371297965 /nfs/dbraw/zinc/29/79/65/371297965.db2.gz HJJKZGFDMHFRKE-UHFFFAOYSA-N 2 2 248.294 -0.793 20 0 BBADLP CC[N@H+]1CCN(c2nc(N)[nH+]c(N)n2)[C@H](C)C1 ZINC000624211281 371398311 /nfs/dbraw/zinc/39/83/11/371398311.db2.gz JJSGGAKXFNIGHU-SSDOTTSWSA-N 2 2 237.311 -0.773 20 0 BBADLP CC[N@@H+]1CCN(c2nc(N)[nH+]c(N)n2)[C@H](C)C1 ZINC000624211281 371398307 /nfs/dbraw/zinc/39/83/07/371398307.db2.gz JJSGGAKXFNIGHU-SSDOTTSWSA-N 2 2 237.311 -0.773 20 0 BBADLP CC[N@H+]1CCN(c2nc(N)[nH+]c(N)n2)[C@@H](C)C1 ZINC000624211285 371397687 /nfs/dbraw/zinc/39/76/87/371397687.db2.gz JJSGGAKXFNIGHU-ZETCQYMHSA-N 2 2 237.311 -0.773 20 0 BBADLP CC[N@@H+]1CCN(c2nc(N)[nH+]c(N)n2)[C@@H](C)C1 ZINC000624211285 371397682 /nfs/dbraw/zinc/39/76/82/371397682.db2.gz JJSGGAKXFNIGHU-ZETCQYMHSA-N 2 2 237.311 -0.773 20 0 BBADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cn[nH]c2)CC1 ZINC000624217467 371405267 /nfs/dbraw/zinc/40/52/67/371405267.db2.gz UCFLYMNQQJLYCK-UHFFFAOYSA-N 2 2 237.307 -0.727 20 0 BBADLP C[C@H](CC(=O)N(C)C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624225822 371413717 /nfs/dbraw/zinc/41/37/17/371413717.db2.gz BZNWQXPHEQOSJC-GHMZBOCLSA-N 2 2 243.351 -0.491 20 0 BBADLP C[C@H](CC(=O)N(C)C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624225822 371413710 /nfs/dbraw/zinc/41/37/10/371413710.db2.gz BZNWQXPHEQOSJC-GHMZBOCLSA-N 2 2 243.351 -0.491 20 0 BBADLP C[C@@H](CC(=O)N(C)C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624225823 371413878 /nfs/dbraw/zinc/41/38/78/371413878.db2.gz BZNWQXPHEQOSJC-WDEREUQCSA-N 2 2 243.351 -0.491 20 0 BBADLP C[C@@H](CC(=O)N(C)C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624225823 371413874 /nfs/dbraw/zinc/41/38/74/371413874.db2.gz BZNWQXPHEQOSJC-WDEREUQCSA-N 2 2 243.351 -0.491 20 0 BBADLP C[C@@H](Cn1cccn1)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624230099 371419015 /nfs/dbraw/zinc/41/90/15/371419015.db2.gz NCUCEUGSYQTFPY-NWDGAFQWSA-N 2 2 238.335 -0.072 20 0 BBADLP C[C@@H](Cn1cccn1)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624230099 371419011 /nfs/dbraw/zinc/41/90/11/371419011.db2.gz NCUCEUGSYQTFPY-NWDGAFQWSA-N 2 2 238.335 -0.072 20 0 BBADLP C[C@H](Cn1cccn1)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624230100 371418561 /nfs/dbraw/zinc/41/85/61/371418561.db2.gz NCUCEUGSYQTFPY-VXGBXAGGSA-N 2 2 238.335 -0.072 20 0 BBADLP C[C@H](Cn1cccn1)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624230100 371418554 /nfs/dbraw/zinc/41/85/54/371418554.db2.gz NCUCEUGSYQTFPY-VXGBXAGGSA-N 2 2 238.335 -0.072 20 0 BBADLP O[C@@H]1CC[N@@H+](CC[NH2+]C2CCC(O)CC2)C1 ZINC000624230880 371418249 /nfs/dbraw/zinc/41/82/49/371418249.db2.gz JZYPXTGZPQXKSO-HTAVTVPLSA-N 2 2 228.336 -0.054 20 0 BBADLP O[C@@H]1CC[N@H+](CC[NH2+]C2CCC(O)CC2)C1 ZINC000624230880 371418245 /nfs/dbraw/zinc/41/82/45/371418245.db2.gz JZYPXTGZPQXKSO-HTAVTVPLSA-N 2 2 228.336 -0.054 20 0 BBADLP C[C@H](Cn1cncn1)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624231817 371420314 /nfs/dbraw/zinc/42/03/14/371420314.db2.gz LQTAYEQIYUDGJO-GHMZBOCLSA-N 2 2 239.323 -0.677 20 0 BBADLP C[C@H](Cn1cncn1)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624231817 371420311 /nfs/dbraw/zinc/42/03/11/371420311.db2.gz LQTAYEQIYUDGJO-GHMZBOCLSA-N 2 2 239.323 -0.677 20 0 BBADLP C[C@@H](Cn1cncn1)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624231818 371420277 /nfs/dbraw/zinc/42/02/77/371420277.db2.gz LQTAYEQIYUDGJO-WDEREUQCSA-N 2 2 239.323 -0.677 20 0 BBADLP C[C@@H](Cn1cncn1)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624231818 371420272 /nfs/dbraw/zinc/42/02/72/371420272.db2.gz LQTAYEQIYUDGJO-WDEREUQCSA-N 2 2 239.323 -0.677 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCOC[C@H]1O ZINC000624237053 371424932 /nfs/dbraw/zinc/42/49/32/371424932.db2.gz OOUCRGAPJHTOEH-CHWFTXMASA-N 2 2 214.309 -0.324 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCOC[C@H]1O ZINC000624237053 371424931 /nfs/dbraw/zinc/42/49/31/371424931.db2.gz OOUCRGAPJHTOEH-CHWFTXMASA-N 2 2 214.309 -0.324 20 0 BBADLP C[N@H+]1CC[C@@]2(CCN(c3nc(N)nc(N)[nH+]3)C2)C1 ZINC000624242517 371430378 /nfs/dbraw/zinc/43/03/78/371430378.db2.gz PXCRADSCJFPMQA-LLVKDONJSA-N 2 2 249.322 -0.771 20 0 BBADLP C[N@@H+]1CC[C@@]2(CCN(c3nc(N)nc(N)[nH+]3)C2)C1 ZINC000624242517 371430374 /nfs/dbraw/zinc/43/03/74/371430374.db2.gz PXCRADSCJFPMQA-LLVKDONJSA-N 2 2 249.322 -0.771 20 0 BBADLP C[N@H+]1CC[C@]2(CCN(c3nc(N)nc(N)[nH+]3)C2)C1 ZINC000624242518 371429772 /nfs/dbraw/zinc/42/97/72/371429772.db2.gz PXCRADSCJFPMQA-NSHDSACASA-N 2 2 249.322 -0.771 20 0 BBADLP C[N@@H+]1CC[C@]2(CCN(c3nc(N)nc(N)[nH+]3)C2)C1 ZINC000624242518 371429767 /nfs/dbraw/zinc/42/97/67/371429767.db2.gz PXCRADSCJFPMQA-NSHDSACASA-N 2 2 249.322 -0.771 20 0 BBADLP CC[C@@H]1C[N@@H+](C)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624246914 371432991 /nfs/dbraw/zinc/43/29/91/371432991.db2.gz GWBFMZVAMSVQHP-SSDOTTSWSA-N 2 2 237.311 -0.773 20 0 BBADLP CC[C@@H]1C[N@H+](C)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624246914 371432988 /nfs/dbraw/zinc/43/29/88/371432988.db2.gz GWBFMZVAMSVQHP-SSDOTTSWSA-N 2 2 237.311 -0.773 20 0 BBADLP CC[C@H]1C[N@@H+](C)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624246915 371432929 /nfs/dbraw/zinc/43/29/29/371432929.db2.gz GWBFMZVAMSVQHP-ZETCQYMHSA-N 2 2 237.311 -0.773 20 0 BBADLP CC[C@H]1C[N@H+](C)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624246915 371432924 /nfs/dbraw/zinc/43/29/24/371432924.db2.gz GWBFMZVAMSVQHP-ZETCQYMHSA-N 2 2 237.311 -0.773 20 0 BBADLP C[C@@H]1CN(c2nc(N)[nH+]c(N)n2)C[C@H](C)[N@@H+]1C ZINC000624246919 371432232 /nfs/dbraw/zinc/43/22/32/371432232.db2.gz HERJAXOQRQKBAY-KNVOCYPGSA-N 2 2 237.311 -0.774 20 0 BBADLP C[C@@H]1CN(c2nc(N)[nH+]c(N)n2)C[C@H](C)[N@H+]1C ZINC000624246919 371432227 /nfs/dbraw/zinc/43/22/27/371432227.db2.gz HERJAXOQRQKBAY-KNVOCYPGSA-N 2 2 237.311 -0.774 20 0 BBADLP C[C@H](CC(=O)N(C)C)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624332902 343716714 /nfs/dbraw/zinc/71/67/14/343716714.db2.gz BZNWQXPHEQOSJC-MNOVXSKESA-N 2 2 243.351 -0.491 20 0 BBADLP C[C@H](CC(=O)N(C)C)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624332902 343716712 /nfs/dbraw/zinc/71/67/12/343716712.db2.gz BZNWQXPHEQOSJC-MNOVXSKESA-N 2 2 243.351 -0.491 20 0 BBADLP C[C@@H](CC(=O)N(C)C)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624332903 343716601 /nfs/dbraw/zinc/71/66/01/343716601.db2.gz BZNWQXPHEQOSJC-QWRGUYRKSA-N 2 2 243.351 -0.491 20 0 BBADLP C[C@@H](CC(=O)N(C)C)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624332903 343716600 /nfs/dbraw/zinc/71/66/00/343716600.db2.gz BZNWQXPHEQOSJC-QWRGUYRKSA-N 2 2 243.351 -0.491 20 0 BBADLP O[C@H]1CC[N@@H+](CC[NH2+]C2CCC(O)CC2)C1 ZINC000624337476 371486517 /nfs/dbraw/zinc/48/65/17/371486517.db2.gz JZYPXTGZPQXKSO-MCIGGMRASA-N 2 2 228.336 -0.054 20 0 BBADLP O[C@H]1CC[N@H+](CC[NH2+]C2CCC(O)CC2)C1 ZINC000624337476 371486515 /nfs/dbraw/zinc/48/65/15/371486515.db2.gz JZYPXTGZPQXKSO-MCIGGMRASA-N 2 2 228.336 -0.054 20 0 BBADLP C[C@H](Cn1cccn1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624337635 371488539 /nfs/dbraw/zinc/48/85/39/371488539.db2.gz NCUCEUGSYQTFPY-NEPJUHHUSA-N 2 2 238.335 -0.072 20 0 BBADLP C[C@H](Cn1cccn1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624337635 371488534 /nfs/dbraw/zinc/48/85/34/371488534.db2.gz NCUCEUGSYQTFPY-NEPJUHHUSA-N 2 2 238.335 -0.072 20 0 BBADLP C[C@@H](Cn1cccn1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624337636 371487855 /nfs/dbraw/zinc/48/78/55/371487855.db2.gz NCUCEUGSYQTFPY-RYUDHWBXSA-N 2 2 238.335 -0.072 20 0 BBADLP C[C@@H](Cn1cccn1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624337636 371487852 /nfs/dbraw/zinc/48/78/52/371487852.db2.gz NCUCEUGSYQTFPY-RYUDHWBXSA-N 2 2 238.335 -0.072 20 0 BBADLP C[C@H](Cn1cncn1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624339082 371488209 /nfs/dbraw/zinc/48/82/09/371488209.db2.gz LQTAYEQIYUDGJO-MNOVXSKESA-N 2 2 239.323 -0.677 20 0 BBADLP C[C@H](Cn1cncn1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624339082 371488203 /nfs/dbraw/zinc/48/82/03/371488203.db2.gz LQTAYEQIYUDGJO-MNOVXSKESA-N 2 2 239.323 -0.677 20 0 BBADLP C[C@@H](Cn1cncn1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624339083 371488068 /nfs/dbraw/zinc/48/80/68/371488068.db2.gz LQTAYEQIYUDGJO-QWRGUYRKSA-N 2 2 239.323 -0.677 20 0 BBADLP C[C@@H](Cn1cncn1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624339083 371488062 /nfs/dbraw/zinc/48/80/62/371488062.db2.gz LQTAYEQIYUDGJO-QWRGUYRKSA-N 2 2 239.323 -0.677 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1C(N)=O ZINC000625869698 344242715 /nfs/dbraw/zinc/24/27/15/344242715.db2.gz DCEDJOACMIQYKP-UWVGGRQHSA-N 2 2 229.324 -0.751 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000625869698 344242712 /nfs/dbraw/zinc/24/27/12/344242712.db2.gz DCEDJOACMIQYKP-UWVGGRQHSA-N 2 2 229.324 -0.751 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C(N)=O ZINC000625869698 344242710 /nfs/dbraw/zinc/24/27/10/344242710.db2.gz DCEDJOACMIQYKP-UWVGGRQHSA-N 2 2 229.324 -0.751 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C(N)=O ZINC000625869698 344242708 /nfs/dbraw/zinc/24/27/08/344242708.db2.gz DCEDJOACMIQYKP-UWVGGRQHSA-N 2 2 229.324 -0.751 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1C(N)=O ZINC000625869699 344243023 /nfs/dbraw/zinc/24/30/23/344243023.db2.gz DCEDJOACMIQYKP-ZJUUUORDSA-N 2 2 229.324 -0.751 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000625869699 344243022 /nfs/dbraw/zinc/24/30/22/344243022.db2.gz DCEDJOACMIQYKP-ZJUUUORDSA-N 2 2 229.324 -0.751 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C(N)=O ZINC000625869699 344243020 /nfs/dbraw/zinc/24/30/20/344243020.db2.gz DCEDJOACMIQYKP-ZJUUUORDSA-N 2 2 229.324 -0.751 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C(N)=O ZINC000625869699 344243019 /nfs/dbraw/zinc/24/30/19/344243019.db2.gz DCEDJOACMIQYKP-ZJUUUORDSA-N 2 2 229.324 -0.751 20 0 BBADLP O=C(NCCCn1cc[nH+]c1)N[C@@H]1CC[NH2+]C1 ZINC000626917435 360506210 /nfs/dbraw/zinc/50/62/10/360506210.db2.gz CWLHWGSNZRHXBN-SNVBAGLBSA-N 2 2 237.307 -0.066 20 0 BBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000626922841 360510201 /nfs/dbraw/zinc/51/02/01/360510201.db2.gz GGSQQZKPXXOIHV-VHSXEESVSA-N 2 2 237.307 -0.067 20 0 BBADLP O=C(NCCn1cc[nH+]c1)N[C@@H]1CC[NH2+]C1 ZINC000626923012 360511114 /nfs/dbraw/zinc/51/11/14/360511114.db2.gz JZWRAAYXBJCEHL-SECBINFHSA-N 2 2 223.280 -0.456 20 0 BBADLP CCN(CC[NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000626923717 360511267 /nfs/dbraw/zinc/51/12/67/360511267.db2.gz ZPRJEOYPWQNWEB-UHFFFAOYSA-N 2 2 225.296 -0.127 20 0 BBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000626940245 360522056 /nfs/dbraw/zinc/52/20/56/360522056.db2.gz WPOFTPVQAPZGFA-NXEZZACHSA-N 2 2 237.307 -0.067 20 0 BBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000626940246 360522317 /nfs/dbraw/zinc/52/23/17/360522317.db2.gz WPOFTPVQAPZGFA-VHSXEESVSA-N 2 2 237.307 -0.067 20 0 BBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1[nH+]ccn1C ZINC000626968067 363067328 /nfs/dbraw/zinc/06/73/28/363067328.db2.gz AXIXMKRTQPNGFL-DTWKUNHWSA-N 2 2 237.307 -0.030 20 0 BBADLP CCN(CC[NH3+])C(=O)NCc1[nH+]ccn1C ZINC000626968348 363069439 /nfs/dbraw/zinc/06/94/39/363069439.db2.gz GFVLYLFINSUTQK-UHFFFAOYSA-N 2 2 225.296 -0.090 20 0 BBADLP O=C(N[C@@H]1CC[NH2+]C1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000627017071 363115254 /nfs/dbraw/zinc/11/52/54/363115254.db2.gz ZGMRHCKZLTUSMU-NXEZZACHSA-N 2 2 249.318 -0.141 20 0 BBADLP O=C(N[C@@H]1CC[NH2+]C1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000627017072 363114909 /nfs/dbraw/zinc/11/49/09/363114909.db2.gz ZGMRHCKZLTUSMU-VHSXEESVSA-N 2 2 249.318 -0.141 20 0 BBADLP O=C(N[C@@H]1CC[NH2+]C1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000627040880 363153053 /nfs/dbraw/zinc/15/30/53/363153053.db2.gz XMVXOURBVZRLNA-DTWKUNHWSA-N 2 2 249.318 -0.072 20 0 BBADLP O=C(N[C@@H]1CC[NH2+]C1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000627040880 363153050 /nfs/dbraw/zinc/15/30/50/363153050.db2.gz XMVXOURBVZRLNA-DTWKUNHWSA-N 2 2 249.318 -0.072 20 0 BBADLP O=C(N[C@@H]1CC[NH2+]C1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000627040881 363152889 /nfs/dbraw/zinc/15/28/89/363152889.db2.gz XMVXOURBVZRLNA-RKDXNWHRSA-N 2 2 249.318 -0.072 20 0 BBADLP O=C(N[C@@H]1CC[NH2+]C1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000627040881 363152882 /nfs/dbraw/zinc/15/28/82/363152882.db2.gz XMVXOURBVZRLNA-RKDXNWHRSA-N 2 2 249.318 -0.072 20 0 BBADLP Cn1c[nH+]c(CCNC(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000627058523 363175699 /nfs/dbraw/zinc/17/56/99/363175699.db2.gz YWHRGYAPYMGDGZ-SECBINFHSA-N 2 2 237.307 -0.376 20 0 BBADLP CCN(CC[NH3+])C(=O)NCCc1cn(C)c[nH+]1 ZINC000627058546 363176044 /nfs/dbraw/zinc/17/60/44/363176044.db2.gz ZIFMDKNTWJCDDT-UHFFFAOYSA-N 2 2 239.323 -0.047 20 0 BBADLP C[NH2+]CCCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627062293 363179745 /nfs/dbraw/zinc/17/97/45/363179745.db2.gz CEYMYSNAAANLAF-JTQLQIEISA-N 2 2 244.339 -0.774 20 0 BBADLP C[NH2+]CCCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627062293 363179740 /nfs/dbraw/zinc/17/97/40/363179740.db2.gz CEYMYSNAAANLAF-JTQLQIEISA-N 2 2 244.339 -0.774 20 0 BBADLP C[NH2+]CCCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627062294 363179711 /nfs/dbraw/zinc/17/97/11/363179711.db2.gz CEYMYSNAAANLAF-SNVBAGLBSA-N 2 2 244.339 -0.774 20 0 BBADLP C[NH2+]CCCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627062294 363179706 /nfs/dbraw/zinc/17/97/06/363179706.db2.gz CEYMYSNAAANLAF-SNVBAGLBSA-N 2 2 244.339 -0.774 20 0 BBADLP CC[NH2+]CCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627071752 363201890 /nfs/dbraw/zinc/20/18/90/363201890.db2.gz JHLHZRMUOAPZFQ-JTQLQIEISA-N 2 2 244.339 -0.774 20 0 BBADLP CC[NH2+]CCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627071752 363201883 /nfs/dbraw/zinc/20/18/83/363201883.db2.gz JHLHZRMUOAPZFQ-JTQLQIEISA-N 2 2 244.339 -0.774 20 0 BBADLP CC[NH2+]CCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627071753 363202088 /nfs/dbraw/zinc/20/20/88/363202088.db2.gz JHLHZRMUOAPZFQ-SNVBAGLBSA-N 2 2 244.339 -0.774 20 0 BBADLP CC[NH2+]CCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627071753 363202086 /nfs/dbraw/zinc/20/20/86/363202086.db2.gz JHLHZRMUOAPZFQ-SNVBAGLBSA-N 2 2 244.339 -0.774 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCC(C)(C)[NH3+] ZINC000627078909 363223147 /nfs/dbraw/zinc/22/31/47/363223147.db2.gz VJCVAQBNUTUKCM-SECBINFHSA-N 2 2 244.339 -0.647 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCC(C)(C)[NH3+] ZINC000627078909 363223140 /nfs/dbraw/zinc/22/31/40/363223140.db2.gz VJCVAQBNUTUKCM-SECBINFHSA-N 2 2 244.339 -0.647 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCC(C)(C)[NH3+] ZINC000627078911 363223713 /nfs/dbraw/zinc/22/37/13/363223713.db2.gz VJCVAQBNUTUKCM-VIFPVBQESA-N 2 2 244.339 -0.647 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC(C)(C)[NH3+] ZINC000627078911 363223710 /nfs/dbraw/zinc/22/37/10/363223710.db2.gz VJCVAQBNUTUKCM-VIFPVBQESA-N 2 2 244.339 -0.647 20 0 BBADLP C[C@H](C[NH3+])CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627081403 363226816 /nfs/dbraw/zinc/22/68/16/363226816.db2.gz OTYCLQVREFMMGD-NXEZZACHSA-N 2 2 244.339 -0.789 20 0 BBADLP C[C@H](C[NH3+])CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627081403 363226812 /nfs/dbraw/zinc/22/68/12/363226812.db2.gz OTYCLQVREFMMGD-NXEZZACHSA-N 2 2 244.339 -0.789 20 0 BBADLP C[C@@H](C[NH3+])CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627081409 363226448 /nfs/dbraw/zinc/22/64/48/363226448.db2.gz OTYCLQVREFMMGD-UWVGGRQHSA-N 2 2 244.339 -0.789 20 0 BBADLP C[C@@H](C[NH3+])CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627081409 363226443 /nfs/dbraw/zinc/22/64/43/363226443.db2.gz OTYCLQVREFMMGD-UWVGGRQHSA-N 2 2 244.339 -0.789 20 0 BBADLP C[C@@H](C[NH3+])CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627081412 363226844 /nfs/dbraw/zinc/22/68/44/363226844.db2.gz OTYCLQVREFMMGD-VHSXEESVSA-N 2 2 244.339 -0.789 20 0 BBADLP C[C@@H](C[NH3+])CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627081412 363226839 /nfs/dbraw/zinc/22/68/39/363226839.db2.gz OTYCLQVREFMMGD-VHSXEESVSA-N 2 2 244.339 -0.789 20 0 BBADLP C[C@H](C[NH3+])CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627081414 363226508 /nfs/dbraw/zinc/22/65/08/363226508.db2.gz OTYCLQVREFMMGD-ZJUUUORDSA-N 2 2 244.339 -0.789 20 0 BBADLP C[C@H](C[NH3+])CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627081414 363226503 /nfs/dbraw/zinc/22/65/03/363226503.db2.gz OTYCLQVREFMMGD-ZJUUUORDSA-N 2 2 244.339 -0.789 20 0 BBADLP C[C@H](CC[NH3+])NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627082057 363231797 /nfs/dbraw/zinc/23/17/97/363231797.db2.gz AYIGCSAWCHKQCN-NXEZZACHSA-N 2 2 244.339 -0.647 20 0 BBADLP C[C@H](CC[NH3+])NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627082057 363231794 /nfs/dbraw/zinc/23/17/94/363231794.db2.gz AYIGCSAWCHKQCN-NXEZZACHSA-N 2 2 244.339 -0.647 20 0 BBADLP C[C@@H](CC[NH3+])NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627082058 363231639 /nfs/dbraw/zinc/23/16/39/363231639.db2.gz AYIGCSAWCHKQCN-UWVGGRQHSA-N 2 2 244.339 -0.647 20 0 BBADLP C[C@@H](CC[NH3+])NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627082058 363231634 /nfs/dbraw/zinc/23/16/34/363231634.db2.gz AYIGCSAWCHKQCN-UWVGGRQHSA-N 2 2 244.339 -0.647 20 0 BBADLP C[C@@H](CC[NH3+])NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627082059 363231270 /nfs/dbraw/zinc/23/12/70/363231270.db2.gz AYIGCSAWCHKQCN-VHSXEESVSA-N 2 2 244.339 -0.647 20 0 BBADLP C[C@@H](CC[NH3+])NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627082059 363231266 /nfs/dbraw/zinc/23/12/66/363231266.db2.gz AYIGCSAWCHKQCN-VHSXEESVSA-N 2 2 244.339 -0.647 20 0 BBADLP C[C@H](CC[NH3+])NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627082060 363231476 /nfs/dbraw/zinc/23/14/76/363231476.db2.gz AYIGCSAWCHKQCN-ZJUUUORDSA-N 2 2 244.339 -0.647 20 0 BBADLP C[C@H](CC[NH3+])NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627082060 363231471 /nfs/dbraw/zinc/23/14/71/363231471.db2.gz AYIGCSAWCHKQCN-ZJUUUORDSA-N 2 2 244.339 -0.647 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC/C=C\C[NH3+] ZINC000627093814 363250868 /nfs/dbraw/zinc/25/08/68/363250868.db2.gz PUWOCQQIPUYJSK-MXQLGCADSA-N 2 2 242.323 -0.869 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC/C=C\C[NH3+] ZINC000627093814 363250865 /nfs/dbraw/zinc/25/08/65/363250865.db2.gz PUWOCQQIPUYJSK-MXQLGCADSA-N 2 2 242.323 -0.869 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC/C=C/C[NH3+] ZINC000627093816 363250925 /nfs/dbraw/zinc/25/09/25/363250925.db2.gz PUWOCQQIPUYJSK-PBKGFPTLSA-N 2 2 242.323 -0.869 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC/C=C/C[NH3+] ZINC000627093816 363250923 /nfs/dbraw/zinc/25/09/23/363250923.db2.gz PUWOCQQIPUYJSK-PBKGFPTLSA-N 2 2 242.323 -0.869 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC/C=C/C[NH3+] ZINC000627093818 363250890 /nfs/dbraw/zinc/25/08/90/363250890.db2.gz PUWOCQQIPUYJSK-VMZHVLLKSA-N 2 2 242.323 -0.869 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC/C=C/C[NH3+] ZINC000627093818 363250887 /nfs/dbraw/zinc/25/08/87/363250887.db2.gz PUWOCQQIPUYJSK-VMZHVLLKSA-N 2 2 242.323 -0.869 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC/C=C\C[NH3+] ZINC000627093819 363250618 /nfs/dbraw/zinc/25/06/18/363250618.db2.gz PUWOCQQIPUYJSK-ZMWSMAPVSA-N 2 2 242.323 -0.869 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC/C=C\C[NH3+] ZINC000627093819 363250616 /nfs/dbraw/zinc/25/06/16/363250616.db2.gz PUWOCQQIPUYJSK-ZMWSMAPVSA-N 2 2 242.323 -0.869 20 0 BBADLP C[C@@H](NC(=O)NC[C@H]1COCC[N@H+]1C)[C@H](C)[NH3+] ZINC000627096833 363257027 /nfs/dbraw/zinc/25/70/27/363257027.db2.gz FCGKYFVTQGMOCI-AEJSXWLSSA-N 2 2 244.339 -0.648 20 0 BBADLP C[C@@H](NC(=O)NC[C@H]1COCC[N@@H+]1C)[C@H](C)[NH3+] ZINC000627096833 363257024 /nfs/dbraw/zinc/25/70/24/363257024.db2.gz FCGKYFVTQGMOCI-AEJSXWLSSA-N 2 2 244.339 -0.648 20 0 BBADLP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627096836 363257272 /nfs/dbraw/zinc/25/72/72/363257272.db2.gz FCGKYFVTQGMOCI-GUBZILKMSA-N 2 2 244.339 -0.648 20 0 BBADLP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627096836 363257267 /nfs/dbraw/zinc/25/72/67/363257267.db2.gz FCGKYFVTQGMOCI-GUBZILKMSA-N 2 2 244.339 -0.648 20 0 BBADLP C[C@@H](NC(=O)NC[C@@H]1COCC[N@H+]1C)[C@H](C)[NH3+] ZINC000627096838 363257049 /nfs/dbraw/zinc/25/70/49/363257049.db2.gz FCGKYFVTQGMOCI-IVZWLZJFSA-N 2 2 244.339 -0.648 20 0 BBADLP C[C@@H](NC(=O)NC[C@@H]1COCC[N@@H+]1C)[C@H](C)[NH3+] ZINC000627096838 363257041 /nfs/dbraw/zinc/25/70/41/363257041.db2.gz FCGKYFVTQGMOCI-IVZWLZJFSA-N 2 2 244.339 -0.648 20 0 BBADLP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627096839 363256583 /nfs/dbraw/zinc/25/65/83/363256583.db2.gz FCGKYFVTQGMOCI-LPEHRKFASA-N 2 2 244.339 -0.648 20 0 BBADLP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627096839 363256582 /nfs/dbraw/zinc/25/65/82/363256582.db2.gz FCGKYFVTQGMOCI-LPEHRKFASA-N 2 2 244.339 -0.648 20 0 BBADLP CC[C@@H]([NH3+])CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627098329 363259483 /nfs/dbraw/zinc/25/94/83/363259483.db2.gz SPMPUDVMARKRLG-NXEZZACHSA-N 2 2 244.339 -0.647 20 0 BBADLP CC[C@@H]([NH3+])CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627098329 363259479 /nfs/dbraw/zinc/25/94/79/363259479.db2.gz SPMPUDVMARKRLG-NXEZZACHSA-N 2 2 244.339 -0.647 20 0 BBADLP CC[C@H]([NH3+])CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627098330 363259459 /nfs/dbraw/zinc/25/94/59/363259459.db2.gz SPMPUDVMARKRLG-UWVGGRQHSA-N 2 2 244.339 -0.647 20 0 BBADLP CC[C@H]([NH3+])CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627098330 363259453 /nfs/dbraw/zinc/25/94/53/363259453.db2.gz SPMPUDVMARKRLG-UWVGGRQHSA-N 2 2 244.339 -0.647 20 0 BBADLP CC[C@H]([NH3+])CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627098331 363259348 /nfs/dbraw/zinc/25/93/48/363259348.db2.gz SPMPUDVMARKRLG-VHSXEESVSA-N 2 2 244.339 -0.647 20 0 BBADLP CC[C@H]([NH3+])CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627098331 363259344 /nfs/dbraw/zinc/25/93/44/363259344.db2.gz SPMPUDVMARKRLG-VHSXEESVSA-N 2 2 244.339 -0.647 20 0 BBADLP CC[C@@H]([NH3+])CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627098332 363259142 /nfs/dbraw/zinc/25/91/42/363259142.db2.gz SPMPUDVMARKRLG-ZJUUUORDSA-N 2 2 244.339 -0.647 20 0 BBADLP CC[C@@H]([NH3+])CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627098332 363259136 /nfs/dbraw/zinc/25/91/36/363259136.db2.gz SPMPUDVMARKRLG-ZJUUUORDSA-N 2 2 244.339 -0.647 20 0 BBADLP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627119391 363288530 /nfs/dbraw/zinc/28/85/30/363288530.db2.gz NJKRNXFYZSRFGQ-NXEZZACHSA-N 2 2 244.339 -0.776 20 0 BBADLP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627119391 363288527 /nfs/dbraw/zinc/28/85/27/363288527.db2.gz NJKRNXFYZSRFGQ-NXEZZACHSA-N 2 2 244.339 -0.776 20 0 BBADLP C[NH2+]C[C@H](C)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627119392 363288305 /nfs/dbraw/zinc/28/83/05/363288305.db2.gz NJKRNXFYZSRFGQ-UWVGGRQHSA-N 2 2 244.339 -0.776 20 0 BBADLP C[NH2+]C[C@H](C)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627119392 363288303 /nfs/dbraw/zinc/28/83/03/363288303.db2.gz NJKRNXFYZSRFGQ-UWVGGRQHSA-N 2 2 244.339 -0.776 20 0 BBADLP C[NH2+]C[C@H](C)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627119393 363288503 /nfs/dbraw/zinc/28/85/03/363288503.db2.gz NJKRNXFYZSRFGQ-VHSXEESVSA-N 2 2 244.339 -0.776 20 0 BBADLP C[NH2+]C[C@H](C)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627119393 363288497 /nfs/dbraw/zinc/28/84/97/363288497.db2.gz NJKRNXFYZSRFGQ-VHSXEESVSA-N 2 2 244.339 -0.776 20 0 BBADLP C[NH2+]C[C@@H](C)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627119394 363288276 /nfs/dbraw/zinc/28/82/76/363288276.db2.gz NJKRNXFYZSRFGQ-ZJUUUORDSA-N 2 2 244.339 -0.776 20 0 BBADLP C[NH2+]C[C@@H](C)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627119394 363288268 /nfs/dbraw/zinc/28/82/68/363288268.db2.gz NJKRNXFYZSRFGQ-ZJUUUORDSA-N 2 2 244.339 -0.776 20 0 BBADLP CN(CCC[NH3+])C(=O)NC[C@H]1COCC[N@H+]1C ZINC000627182915 363433992 /nfs/dbraw/zinc/43/39/92/363433992.db2.gz FJNAHECTCDXRLU-JTQLQIEISA-N 2 2 244.339 -0.693 20 0 BBADLP CN(CCC[NH3+])C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627182915 363433985 /nfs/dbraw/zinc/43/39/85/363433985.db2.gz FJNAHECTCDXRLU-JTQLQIEISA-N 2 2 244.339 -0.693 20 0 BBADLP CN(CCC[NH3+])C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627182916 363434895 /nfs/dbraw/zinc/43/48/95/363434895.db2.gz FJNAHECTCDXRLU-SNVBAGLBSA-N 2 2 244.339 -0.693 20 0 BBADLP CN(CCC[NH3+])C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627182916 363434893 /nfs/dbraw/zinc/43/48/93/363434893.db2.gz FJNAHECTCDXRLU-SNVBAGLBSA-N 2 2 244.339 -0.693 20 0 BBADLP CCN(CC[NH3+])C(=O)NC[C@H]1COCC[N@H+]1C ZINC000627183168 363434422 /nfs/dbraw/zinc/43/44/22/363434422.db2.gz OQIUHCKCKJYSPI-JTQLQIEISA-N 2 2 244.339 -0.693 20 0 BBADLP CCN(CC[NH3+])C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627183168 363434416 /nfs/dbraw/zinc/43/44/16/363434416.db2.gz OQIUHCKCKJYSPI-JTQLQIEISA-N 2 2 244.339 -0.693 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000627183169 363436189 /nfs/dbraw/zinc/43/61/89/363436189.db2.gz HRTXNIHCYGAMRR-NXEZZACHSA-N 2 2 242.323 -0.940 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000627183169 363436183 /nfs/dbraw/zinc/43/61/83/363436183.db2.gz HRTXNIHCYGAMRR-NXEZZACHSA-N 2 2 242.323 -0.940 20 0 BBADLP CCN(CC[NH3+])C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627183170 363435957 /nfs/dbraw/zinc/43/59/57/363435957.db2.gz OQIUHCKCKJYSPI-SNVBAGLBSA-N 2 2 244.339 -0.693 20 0 BBADLP CCN(CC[NH3+])C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627183170 363435953 /nfs/dbraw/zinc/43/59/53/363435953.db2.gz OQIUHCKCKJYSPI-SNVBAGLBSA-N 2 2 244.339 -0.693 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@H]([NH3+])C1 ZINC000627183174 363436165 /nfs/dbraw/zinc/43/61/65/363436165.db2.gz HRTXNIHCYGAMRR-UWVGGRQHSA-N 2 2 242.323 -0.940 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@H]([NH3+])C1 ZINC000627183174 363436161 /nfs/dbraw/zinc/43/61/61/363436161.db2.gz HRTXNIHCYGAMRR-UWVGGRQHSA-N 2 2 242.323 -0.940 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[C@H]([NH3+])C1 ZINC000627183176 363436152 /nfs/dbraw/zinc/43/61/52/363436152.db2.gz HRTXNIHCYGAMRR-VHSXEESVSA-N 2 2 242.323 -0.940 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[C@H]([NH3+])C1 ZINC000627183176 363436148 /nfs/dbraw/zinc/43/61/48/363436148.db2.gz HRTXNIHCYGAMRR-VHSXEESVSA-N 2 2 242.323 -0.940 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000627183178 363436403 /nfs/dbraw/zinc/43/64/03/363436403.db2.gz HRTXNIHCYGAMRR-ZJUUUORDSA-N 2 2 242.323 -0.940 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000627183178 363436400 /nfs/dbraw/zinc/43/64/00/363436400.db2.gz HRTXNIHCYGAMRR-ZJUUUORDSA-N 2 2 242.323 -0.940 20 0 BBADLP C[C@H](C[NH3+])N(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627183773 363435691 /nfs/dbraw/zinc/43/56/91/363435691.db2.gz MWMOYCUCQFOSBR-NXEZZACHSA-N 2 2 244.339 -0.694 20 0 BBADLP C[C@H](C[NH3+])N(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627183773 363435685 /nfs/dbraw/zinc/43/56/85/363435685.db2.gz MWMOYCUCQFOSBR-NXEZZACHSA-N 2 2 244.339 -0.694 20 0 BBADLP C[C@@H](C[NH3+])N(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000627183774 363436118 /nfs/dbraw/zinc/43/61/18/363436118.db2.gz MWMOYCUCQFOSBR-UWVGGRQHSA-N 2 2 244.339 -0.694 20 0 BBADLP C[C@@H](C[NH3+])N(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627183774 363436112 /nfs/dbraw/zinc/43/61/12/363436112.db2.gz MWMOYCUCQFOSBR-UWVGGRQHSA-N 2 2 244.339 -0.694 20 0 BBADLP C[C@@H](C[NH3+])N(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627183775 363435755 /nfs/dbraw/zinc/43/57/55/363435755.db2.gz MWMOYCUCQFOSBR-VHSXEESVSA-N 2 2 244.339 -0.694 20 0 BBADLP C[C@@H](C[NH3+])N(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627183775 363435747 /nfs/dbraw/zinc/43/57/47/363435747.db2.gz MWMOYCUCQFOSBR-VHSXEESVSA-N 2 2 244.339 -0.694 20 0 BBADLP C[C@H](C[NH3+])N(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000627183776 363435788 /nfs/dbraw/zinc/43/57/88/363435788.db2.gz MWMOYCUCQFOSBR-ZJUUUORDSA-N 2 2 244.339 -0.694 20 0 BBADLP C[C@H](C[NH3+])N(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627183776 363435787 /nfs/dbraw/zinc/43/57/87/363435787.db2.gz MWMOYCUCQFOSBR-ZJUUUORDSA-N 2 2 244.339 -0.694 20 0 BBADLP C[C@H]([NH3+])CCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627184416 363436592 /nfs/dbraw/zinc/43/65/92/363436592.db2.gz XIGITGOOZXQYGT-UWVGGRQHSA-N 2 2 244.339 -0.647 20 0 BBADLP C[C@H]([NH3+])CCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627184416 363436584 /nfs/dbraw/zinc/43/65/84/363436584.db2.gz XIGITGOOZXQYGT-UWVGGRQHSA-N 2 2 244.339 -0.647 20 0 BBADLP C[C@H]([NH3+])CCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627184417 363437411 /nfs/dbraw/zinc/43/74/11/363437411.db2.gz XIGITGOOZXQYGT-VHSXEESVSA-N 2 2 244.339 -0.647 20 0 BBADLP C[C@H]([NH3+])CCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627184417 363437406 /nfs/dbraw/zinc/43/74/06/363437406.db2.gz XIGITGOOZXQYGT-VHSXEESVSA-N 2 2 244.339 -0.647 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC(C)(C)C[NH3+] ZINC000627184477 363436769 /nfs/dbraw/zinc/43/67/69/363436769.db2.gz YPNHQAUQMCVGPG-SECBINFHSA-N 2 2 244.339 -0.647 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC(C)(C)C[NH3+] ZINC000627184477 363436763 /nfs/dbraw/zinc/43/67/63/363436763.db2.gz YPNHQAUQMCVGPG-SECBINFHSA-N 2 2 244.339 -0.647 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC(C)(C)C[NH3+] ZINC000627184479 363437567 /nfs/dbraw/zinc/43/75/67/363437567.db2.gz YPNHQAUQMCVGPG-VIFPVBQESA-N 2 2 244.339 -0.647 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC(C)(C)C[NH3+] ZINC000627184479 363437564 /nfs/dbraw/zinc/43/75/64/363437564.db2.gz YPNHQAUQMCVGPG-VIFPVBQESA-N 2 2 244.339 -0.647 20 0 BBADLP C/C=C/CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000627221246 363518813 /nfs/dbraw/zinc/51/88/13/363518813.db2.gz NEHMXIQLGKJNLD-FSIBCCDJSA-N 2 2 226.324 -0.153 20 0 BBADLP C/C=C/CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000627221246 363518810 /nfs/dbraw/zinc/51/88/10/363518810.db2.gz NEHMXIQLGKJNLD-FSIBCCDJSA-N 2 2 226.324 -0.153 20 0 BBADLP C/C=C/CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000627221247 363519127 /nfs/dbraw/zinc/51/91/27/363519127.db2.gz NEHMXIQLGKJNLD-HMDXOVGESA-N 2 2 226.324 -0.153 20 0 BBADLP C/C=C/CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000627221247 363519121 /nfs/dbraw/zinc/51/91/21/363519121.db2.gz NEHMXIQLGKJNLD-HMDXOVGESA-N 2 2 226.324 -0.153 20 0 BBADLP C/C=C\CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000627221248 363519298 /nfs/dbraw/zinc/51/92/98/363519298.db2.gz NEHMXIQLGKJNLD-UMBAGQNISA-N 2 2 226.324 -0.153 20 0 BBADLP C/C=C\CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000627221248 363519294 /nfs/dbraw/zinc/51/92/94/363519294.db2.gz NEHMXIQLGKJNLD-UMBAGQNISA-N 2 2 226.324 -0.153 20 0 BBADLP C/C=C\CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000627221249 363518980 /nfs/dbraw/zinc/51/89/80/363518980.db2.gz NEHMXIQLGKJNLD-XOULXFPDSA-N 2 2 226.324 -0.153 20 0 BBADLP C/C=C\CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000627221249 363518976 /nfs/dbraw/zinc/51/89/76/363518976.db2.gz NEHMXIQLGKJNLD-XOULXFPDSA-N 2 2 226.324 -0.153 20 0 BBADLP C[C@@H]1C[C@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000627236833 363731603 /nfs/dbraw/zinc/73/16/03/363731603.db2.gz SDGKQKBJNCREKS-KXUCPTDWSA-N 2 2 226.324 -0.321 20 0 BBADLP C[C@@H]1C[C@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000627236833 363731600 /nfs/dbraw/zinc/73/16/00/363731600.db2.gz SDGKQKBJNCREKS-KXUCPTDWSA-N 2 2 226.324 -0.321 20 0 BBADLP C[C@@H]1C[C@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000627236834 363731522 /nfs/dbraw/zinc/73/15/22/363731522.db2.gz SDGKQKBJNCREKS-OPRDCNLKSA-N 2 2 226.324 -0.321 20 0 BBADLP C[C@@H]1C[C@H]1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000627236834 363731520 /nfs/dbraw/zinc/73/15/20/363731520.db2.gz SDGKQKBJNCREKS-OPRDCNLKSA-N 2 2 226.324 -0.321 20 0 BBADLP CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627250145 363863900 /nfs/dbraw/zinc/86/39/00/363863900.db2.gz XXZAJYVZEKXUHM-SECBINFHSA-N 2 2 237.307 -0.077 20 0 BBADLP O=C(N[C@@H]1CC[NH2+]C1)N1CCn2c[nH+]cc2C1 ZINC000627251430 363873083 /nfs/dbraw/zinc/87/30/83/363873083.db2.gz KRHBLCFZNBFUCZ-SECBINFHSA-N 2 2 235.291 -0.230 20 0 BBADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627252920 363879611 /nfs/dbraw/zinc/87/96/11/363879611.db2.gz KVLIQZCJRUHHLQ-MRVPVSSYSA-N 2 2 223.280 -0.087 20 0 BBADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627252920 363879608 /nfs/dbraw/zinc/87/96/08/363879608.db2.gz KVLIQZCJRUHHLQ-MRVPVSSYSA-N 2 2 223.280 -0.087 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000627651420 371809792 /nfs/dbraw/zinc/80/97/92/371809792.db2.gz QJHHZGWHXYYTSK-IAZYJMLFSA-N 2 2 234.303 -0.099 20 0 BBADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627654838 371813873 /nfs/dbraw/zinc/81/38/73/371813873.db2.gz QFBWNYHVFLQVBF-PJXYFTJBSA-N 2 2 248.330 -0.019 20 0 BBADLP C[NH+](C)CC(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000627931374 372139848 /nfs/dbraw/zinc/13/98/48/372139848.db2.gz OCTCLYAOTMMFRC-UHFFFAOYSA-N 2 2 241.335 -0.473 20 0 BBADLP Cc1c[nH]c(CN2CC([N@H+]3CC[C@@H](O)C3)C2)[nH+]1 ZINC000628325332 351250999 /nfs/dbraw/zinc/25/09/99/351250999.db2.gz HPPVDJMJOYGHOT-LLVKDONJSA-N 2 2 236.319 -0.031 20 0 BBADLP Cc1c[nH]c(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)[nH+]1 ZINC000628325332 351250996 /nfs/dbraw/zinc/25/09/96/351250996.db2.gz HPPVDJMJOYGHOT-LLVKDONJSA-N 2 2 236.319 -0.031 20 0 BBADLP Cc1c[nH]c(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)[nH+]1 ZINC000628327970 351264594 /nfs/dbraw/zinc/26/45/94/351264594.db2.gz YBGVEUPGBVHEQU-WDEREUQCSA-N 2 2 236.319 -0.031 20 0 BBADLP Cc1c[nH]c(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[nH+]1 ZINC000628327970 351264591 /nfs/dbraw/zinc/26/45/91/351264591.db2.gz YBGVEUPGBVHEQU-WDEREUQCSA-N 2 2 236.319 -0.031 20 0 BBADLP OCC[NH+](CCO)C1CC[NH+](C2CC2)CC1 ZINC000628370262 355880247 /nfs/dbraw/zinc/88/02/47/355880247.db2.gz HPTXJROITQTUJW-UHFFFAOYSA-N 2 2 228.336 -0.100 20 0 BBADLP CN(C)c1[nH+]cc(C[NH+](CCO)CCO)n1C ZINC000628370429 355881081 /nfs/dbraw/zinc/88/10/81/355881081.db2.gz RVLVZIWYGPHOSI-UHFFFAOYSA-N 2 2 242.323 -0.727 20 0 BBADLP OCC[NH+](CCO)Cc1c[nH+]c2n1CCC2 ZINC000628370659 355883626 /nfs/dbraw/zinc/88/36/26/355883626.db2.gz UUGVYGSPJRTLCN-UHFFFAOYSA-N 2 2 225.292 -0.384 20 0 BBADLP Cc1[nH+]cc(C[NH+](CCO)CCO)n1C ZINC000628370690 355883646 /nfs/dbraw/zinc/88/36/46/355883646.db2.gz XMMFLODTLVUDGP-UHFFFAOYSA-N 2 2 213.281 -0.485 20 0 BBADLP Cc1[nH+]cc(C[NH+]2C[C@H](O)[C@@H](O)C2)n1C ZINC000628415258 357233554 /nfs/dbraw/zinc/23/35/54/357233554.db2.gz RPCBWGNDHSMXQD-UWVGGRQHSA-N 2 2 211.265 -0.734 20 0 BBADLP O[C@H]1C[NH+](Cc2c[nH+]c3n2CCC3)C[C@@H]1O ZINC000628415344 357233578 /nfs/dbraw/zinc/23/35/78/357233578.db2.gz XOBVYBVTTAWREQ-UWVGGRQHSA-N 2 2 223.276 -0.633 20 0 BBADLP COC1CC([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000628465056 358223787 /nfs/dbraw/zinc/22/37/87/358223787.db2.gz RMGGYKNHFMTLJN-HSOILSAZSA-N 2 2 214.309 -0.180 20 0 BBADLP COC1CC([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000628465056 358223783 /nfs/dbraw/zinc/22/37/83/358223783.db2.gz RMGGYKNHFMTLJN-HSOILSAZSA-N 2 2 214.309 -0.180 20 0 BBADLP COC[C@H](C)C[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000628465268 358424593 /nfs/dbraw/zinc/42/45/93/358424593.db2.gz ZGMPPHCAXBYPSB-GHMZBOCLSA-N 2 2 216.325 -0.075 20 0 BBADLP COC[C@H](C)C[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000628465268 358424587 /nfs/dbraw/zinc/42/45/87/358424587.db2.gz ZGMPPHCAXBYPSB-GHMZBOCLSA-N 2 2 216.325 -0.075 20 0 BBADLP COC[C@@H](C)C[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000628465269 358424304 /nfs/dbraw/zinc/42/43/04/358424304.db2.gz ZGMPPHCAXBYPSB-WDEREUQCSA-N 2 2 216.325 -0.075 20 0 BBADLP COC[C@@H](C)C[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000628465269 358424302 /nfs/dbraw/zinc/42/43/02/358424302.db2.gz ZGMPPHCAXBYPSB-WDEREUQCSA-N 2 2 216.325 -0.075 20 0 BBADLP COC1CC([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000628498578 359707987 /nfs/dbraw/zinc/70/79/87/359707987.db2.gz RMGGYKNHFMTLJN-YVNMAJEFSA-N 2 2 214.309 -0.180 20 0 BBADLP COC1CC([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000628498578 359707986 /nfs/dbraw/zinc/70/79/86/359707986.db2.gz RMGGYKNHFMTLJN-YVNMAJEFSA-N 2 2 214.309 -0.180 20 0 BBADLP COC[C@H](C)C[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000628498933 359718406 /nfs/dbraw/zinc/71/84/06/359718406.db2.gz ZGMPPHCAXBYPSB-MNOVXSKESA-N 2 2 216.325 -0.075 20 0 BBADLP COC[C@H](C)C[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000628498933 359718399 /nfs/dbraw/zinc/71/83/99/359718399.db2.gz ZGMPPHCAXBYPSB-MNOVXSKESA-N 2 2 216.325 -0.075 20 0 BBADLP COC[C@@H](C)C[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000628498934 359718600 /nfs/dbraw/zinc/71/86/00/359718600.db2.gz ZGMPPHCAXBYPSB-QWRGUYRKSA-N 2 2 216.325 -0.075 20 0 BBADLP COC[C@@H](C)C[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000628498934 359718596 /nfs/dbraw/zinc/71/85/96/359718596.db2.gz ZGMPPHCAXBYPSB-QWRGUYRKSA-N 2 2 216.325 -0.075 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000628914736 360748581 /nfs/dbraw/zinc/74/85/81/360748581.db2.gz PHGUKAYPGCIKIL-JTQLQIEISA-N 2 2 238.291 -0.670 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000628914736 360748576 /nfs/dbraw/zinc/74/85/76/360748576.db2.gz PHGUKAYPGCIKIL-JTQLQIEISA-N 2 2 238.291 -0.670 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000628914737 360748684 /nfs/dbraw/zinc/74/86/84/360748684.db2.gz PHGUKAYPGCIKIL-SNVBAGLBSA-N 2 2 238.291 -0.670 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000628914737 360748678 /nfs/dbraw/zinc/74/86/78/360748678.db2.gz PHGUKAYPGCIKIL-SNVBAGLBSA-N 2 2 238.291 -0.670 20 0 BBADLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000628918033 360754043 /nfs/dbraw/zinc/75/40/43/360754043.db2.gz CURCWKBASAKOCM-GHMZBOCLSA-N 2 2 241.335 -0.615 20 0 BBADLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000628918033 360754038 /nfs/dbraw/zinc/75/40/38/360754038.db2.gz CURCWKBASAKOCM-GHMZBOCLSA-N 2 2 241.335 -0.615 20 0 BBADLP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000628918033 360754035 /nfs/dbraw/zinc/75/40/35/360754035.db2.gz CURCWKBASAKOCM-GHMZBOCLSA-N 2 2 241.335 -0.615 20 0 BBADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000628918033 360754032 /nfs/dbraw/zinc/75/40/32/360754032.db2.gz CURCWKBASAKOCM-GHMZBOCLSA-N 2 2 241.335 -0.615 20 0 BBADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000628918045 360753513 /nfs/dbraw/zinc/75/35/13/360753513.db2.gz CURCWKBASAKOCM-MNOVXSKESA-N 2 2 241.335 -0.615 20 0 BBADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000628918045 360753511 /nfs/dbraw/zinc/75/35/11/360753511.db2.gz CURCWKBASAKOCM-MNOVXSKESA-N 2 2 241.335 -0.615 20 0 BBADLP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000628918045 360753507 /nfs/dbraw/zinc/75/35/07/360753507.db2.gz CURCWKBASAKOCM-MNOVXSKESA-N 2 2 241.335 -0.615 20 0 BBADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000628918045 360753504 /nfs/dbraw/zinc/75/35/04/360753504.db2.gz CURCWKBASAKOCM-MNOVXSKESA-N 2 2 241.335 -0.615 20 0 BBADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000628918046 360754274 /nfs/dbraw/zinc/75/42/74/360754274.db2.gz CURCWKBASAKOCM-QWRGUYRKSA-N 2 2 241.335 -0.615 20 0 BBADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000628918046 360754269 /nfs/dbraw/zinc/75/42/69/360754269.db2.gz CURCWKBASAKOCM-QWRGUYRKSA-N 2 2 241.335 -0.615 20 0 BBADLP C[N@H+]1CC[C@H](C(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000628918046 360754265 /nfs/dbraw/zinc/75/42/65/360754265.db2.gz CURCWKBASAKOCM-QWRGUYRKSA-N 2 2 241.335 -0.615 20 0 BBADLP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000628918046 360754259 /nfs/dbraw/zinc/75/42/59/360754259.db2.gz CURCWKBASAKOCM-QWRGUYRKSA-N 2 2 241.335 -0.615 20 0 BBADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000628918047 360753716 /nfs/dbraw/zinc/75/37/16/360753716.db2.gz CURCWKBASAKOCM-WDEREUQCSA-N 2 2 241.335 -0.615 20 0 BBADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000628918047 360753715 /nfs/dbraw/zinc/75/37/15/360753715.db2.gz CURCWKBASAKOCM-WDEREUQCSA-N 2 2 241.335 -0.615 20 0 BBADLP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000628918047 360753712 /nfs/dbraw/zinc/75/37/12/360753712.db2.gz CURCWKBASAKOCM-WDEREUQCSA-N 2 2 241.335 -0.615 20 0 BBADLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000628918047 360753709 /nfs/dbraw/zinc/75/37/09/360753709.db2.gz CURCWKBASAKOCM-WDEREUQCSA-N 2 2 241.335 -0.615 20 0 BBADLP CC[C@H](C(=O)NC[C@@H]1COCC[N@H+]1C)[NH+](C)C ZINC000628918096 360754164 /nfs/dbraw/zinc/75/41/64/360754164.db2.gz LZXRJWZMTLKKJZ-GHMZBOCLSA-N 2 2 243.351 -0.227 20 0 BBADLP CC[C@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)[NH+](C)C ZINC000628918096 360754160 /nfs/dbraw/zinc/75/41/60/360754160.db2.gz LZXRJWZMTLKKJZ-GHMZBOCLSA-N 2 2 243.351 -0.227 20 0 BBADLP CC[C@@H](C(=O)NC[C@@H]1COCC[N@H+]1C)[NH+](C)C ZINC000628918100 360753893 /nfs/dbraw/zinc/75/38/93/360753893.db2.gz LZXRJWZMTLKKJZ-MNOVXSKESA-N 2 2 243.351 -0.227 20 0 BBADLP CC[C@@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)[NH+](C)C ZINC000628918100 360753889 /nfs/dbraw/zinc/75/38/89/360753889.db2.gz LZXRJWZMTLKKJZ-MNOVXSKESA-N 2 2 243.351 -0.227 20 0 BBADLP CC[C@@H](C(=O)NC[C@H]1COCC[N@H+]1C)[NH+](C)C ZINC000628918101 360753482 /nfs/dbraw/zinc/75/34/82/360753482.db2.gz LZXRJWZMTLKKJZ-QWRGUYRKSA-N 2 2 243.351 -0.227 20 0 BBADLP CC[C@@H](C(=O)NC[C@H]1COCC[N@@H+]1C)[NH+](C)C ZINC000628918101 360753480 /nfs/dbraw/zinc/75/34/80/360753480.db2.gz LZXRJWZMTLKKJZ-QWRGUYRKSA-N 2 2 243.351 -0.227 20 0 BBADLP CC[C@H](C(=O)NC[C@H]1COCC[N@H+]1C)[NH+](C)C ZINC000628918102 360753624 /nfs/dbraw/zinc/75/36/24/360753624.db2.gz LZXRJWZMTLKKJZ-WDEREUQCSA-N 2 2 243.351 -0.227 20 0 BBADLP CC[C@H](C(=O)NC[C@H]1COCC[N@@H+]1C)[NH+](C)C ZINC000628918102 360753619 /nfs/dbraw/zinc/75/36/19/360753619.db2.gz LZXRJWZMTLKKJZ-WDEREUQCSA-N 2 2 243.351 -0.227 20 0 BBADLP CC[NH+](CC)CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628918469 360751447 /nfs/dbraw/zinc/75/14/47/360751447.db2.gz QBOIKXDSGNKCEY-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP CC[NH+](CC)CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628918469 360751441 /nfs/dbraw/zinc/75/14/41/360751441.db2.gz QBOIKXDSGNKCEY-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP CC[NH+](CC)CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628918471 360750916 /nfs/dbraw/zinc/75/09/16/360750916.db2.gz QBOIKXDSGNKCEY-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP CC[NH+](CC)CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628918471 360750911 /nfs/dbraw/zinc/75/09/11/360750911.db2.gz QBOIKXDSGNKCEY-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628922348 360755718 /nfs/dbraw/zinc/75/57/18/360755718.db2.gz WFUOHBLHGQZUMO-LLVKDONJSA-N 2 2 243.351 -0.227 20 0 BBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628922348 360755713 /nfs/dbraw/zinc/75/57/13/360755713.db2.gz WFUOHBLHGQZUMO-LLVKDONJSA-N 2 2 243.351 -0.227 20 0 BBADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1COCC[NH+]1C ZINC000628922348 360755708 /nfs/dbraw/zinc/75/57/08/360755708.db2.gz WFUOHBLHGQZUMO-LLVKDONJSA-N 2 2 243.351 -0.227 20 0 BBADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1COCC[NH+]1C ZINC000628922348 360755703 /nfs/dbraw/zinc/75/57/03/360755703.db2.gz WFUOHBLHGQZUMO-LLVKDONJSA-N 2 2 243.351 -0.227 20 0 BBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628922349 360755404 /nfs/dbraw/zinc/75/54/04/360755404.db2.gz WFUOHBLHGQZUMO-NSHDSACASA-N 2 2 243.351 -0.227 20 0 BBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628922349 360755401 /nfs/dbraw/zinc/75/54/01/360755401.db2.gz WFUOHBLHGQZUMO-NSHDSACASA-N 2 2 243.351 -0.227 20 0 BBADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1COCC[NH+]1C ZINC000628922349 360755399 /nfs/dbraw/zinc/75/53/99/360755399.db2.gz WFUOHBLHGQZUMO-NSHDSACASA-N 2 2 243.351 -0.227 20 0 BBADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1COCC[NH+]1C ZINC000628922349 360755395 /nfs/dbraw/zinc/75/53/95/360755395.db2.gz WFUOHBLHGQZUMO-NSHDSACASA-N 2 2 243.351 -0.227 20 0 BBADLP CCC[NH+](C)CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628923325 360759682 /nfs/dbraw/zinc/75/96/82/360759682.db2.gz UADSQIKWOWTERG-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP CCC[NH+](C)CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628923325 360759678 /nfs/dbraw/zinc/75/96/78/360759678.db2.gz UADSQIKWOWTERG-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1COCC[NH+]1C ZINC000628923325 360759673 /nfs/dbraw/zinc/75/96/73/360759673.db2.gz UADSQIKWOWTERG-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP CCC[N@H+](C)CC(=O)NC[C@@H]1COCC[NH+]1C ZINC000628923325 360759671 /nfs/dbraw/zinc/75/96/71/360759671.db2.gz UADSQIKWOWTERG-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP CCC[NH+](C)CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628923328 360759591 /nfs/dbraw/zinc/75/95/91/360759591.db2.gz UADSQIKWOWTERG-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP CCC[NH+](C)CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628923328 360759589 /nfs/dbraw/zinc/75/95/89/360759589.db2.gz UADSQIKWOWTERG-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP CCC[N@@H+](C)CC(=O)NC[C@H]1COCC[NH+]1C ZINC000628923328 360759586 /nfs/dbraw/zinc/75/95/86/360759586.db2.gz UADSQIKWOWTERG-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP CCC[N@H+](C)CC(=O)NC[C@H]1COCC[NH+]1C ZINC000628923328 360759585 /nfs/dbraw/zinc/75/95/85/360759585.db2.gz UADSQIKWOWTERG-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP C[NH+](C)C1(C(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000629168547 360917844 /nfs/dbraw/zinc/91/78/44/360917844.db2.gz KDBIOSPSNDBECG-SNVBAGLBSA-N 2 2 241.335 -0.737 20 0 BBADLP C[NH+](C)C1(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000629168547 360917840 /nfs/dbraw/zinc/91/78/40/360917840.db2.gz KDBIOSPSNDBECG-SNVBAGLBSA-N 2 2 241.335 -0.737 20 0 BBADLP COc1c(N)[nH+]cnc1N[C@@H]1CC[NH2+]C1 ZINC000629381582 361028438 /nfs/dbraw/zinc/02/84/38/361028438.db2.gz OOUKWMBFBIDWQH-ZCFIWIBFSA-N 2 2 209.253 -0.159 20 0 BBADLP [NH3+]CCCOCC[NH2+]Cc1csnn1 ZINC000629398521 361049089 /nfs/dbraw/zinc/04/90/89/361049089.db2.gz DMQOLVZPSOIMFC-UHFFFAOYSA-N 2 2 216.310 -0.007 20 0 BBADLP CN(C)S(=O)(=O)CC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000629512909 361107135 /nfs/dbraw/zinc/10/71/35/361107135.db2.gz CXKNRMBAPHHITI-JTQLQIEISA-N 2 2 249.380 -0.405 20 0 BBADLP CN(C)S(=O)(=O)CC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000629512920 361110157 /nfs/dbraw/zinc/11/01/57/361110157.db2.gz CXKNRMBAPHHITI-SNVBAGLBSA-N 2 2 249.380 -0.405 20 0 BBADLP CN(C)S(=O)(=O)CC[NH2+]CC1([NH3+])CCC1 ZINC000629518386 361117881 /nfs/dbraw/zinc/11/78/81/361117881.db2.gz IHDXYFPDWMUTEJ-UHFFFAOYSA-N 2 2 235.353 -0.651 20 0 BBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000629524143 361122263 /nfs/dbraw/zinc/12/22/63/361122263.db2.gz MKKNDCIOZKJKOQ-DBIOUOCHSA-N 2 2 241.335 -0.393 20 0 BBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000629524144 361121875 /nfs/dbraw/zinc/12/18/75/361121875.db2.gz MKKNDCIOZKJKOQ-GWOFURMSSA-N 2 2 241.335 -0.393 20 0 BBADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000629524145 361122246 /nfs/dbraw/zinc/12/22/46/361122246.db2.gz MKKNDCIOZKJKOQ-NAKRPEOUSA-N 2 2 241.335 -0.393 20 0 BBADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000629524146 361121915 /nfs/dbraw/zinc/12/19/15/361121915.db2.gz MKKNDCIOZKJKOQ-XWLWVQCSSA-N 2 2 241.335 -0.393 20 0 BBADLP CN(C)S(=O)(=O)CC[NH+]1CCC(C)([NH3+])CC1 ZINC000629527385 361129790 /nfs/dbraw/zinc/12/97/90/361129790.db2.gz UHOWQQBUBQKORL-UHFFFAOYSA-N 2 2 249.380 -0.309 20 0 BBADLP C[NH2+]CCOCC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000629528713 361137455 /nfs/dbraw/zinc/13/74/55/361137455.db2.gz HLKLQBLQOJBGDH-GHMZBOCLSA-N 3 2 215.341 -0.238 20 0 BBADLP C[NH2+]CCOCC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000629528713 361137451 /nfs/dbraw/zinc/13/74/51/361137451.db2.gz HLKLQBLQOJBGDH-GHMZBOCLSA-N 3 2 215.341 -0.238 20 0 BBADLP C[NH2+]CCOCC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000629528714 361136654 /nfs/dbraw/zinc/13/66/54/361136654.db2.gz HLKLQBLQOJBGDH-MNOVXSKESA-N 3 2 215.341 -0.238 20 0 BBADLP C[NH2+]CCOCC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000629528714 361136652 /nfs/dbraw/zinc/13/66/52/361136652.db2.gz HLKLQBLQOJBGDH-MNOVXSKESA-N 3 2 215.341 -0.238 20 0 BBADLP C[NH2+]CCOCC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000629528715 361138087 /nfs/dbraw/zinc/13/80/87/361138087.db2.gz HLKLQBLQOJBGDH-QWRGUYRKSA-N 3 2 215.341 -0.238 20 0 BBADLP C[NH2+]CCOCC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000629528715 361138084 /nfs/dbraw/zinc/13/80/84/361138084.db2.gz HLKLQBLQOJBGDH-QWRGUYRKSA-N 3 2 215.341 -0.238 20 0 BBADLP C[NH2+]CCOCC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000629528716 361138706 /nfs/dbraw/zinc/13/87/06/361138706.db2.gz HLKLQBLQOJBGDH-WDEREUQCSA-N 3 2 215.341 -0.238 20 0 BBADLP C[NH2+]CCOCC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000629528716 361138700 /nfs/dbraw/zinc/13/87/00/361138700.db2.gz HLKLQBLQOJBGDH-WDEREUQCSA-N 3 2 215.341 -0.238 20 0 BBADLP C[NH2+]CCOCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000629531248 491078288 /nfs/dbraw/zinc/07/82/88/491078288.db2.gz FULCAFRZNGCAJS-GHMZBOCLSA-N 3 2 215.341 -0.190 20 0 BBADLP C[NH2+]CCOCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000629531249 491078302 /nfs/dbraw/zinc/07/83/02/491078302.db2.gz FULCAFRZNGCAJS-MNOVXSKESA-N 3 2 215.341 -0.190 20 0 BBADLP C[NH2+]CCOCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000629531250 491078323 /nfs/dbraw/zinc/07/83/23/491078323.db2.gz FULCAFRZNGCAJS-QWRGUYRKSA-N 3 2 215.341 -0.190 20 0 BBADLP C[NH2+]CCOCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000629531251 491078329 /nfs/dbraw/zinc/07/83/29/491078329.db2.gz FULCAFRZNGCAJS-WDEREUQCSA-N 3 2 215.341 -0.190 20 0 BBADLP C[NH2+]CCOCC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000629531310 361148806 /nfs/dbraw/zinc/14/88/06/361148806.db2.gz HICTUSGAQDJBAU-NEPJUHHUSA-N 3 2 245.367 -0.421 20 0 BBADLP C[NH2+]CCOCC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000629531311 361149111 /nfs/dbraw/zinc/14/91/11/361149111.db2.gz HICTUSGAQDJBAU-NWDGAFQWSA-N 3 2 245.367 -0.421 20 0 BBADLP C[NH2+]CCOCC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000629531312 361149146 /nfs/dbraw/zinc/14/91/46/361149146.db2.gz HICTUSGAQDJBAU-RYUDHWBXSA-N 3 2 245.367 -0.421 20 0 BBADLP C[NH2+]CCOCC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000629531313 361148748 /nfs/dbraw/zinc/14/87/48/361148748.db2.gz HICTUSGAQDJBAU-VXGBXAGGSA-N 3 2 245.367 -0.421 20 0 BBADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1COCCN1C ZINC000629532460 361153468 /nfs/dbraw/zinc/15/34/68/361153468.db2.gz BPJDJXLEQROAEF-GRYCIOLGSA-N 2 2 227.352 -0.095 20 0 BBADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1COCCN1C ZINC000629532461 361153538 /nfs/dbraw/zinc/15/35/38/361153538.db2.gz BPJDJXLEQROAEF-IJLUTSLNSA-N 2 2 227.352 -0.095 20 0 BBADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1COCCN1C ZINC000629532462 361152539 /nfs/dbraw/zinc/15/25/39/361152539.db2.gz BPJDJXLEQROAEF-UTUOFQBUSA-N 2 2 227.352 -0.095 20 0 BBADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1COCCN1C ZINC000629532463 361153565 /nfs/dbraw/zinc/15/35/65/361153565.db2.gz BPJDJXLEQROAEF-WOPDTQHZSA-N 2 2 227.352 -0.095 20 0 BBADLP COc1cncc(C[N@@H+](C)C[C@H](O)C[NH3+])n1 ZINC000629534549 361407324 /nfs/dbraw/zinc/40/73/24/361407324.db2.gz ARGJNNHKBZKDNO-SECBINFHSA-N 2 2 226.280 -0.763 20 0 BBADLP COc1cncc(C[N@H+](C)C[C@H](O)C[NH3+])n1 ZINC000629534549 361407321 /nfs/dbraw/zinc/40/73/21/361407321.db2.gz ARGJNNHKBZKDNO-SECBINFHSA-N 2 2 226.280 -0.763 20 0 BBADLP COc1cncc(C[N@@H+](C)C[C@@H](O)C[NH3+])n1 ZINC000629534569 361407241 /nfs/dbraw/zinc/40/72/41/361407241.db2.gz ARGJNNHKBZKDNO-VIFPVBQESA-N 2 2 226.280 -0.763 20 0 BBADLP COc1cncc(C[N@H+](C)C[C@@H](O)C[NH3+])n1 ZINC000629534569 361407239 /nfs/dbraw/zinc/40/72/39/361407239.db2.gz ARGJNNHKBZKDNO-VIFPVBQESA-N 2 2 226.280 -0.763 20 0 BBADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)N1CCOCC1 ZINC000629535883 361412072 /nfs/dbraw/zinc/41/20/72/361412072.db2.gz HRLLJCVPOHHTBI-JTQLQIEISA-N 2 2 243.351 -0.192 20 0 BBADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)N1CCOCC1 ZINC000629535945 361410828 /nfs/dbraw/zinc/41/08/28/361410828.db2.gz HRLLJCVPOHHTBI-SNVBAGLBSA-N 2 2 243.351 -0.192 20 0 BBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCOCCC[NH3+] ZINC000629536366 361398523 /nfs/dbraw/zinc/39/85/23/361398523.db2.gz GGLIVHSTRNVGSP-NEPJUHHUSA-N 3 2 245.367 -0.292 20 0 BBADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCOCCC[NH3+] ZINC000629536495 361398494 /nfs/dbraw/zinc/39/84/94/361398494.db2.gz GGLIVHSTRNVGSP-NWDGAFQWSA-N 3 2 245.367 -0.292 20 0 BBADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCOCCC[NH3+] ZINC000629536496 361398698 /nfs/dbraw/zinc/39/86/98/361398698.db2.gz GGLIVHSTRNVGSP-RYUDHWBXSA-N 3 2 245.367 -0.292 20 0 BBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCOCCC[NH3+] ZINC000629536498 361398592 /nfs/dbraw/zinc/39/85/92/361398592.db2.gz GGLIVHSTRNVGSP-VXGBXAGGSA-N 3 2 245.367 -0.292 20 0 BBADLP CN(C)S(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000629537730 361401348 /nfs/dbraw/zinc/40/13/48/361401348.db2.gz KQYYTEXKHMFGRM-NXEZZACHSA-N 2 2 249.380 -0.263 20 0 BBADLP C[N@H+](CC(=O)NCC(C)(C)C)C[C@H](O)C[NH3+] ZINC000629538169 361402529 /nfs/dbraw/zinc/40/25/29/361402529.db2.gz QMDCWJURJGQUEK-SECBINFHSA-N 2 2 231.340 -0.600 20 0 BBADLP C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H](O)C[NH3+] ZINC000629538169 361402526 /nfs/dbraw/zinc/40/25/26/361402526.db2.gz QMDCWJURJGQUEK-SECBINFHSA-N 2 2 231.340 -0.600 20 0 BBADLP C[N@H+](CC(=O)NCC(C)(C)C)C[C@@H](O)C[NH3+] ZINC000629538170 361402358 /nfs/dbraw/zinc/40/23/58/361402358.db2.gz QMDCWJURJGQUEK-VIFPVBQESA-N 2 2 231.340 -0.600 20 0 BBADLP C[N@@H+](CC(=O)NCC(C)(C)C)C[C@@H](O)C[NH3+] ZINC000629538170 361402356 /nfs/dbraw/zinc/40/23/56/361402356.db2.gz QMDCWJURJGQUEK-VIFPVBQESA-N 2 2 231.340 -0.600 20 0 BBADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629538743 361403925 /nfs/dbraw/zinc/40/39/25/361403925.db2.gz ONFMQLYBRNNHAE-GHMZBOCLSA-N 3 2 215.341 -0.061 20 0 BBADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629538750 361403188 /nfs/dbraw/zinc/40/31/88/361403188.db2.gz ONFMQLYBRNNHAE-MNOVXSKESA-N 3 2 215.341 -0.061 20 0 BBADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629538753 361403964 /nfs/dbraw/zinc/40/39/64/361403964.db2.gz ONFMQLYBRNNHAE-QWRGUYRKSA-N 3 2 215.341 -0.061 20 0 BBADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629538755 361403827 /nfs/dbraw/zinc/40/38/27/361403827.db2.gz ONFMQLYBRNNHAE-WDEREUQCSA-N 3 2 215.341 -0.061 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629542175 361418555 /nfs/dbraw/zinc/41/85/55/361418555.db2.gz WKRYBPJBCNBWHK-GHMZBOCLSA-N 3 2 215.341 -0.109 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629542175 361418553 /nfs/dbraw/zinc/41/85/53/361418553.db2.gz WKRYBPJBCNBWHK-GHMZBOCLSA-N 3 2 215.341 -0.109 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629542178 361418442 /nfs/dbraw/zinc/41/84/42/361418442.db2.gz WKRYBPJBCNBWHK-MNOVXSKESA-N 3 2 215.341 -0.109 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629542178 361418437 /nfs/dbraw/zinc/41/84/37/361418437.db2.gz WKRYBPJBCNBWHK-MNOVXSKESA-N 3 2 215.341 -0.109 20 0 BBADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629542179 361417644 /nfs/dbraw/zinc/41/76/44/361417644.db2.gz WKRYBPJBCNBWHK-QWRGUYRKSA-N 3 2 215.341 -0.109 20 0 BBADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629542179 361417639 /nfs/dbraw/zinc/41/76/39/361417639.db2.gz WKRYBPJBCNBWHK-QWRGUYRKSA-N 3 2 215.341 -0.109 20 0 BBADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629542181 361417840 /nfs/dbraw/zinc/41/78/40/361417840.db2.gz WKRYBPJBCNBWHK-WDEREUQCSA-N 3 2 215.341 -0.109 20 0 BBADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629542181 361417834 /nfs/dbraw/zinc/41/78/34/361417834.db2.gz WKRYBPJBCNBWHK-WDEREUQCSA-N 3 2 215.341 -0.109 20 0 BBADLP C[C@@H]1C[C@@H]1C[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000629546816 361429552 /nfs/dbraw/zinc/42/95/52/361429552.db2.gz QKKQAAXMWIGEKD-BBBLOLIVSA-N 2 2 202.298 -0.744 20 0 BBADLP C[C@@H]1C[C@@H]1C[N@H+](CC[NH3+])C[C@H](O)CO ZINC000629546816 361429547 /nfs/dbraw/zinc/42/95/47/361429547.db2.gz QKKQAAXMWIGEKD-BBBLOLIVSA-N 2 2 202.298 -0.744 20 0 BBADLP C[C@@H]1C[C@H]1C[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000629546827 361428713 /nfs/dbraw/zinc/42/87/13/361428713.db2.gz QKKQAAXMWIGEKD-KXUCPTDWSA-N 2 2 202.298 -0.744 20 0 BBADLP C[C@@H]1C[C@H]1C[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000629546827 361428710 /nfs/dbraw/zinc/42/87/10/361428710.db2.gz QKKQAAXMWIGEKD-KXUCPTDWSA-N 2 2 202.298 -0.744 20 0 BBADLP C[C@@H]1C[C@@H]1C[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000629546830 361429723 /nfs/dbraw/zinc/42/97/23/361429723.db2.gz QKKQAAXMWIGEKD-OPRDCNLKSA-N 2 2 202.298 -0.744 20 0 BBADLP C[C@@H]1C[C@@H]1C[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000629546830 361429719 /nfs/dbraw/zinc/42/97/19/361429719.db2.gz QKKQAAXMWIGEKD-OPRDCNLKSA-N 2 2 202.298 -0.744 20 0 BBADLP C[C@@H]1C[C@H]1C[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000629546832 361428993 /nfs/dbraw/zinc/42/89/93/361428993.db2.gz QKKQAAXMWIGEKD-UTLUCORTSA-N 2 2 202.298 -0.744 20 0 BBADLP C[C@@H]1C[C@H]1C[N@H+](CC[NH3+])C[C@H](O)CO ZINC000629546832 361428988 /nfs/dbraw/zinc/42/89/88/361428988.db2.gz QKKQAAXMWIGEKD-UTLUCORTSA-N 2 2 202.298 -0.744 20 0 BBADLP CCO[C@@H](C[N@@H+](CC[NH3+])C[C@@H](O)CO)C1CC1 ZINC000629546908 361429579 /nfs/dbraw/zinc/42/95/79/361429579.db2.gz QXXKTWDSDODROL-NEPJUHHUSA-N 2 2 246.351 -0.585 20 0 BBADLP CCO[C@@H](C[N@H+](CC[NH3+])C[C@@H](O)CO)C1CC1 ZINC000629546908 361429574 /nfs/dbraw/zinc/42/95/74/361429574.db2.gz QXXKTWDSDODROL-NEPJUHHUSA-N 2 2 246.351 -0.585 20 0 BBADLP CCO[C@H](C[N@@H+](CC[NH3+])C[C@H](O)CO)C1CC1 ZINC000629546917 361428732 /nfs/dbraw/zinc/42/87/32/361428732.db2.gz QXXKTWDSDODROL-NWDGAFQWSA-N 2 2 246.351 -0.585 20 0 BBADLP CCO[C@H](C[N@H+](CC[NH3+])C[C@H](O)CO)C1CC1 ZINC000629546917 361428728 /nfs/dbraw/zinc/42/87/28/361428728.db2.gz QXXKTWDSDODROL-NWDGAFQWSA-N 2 2 246.351 -0.585 20 0 BBADLP CCO[C@@H](C[N@@H+](CC[NH3+])C[C@H](O)CO)C1CC1 ZINC000629546919 361429424 /nfs/dbraw/zinc/42/94/24/361429424.db2.gz QXXKTWDSDODROL-RYUDHWBXSA-N 2 2 246.351 -0.585 20 0 BBADLP CCO[C@@H](C[N@H+](CC[NH3+])C[C@H](O)CO)C1CC1 ZINC000629546919 361429421 /nfs/dbraw/zinc/42/94/21/361429421.db2.gz QXXKTWDSDODROL-RYUDHWBXSA-N 2 2 246.351 -0.585 20 0 BBADLP CCO[C@H](C[N@@H+](CC[NH3+])C[C@@H](O)CO)C1CC1 ZINC000629546921 361428864 /nfs/dbraw/zinc/42/88/64/361428864.db2.gz QXXKTWDSDODROL-VXGBXAGGSA-N 2 2 246.351 -0.585 20 0 BBADLP CCO[C@H](C[N@H+](CC[NH3+])C[C@@H](O)CO)C1CC1 ZINC000629546921 361428860 /nfs/dbraw/zinc/42/88/60/361428860.db2.gz QXXKTWDSDODROL-VXGBXAGGSA-N 2 2 246.351 -0.585 20 0 BBADLP [NH3+]CCC[NH+]1CCN(c2nccnn2)CC1 ZINC000629552519 361436336 /nfs/dbraw/zinc/43/63/36/361436336.db2.gz LKOQFGBPGYHSIX-UHFFFAOYSA-N 2 2 222.296 -0.658 20 0 BBADLP C[NH2+]CCC[NH+]1CCN(c2nccnn2)CC1 ZINC000629552735 361436698 /nfs/dbraw/zinc/43/66/98/361436698.db2.gz PJNPLBXCUFPKNK-UHFFFAOYSA-N 2 2 236.323 -0.397 20 0 BBADLP c1cnc(N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)nn1 ZINC000629553124 361437134 /nfs/dbraw/zinc/43/71/34/361437134.db2.gz UOJORPQGNYJUNH-LLVKDONJSA-N 2 2 248.334 -0.397 20 0 BBADLP c1cnc(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)nn1 ZINC000629553125 361437804 /nfs/dbraw/zinc/43/78/04/361437804.db2.gz UOJORPQGNYJUNH-NSHDSACASA-N 2 2 248.334 -0.397 20 0 BBADLP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CC[NH2+]C1 ZINC000629555502 361447751 /nfs/dbraw/zinc/44/77/51/361447751.db2.gz VQCWKVHQWBONRG-NXEZZACHSA-N 3 2 201.314 -0.308 20 0 BBADLP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[NH2+]C1 ZINC000629555503 361446992 /nfs/dbraw/zinc/44/69/92/361446992.db2.gz VQCWKVHQWBONRG-ZJUUUORDSA-N 3 2 201.314 -0.308 20 0 BBADLP CC[N@@H+](CC[NH3+])CCCS(=O)(=O)NC ZINC000629556317 361449802 /nfs/dbraw/zinc/44/98/02/361449802.db2.gz GNGLMNDULGJLBD-UHFFFAOYSA-N 2 2 223.342 -0.794 20 0 BBADLP CC[N@H+](CC[NH3+])CCCS(=O)(=O)NC ZINC000629556317 361449797 /nfs/dbraw/zinc/44/97/97/361449797.db2.gz GNGLMNDULGJLBD-UHFFFAOYSA-N 2 2 223.342 -0.794 20 0 BBADLP CC[N@@H+](CC[NH3+])CCC(=O)N1CCOCC1 ZINC000629557109 361445146 /nfs/dbraw/zinc/44/51/46/361445146.db2.gz CXLAINXDHYDNGI-UHFFFAOYSA-N 2 2 229.324 -0.484 20 0 BBADLP CC[N@H+](CC[NH3+])CCC(=O)N1CCOCC1 ZINC000629557109 361445141 /nfs/dbraw/zinc/44/51/41/361445141.db2.gz CXLAINXDHYDNGI-UHFFFAOYSA-N 2 2 229.324 -0.484 20 0 BBADLP CC[N@@H+](CC[NH3+])CCCS(=O)(=O)N(C)C ZINC000629557208 361450534 /nfs/dbraw/zinc/45/05/34/361450534.db2.gz YJPDPZRAVZYHOA-UHFFFAOYSA-N 2 2 237.369 -0.452 20 0 BBADLP CC[N@H+](CC[NH3+])CCCS(=O)(=O)N(C)C ZINC000629557208 361450531 /nfs/dbraw/zinc/45/05/31/361450531.db2.gz YJPDPZRAVZYHOA-UHFFFAOYSA-N 2 2 237.369 -0.452 20 0 BBADLP CC[N@@H+](CC[NH3+])[C@H](C)CN1CCOCC1 ZINC000629557892 361451988 /nfs/dbraw/zinc/45/19/88/361451988.db2.gz IDXGTNVYJWBKAJ-LLVKDONJSA-N 2 2 215.341 -0.012 20 0 BBADLP CC[N@H+](CC[NH3+])[C@H](C)CN1CCOCC1 ZINC000629557892 361451982 /nfs/dbraw/zinc/45/19/82/361451982.db2.gz IDXGTNVYJWBKAJ-LLVKDONJSA-N 2 2 215.341 -0.012 20 0 BBADLP CC[N@@H+](CC[NH3+])[C@@H](C)CN1CCOCC1 ZINC000629557893 361451458 /nfs/dbraw/zinc/45/14/58/361451458.db2.gz IDXGTNVYJWBKAJ-NSHDSACASA-N 2 2 215.341 -0.012 20 0 BBADLP CC[N@H+](CC[NH3+])[C@@H](C)CN1CCOCC1 ZINC000629557893 361451456 /nfs/dbraw/zinc/45/14/56/361451456.db2.gz IDXGTNVYJWBKAJ-NSHDSACASA-N 2 2 215.341 -0.012 20 0 BBADLP CC[N@@H+](CC[NH3+])CCN1CC[NH2+]CC1 ZINC000629557899 361451262 /nfs/dbraw/zinc/45/12/62/361451262.db2.gz IVVFXHMBZMKBBV-UHFFFAOYSA-N 3 2 200.330 -0.828 20 0 BBADLP CC[N@H+](CC[NH3+])CCN1CC[NH2+]CC1 ZINC000629557899 361451261 /nfs/dbraw/zinc/45/12/61/361451261.db2.gz IVVFXHMBZMKBBV-UHFFFAOYSA-N 3 2 200.330 -0.828 20 0 BBADLP CC[N@@H+](CC[NH3+])C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000629557974 361452103 /nfs/dbraw/zinc/45/21/03/361452103.db2.gz MCLJXGJOLGSWRL-JTQLQIEISA-N 3 2 213.325 -0.212 20 0 BBADLP CC[N@H+](CC[NH3+])C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000629557974 361452097 /nfs/dbraw/zinc/45/20/97/361452097.db2.gz MCLJXGJOLGSWRL-JTQLQIEISA-N 3 2 213.325 -0.212 20 0 BBADLP CC[N@@H+](CC[NH3+])C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000629557975 361451220 /nfs/dbraw/zinc/45/12/20/361451220.db2.gz MCLJXGJOLGSWRL-SNVBAGLBSA-N 3 2 213.325 -0.212 20 0 BBADLP CC[N@H+](CC[NH3+])C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000629557975 361451218 /nfs/dbraw/zinc/45/12/18/361451218.db2.gz MCLJXGJOLGSWRL-SNVBAGLBSA-N 3 2 213.325 -0.212 20 0 BBADLP CC[N@@H+](CC[NH3+])CCC(=O)N1CC[NH2+]CC1 ZINC000629558098 361453252 /nfs/dbraw/zinc/45/32/52/361453252.db2.gz QYWYCQGYKPHJQG-UHFFFAOYSA-N 3 2 228.340 -0.911 20 0 BBADLP CC[N@H+](CC[NH3+])CCC(=O)N1CC[NH2+]CC1 ZINC000629558098 361453247 /nfs/dbraw/zinc/45/32/47/361453247.db2.gz QYWYCQGYKPHJQG-UHFFFAOYSA-N 3 2 228.340 -0.911 20 0 BBADLP CC[N@@H+](CC[NH3+])CCC(=O)N1CC[NH+](C)CC1 ZINC000629558370 361452724 /nfs/dbraw/zinc/45/27/24/361452724.db2.gz YDIYRYGGVBIIQN-UHFFFAOYSA-N 3 2 242.367 -0.569 20 0 BBADLP CC[N@H+](CC[NH3+])CCC(=O)N1CC[NH+](C)CC1 ZINC000629558370 361452721 /nfs/dbraw/zinc/45/27/21/361452721.db2.gz YDIYRYGGVBIIQN-UHFFFAOYSA-N 3 2 242.367 -0.569 20 0 BBADLP C[NH2+]CCOCC[N@@H+](C)Cc1ncnn1C ZINC000629569439 361461663 /nfs/dbraw/zinc/46/16/63/361461663.db2.gz CWRATMSLTMDOMN-UHFFFAOYSA-N 2 2 227.312 -0.517 20 0 BBADLP C[NH2+]CCOCC[N@H+](C)Cc1ncnn1C ZINC000629569439 361461657 /nfs/dbraw/zinc/46/16/57/361461657.db2.gz CWRATMSLTMDOMN-UHFFFAOYSA-N 2 2 227.312 -0.517 20 0 BBADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000629569739 361461509 /nfs/dbraw/zinc/46/15/09/361461509.db2.gz ZAJDNIAMACWTFF-MNOVXSKESA-N 2 2 241.335 -0.473 20 0 BBADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000629569739 361461504 /nfs/dbraw/zinc/46/15/04/361461504.db2.gz ZAJDNIAMACWTFF-MNOVXSKESA-N 2 2 241.335 -0.473 20 0 BBADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000629569741 361461699 /nfs/dbraw/zinc/46/16/99/361461699.db2.gz ZAJDNIAMACWTFF-QWRGUYRKSA-N 2 2 241.335 -0.473 20 0 BBADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000629569741 361461693 /nfs/dbraw/zinc/46/16/93/361461693.db2.gz ZAJDNIAMACWTFF-QWRGUYRKSA-N 2 2 241.335 -0.473 20 0 BBADLP C[NH2+]CCOCC[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000629571713 361462467 /nfs/dbraw/zinc/46/24/67/361462467.db2.gz HVYDQEZCXCBOHT-LLVKDONJSA-N 3 2 231.340 -0.857 20 0 BBADLP C[NH2+]CCOCC[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000629571713 361462466 /nfs/dbraw/zinc/46/24/66/361462466.db2.gz HVYDQEZCXCBOHT-LLVKDONJSA-N 3 2 231.340 -0.857 20 0 BBADLP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000629571716 361463256 /nfs/dbraw/zinc/46/32/56/361463256.db2.gz HVYDQEZCXCBOHT-NSHDSACASA-N 3 2 231.340 -0.857 20 0 BBADLP C[NH2+]CCOCC[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000629571716 361463250 /nfs/dbraw/zinc/46/32/50/361463250.db2.gz HVYDQEZCXCBOHT-NSHDSACASA-N 3 2 231.340 -0.857 20 0 BBADLP CCn1ncnc1C[N@@H+](C)CCOCC[NH2+]C ZINC000629572033 361463851 /nfs/dbraw/zinc/46/38/51/361463851.db2.gz MDVUZRDBONEWEV-UHFFFAOYSA-N 2 2 241.339 -0.034 20 0 BBADLP CCn1ncnc1C[N@H+](C)CCOCC[NH2+]C ZINC000629572033 361463849 /nfs/dbraw/zinc/46/38/49/361463849.db2.gz MDVUZRDBONEWEV-UHFFFAOYSA-N 2 2 241.339 -0.034 20 0 BBADLP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1nnnn1C ZINC000629572253 361463794 /nfs/dbraw/zinc/46/37/94/361463794.db2.gz PNVMGTKHHZJYLO-SECBINFHSA-N 2 2 242.327 -0.561 20 0 BBADLP C[NH2+]CCOCC[N@H+](C)[C@H](C)c1nnnn1C ZINC000629572253 361463793 /nfs/dbraw/zinc/46/37/93/361463793.db2.gz PNVMGTKHHZJYLO-SECBINFHSA-N 2 2 242.327 -0.561 20 0 BBADLP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1nnnn1C ZINC000629572254 361463986 /nfs/dbraw/zinc/46/39/86/361463986.db2.gz PNVMGTKHHZJYLO-VIFPVBQESA-N 2 2 242.327 -0.561 20 0 BBADLP C[NH2+]CCOCC[N@H+](C)[C@@H](C)c1nnnn1C ZINC000629572254 361463985 /nfs/dbraw/zinc/46/39/85/361463985.db2.gz PNVMGTKHHZJYLO-VIFPVBQESA-N 2 2 242.327 -0.561 20 0 BBADLP CO[C@@H]1COC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629579490 361465903 /nfs/dbraw/zinc/46/59/03/361465903.db2.gz DSRUJAOXORHIFJ-GRYCIOLGSA-N 2 2 244.335 -0.554 20 0 BBADLP CO[C@@H]1COC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629579491 361466309 /nfs/dbraw/zinc/46/63/09/361466309.db2.gz DSRUJAOXORHIFJ-SDDRHHMPSA-N 2 2 244.335 -0.554 20 0 BBADLP C[N@@H+](CCOCC[NH3+])CC(=O)Nc1ccon1 ZINC000629580194 412215492 /nfs/dbraw/zinc/21/54/92/412215492.db2.gz UNGBNARKZSWBDN-UHFFFAOYSA-N 2 2 242.279 -0.480 20 0 BBADLP C[N@H+](CCOCC[NH3+])CC(=O)Nc1ccon1 ZINC000629580194 412215488 /nfs/dbraw/zinc/21/54/88/412215488.db2.gz UNGBNARKZSWBDN-UHFFFAOYSA-N 2 2 242.279 -0.480 20 0 BBADLP CN(C)c1noc(C[N@@H+](C)CCOCC[NH3+])n1 ZINC000629581063 361470994 /nfs/dbraw/zinc/47/09/94/361470994.db2.gz LSICVBOJNZGUBV-UHFFFAOYSA-N 2 2 243.311 -0.457 20 0 BBADLP CN(C)c1noc(C[N@H+](C)CCOCC[NH3+])n1 ZINC000629581063 361470991 /nfs/dbraw/zinc/47/09/91/361470991.db2.gz LSICVBOJNZGUBV-UHFFFAOYSA-N 2 2 243.311 -0.457 20 0 BBADLP C[C@H](c1nnnn1C)[N@@H+](C)CCOCC[NH3+] ZINC000629581108 361471617 /nfs/dbraw/zinc/47/16/17/361471617.db2.gz NLYFKNQLDTXVBZ-MRVPVSSYSA-N 2 2 228.300 -0.822 20 0 BBADLP C[C@H](c1nnnn1C)[N@H+](C)CCOCC[NH3+] ZINC000629581108 361471614 /nfs/dbraw/zinc/47/16/14/361471614.db2.gz NLYFKNQLDTXVBZ-MRVPVSSYSA-N 2 2 228.300 -0.822 20 0 BBADLP C[C@@H](c1nnnn1C)[N@@H+](C)CCOCC[NH3+] ZINC000629581109 361471309 /nfs/dbraw/zinc/47/13/09/361471309.db2.gz NLYFKNQLDTXVBZ-QMMMGPOBSA-N 2 2 228.300 -0.822 20 0 BBADLP C[C@@H](c1nnnn1C)[N@H+](C)CCOCC[NH3+] ZINC000629581109 361471303 /nfs/dbraw/zinc/47/13/03/361471303.db2.gz NLYFKNQLDTXVBZ-QMMMGPOBSA-N 2 2 228.300 -0.822 20 0 BBADLP C[N@@H+](C[C@@H]1C[NH2+]CCO1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629582566 361473005 /nfs/dbraw/zinc/47/30/05/361473005.db2.gz UXEBFQBUTVSYOB-AEJSXWLSSA-N 2 2 227.308 -0.830 20 0 BBADLP C[N@H+](C[C@@H]1C[NH2+]CCO1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629582566 361473001 /nfs/dbraw/zinc/47/30/01/361473001.db2.gz UXEBFQBUTVSYOB-AEJSXWLSSA-N 2 2 227.308 -0.830 20 0 BBADLP C[N@@H+](C[C@H]1C[NH2+]CCO1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629582567 361472509 /nfs/dbraw/zinc/47/25/09/361472509.db2.gz UXEBFQBUTVSYOB-KXUCPTDWSA-N 2 2 227.308 -0.830 20 0 BBADLP C[N@H+](C[C@H]1C[NH2+]CCO1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629582567 361472503 /nfs/dbraw/zinc/47/25/03/361472503.db2.gz UXEBFQBUTVSYOB-KXUCPTDWSA-N 2 2 227.308 -0.830 20 0 BBADLP C[NH2+]CCC[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000629583401 361467145 /nfs/dbraw/zinc/46/71/45/361467145.db2.gz BFODCTUIEYQXND-SECBINFHSA-N 2 2 215.297 -0.828 20 0 BBADLP C[NH2+]CCC[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000629583401 361467137 /nfs/dbraw/zinc/46/71/37/361467137.db2.gz BFODCTUIEYQXND-SECBINFHSA-N 2 2 215.297 -0.828 20 0 BBADLP C[NH2+]CCC[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000629583402 361468351 /nfs/dbraw/zinc/46/83/51/361468351.db2.gz BFODCTUIEYQXND-VIFPVBQESA-N 2 2 215.297 -0.828 20 0 BBADLP C[NH2+]CCC[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000629583402 361468346 /nfs/dbraw/zinc/46/83/46/361468346.db2.gz BFODCTUIEYQXND-VIFPVBQESA-N 2 2 215.297 -0.828 20 0 BBADLP NC(=O)C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000629584107 361469493 /nfs/dbraw/zinc/46/94/93/361469493.db2.gz OHYNKKCPKXILOP-GHMZBOCLSA-N 2 2 241.335 -0.438 20 0 BBADLP NC(=O)C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000629584107 361469490 /nfs/dbraw/zinc/46/94/90/361469490.db2.gz OHYNKKCPKXILOP-GHMZBOCLSA-N 2 2 241.335 -0.438 20 0 BBADLP NC(=O)C[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000629584108 361468945 /nfs/dbraw/zinc/46/89/45/361468945.db2.gz OHYNKKCPKXILOP-MNOVXSKESA-N 2 2 241.335 -0.438 20 0 BBADLP NC(=O)C[C@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000629584108 361468939 /nfs/dbraw/zinc/46/89/39/361468939.db2.gz OHYNKKCPKXILOP-MNOVXSKESA-N 2 2 241.335 -0.438 20 0 BBADLP NC(=O)C[C@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000629584110 361469134 /nfs/dbraw/zinc/46/91/34/361469134.db2.gz OHYNKKCPKXILOP-QWRGUYRKSA-N 2 2 241.335 -0.438 20 0 BBADLP NC(=O)C[C@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000629584110 361469128 /nfs/dbraw/zinc/46/91/28/361469128.db2.gz OHYNKKCPKXILOP-QWRGUYRKSA-N 2 2 241.335 -0.438 20 0 BBADLP NC(=O)C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000629584112 361469270 /nfs/dbraw/zinc/46/92/70/361469270.db2.gz OHYNKKCPKXILOP-WDEREUQCSA-N 2 2 241.335 -0.438 20 0 BBADLP NC(=O)C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000629584112 361469265 /nfs/dbraw/zinc/46/92/65/361469265.db2.gz OHYNKKCPKXILOP-WDEREUQCSA-N 2 2 241.335 -0.438 20 0 BBADLP CNC(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593144 361484893 /nfs/dbraw/zinc/48/48/93/361484893.db2.gz GANUOUUNTXFWFS-PHIMTYICSA-N 2 2 211.309 -0.336 20 0 BBADLP CNC(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593144 361484889 /nfs/dbraw/zinc/48/48/89/361484889.db2.gz GANUOUUNTXFWFS-PHIMTYICSA-N 2 2 211.309 -0.336 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593179 361485360 /nfs/dbraw/zinc/48/53/60/361485360.db2.gz HJVLFTCLKSYNDG-FRRDWIJNSA-N 3 2 241.379 -0.112 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593179 361485354 /nfs/dbraw/zinc/48/53/54/361485354.db2.gz HJVLFTCLKSYNDG-FRRDWIJNSA-N 3 2 241.379 -0.112 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593180 361484587 /nfs/dbraw/zinc/48/45/87/361484587.db2.gz HJVLFTCLKSYNDG-XQQFMLRXSA-N 3 2 241.379 -0.112 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593180 361484585 /nfs/dbraw/zinc/48/45/85/361484585.db2.gz HJVLFTCLKSYNDG-XQQFMLRXSA-N 3 2 241.379 -0.112 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCO[C@](C)(COC)C1 ZINC000629594571 361486426 /nfs/dbraw/zinc/48/64/26/361486426.db2.gz DVGRVAFUYYROIJ-NEPJUHHUSA-N 2 2 246.351 -0.306 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCO[C@](C)(COC)C1 ZINC000629594571 361486419 /nfs/dbraw/zinc/48/64/19/361486419.db2.gz DVGRVAFUYYROIJ-NEPJUHHUSA-N 2 2 246.351 -0.306 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCO[C@@](C)(COC)C1 ZINC000629594572 361486752 /nfs/dbraw/zinc/48/67/52/361486752.db2.gz DVGRVAFUYYROIJ-NWDGAFQWSA-N 2 2 246.351 -0.306 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCO[C@@](C)(COC)C1 ZINC000629594572 361486747 /nfs/dbraw/zinc/48/67/47/361486747.db2.gz DVGRVAFUYYROIJ-NWDGAFQWSA-N 2 2 246.351 -0.306 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCO[C@](C)(COC)C1 ZINC000629594573 361486167 /nfs/dbraw/zinc/48/61/67/361486167.db2.gz DVGRVAFUYYROIJ-RYUDHWBXSA-N 2 2 246.351 -0.306 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCO[C@](C)(COC)C1 ZINC000629594573 361486163 /nfs/dbraw/zinc/48/61/63/361486163.db2.gz DVGRVAFUYYROIJ-RYUDHWBXSA-N 2 2 246.351 -0.306 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCO[C@@](C)(COC)C1 ZINC000629594574 361486333 /nfs/dbraw/zinc/48/63/33/361486333.db2.gz DVGRVAFUYYROIJ-VXGBXAGGSA-N 2 2 246.351 -0.306 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCO[C@@](C)(COC)C1 ZINC000629594574 361486330 /nfs/dbraw/zinc/48/63/30/361486330.db2.gz DVGRVAFUYYROIJ-VXGBXAGGSA-N 2 2 246.351 -0.306 20 0 BBADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000629595760 361483190 /nfs/dbraw/zinc/48/31/90/361483190.db2.gz WZEBZXZFOHMFSD-NXEZZACHSA-N 2 2 249.380 -0.405 20 0 BBADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000629595760 361483186 /nfs/dbraw/zinc/48/31/86/361483186.db2.gz WZEBZXZFOHMFSD-NXEZZACHSA-N 2 2 249.380 -0.405 20 0 BBADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000629595761 361483035 /nfs/dbraw/zinc/48/30/35/361483035.db2.gz WZEBZXZFOHMFSD-UWVGGRQHSA-N 2 2 249.380 -0.405 20 0 BBADLP CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 ZINC000629595761 361483031 /nfs/dbraw/zinc/48/30/31/361483031.db2.gz WZEBZXZFOHMFSD-UWVGGRQHSA-N 2 2 249.380 -0.405 20 0 BBADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000629595762 361483981 /nfs/dbraw/zinc/48/39/81/361483981.db2.gz WZEBZXZFOHMFSD-VHSXEESVSA-N 2 2 249.380 -0.405 20 0 BBADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 ZINC000629595762 361483978 /nfs/dbraw/zinc/48/39/78/361483978.db2.gz WZEBZXZFOHMFSD-VHSXEESVSA-N 2 2 249.380 -0.405 20 0 BBADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000629595763 361483660 /nfs/dbraw/zinc/48/36/60/361483660.db2.gz WZEBZXZFOHMFSD-ZJUUUORDSA-N 2 2 249.380 -0.405 20 0 BBADLP CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000629595763 361483656 /nfs/dbraw/zinc/48/36/56/361483656.db2.gz WZEBZXZFOHMFSD-ZJUUUORDSA-N 2 2 249.380 -0.405 20 0 BBADLP C[C@H](C(N)=O)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629595868 361483504 /nfs/dbraw/zinc/48/35/04/361483504.db2.gz SFJDDNJFHLWWFJ-IEBDPFPHSA-N 2 2 211.309 -0.208 20 0 BBADLP C[C@H](C(N)=O)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629595868 361483501 /nfs/dbraw/zinc/48/35/01/361483501.db2.gz SFJDDNJFHLWWFJ-IEBDPFPHSA-N 2 2 211.309 -0.208 20 0 BBADLP C[C@@H](C(N)=O)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629595869 361483348 /nfs/dbraw/zinc/48/33/48/361483348.db2.gz SFJDDNJFHLWWFJ-INTQDDNPSA-N 2 2 211.309 -0.208 20 0 BBADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629595869 361483345 /nfs/dbraw/zinc/48/33/45/361483345.db2.gz SFJDDNJFHLWWFJ-INTQDDNPSA-N 2 2 211.309 -0.208 20 0 BBADLP C[C@H](O)C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000629601167 361492098 /nfs/dbraw/zinc/49/20/98/361492098.db2.gz ANMBYVQFROVSAN-UWVGGRQHSA-N 2 2 229.324 -0.703 20 0 BBADLP C[C@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000629601167 361492095 /nfs/dbraw/zinc/49/20/95/361492095.db2.gz ANMBYVQFROVSAN-UWVGGRQHSA-N 2 2 229.324 -0.703 20 0 BBADLP C[C@@H](O)C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000629601173 361492109 /nfs/dbraw/zinc/49/21/09/361492109.db2.gz ANMBYVQFROVSAN-ZJUUUORDSA-N 2 2 229.324 -0.703 20 0 BBADLP C[C@@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000629601173 361492106 /nfs/dbraw/zinc/49/21/06/361492106.db2.gz ANMBYVQFROVSAN-ZJUUUORDSA-N 2 2 229.324 -0.703 20 0 BBADLP CC[C@@H](O)C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000629609960 361498120 /nfs/dbraw/zinc/49/81/20/361498120.db2.gz YNFXWGLEFYDLJZ-MNOVXSKESA-N 2 2 243.351 -0.313 20 0 BBADLP CC[C@@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000629609960 361498114 /nfs/dbraw/zinc/49/81/14/361498114.db2.gz YNFXWGLEFYDLJZ-MNOVXSKESA-N 2 2 243.351 -0.313 20 0 BBADLP CC[C@H](O)C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000629609962 361498180 /nfs/dbraw/zinc/49/81/80/361498180.db2.gz YNFXWGLEFYDLJZ-QWRGUYRKSA-N 2 2 243.351 -0.313 20 0 BBADLP CC[C@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000629609962 361498173 /nfs/dbraw/zinc/49/81/73/361498173.db2.gz YNFXWGLEFYDLJZ-QWRGUYRKSA-N 2 2 243.351 -0.313 20 0 BBADLP [NH3+]C[C@@H]1C[N@@H+](CC2=CCCOC2)CCO1 ZINC000629647234 361536618 /nfs/dbraw/zinc/53/66/18/361536618.db2.gz NQSMAVJBFTWHHH-LLVKDONJSA-N 2 2 212.293 -0.007 20 0 BBADLP [NH3+]C[C@@H]1C[N@H+](CC2=CCCOC2)CCO1 ZINC000629647234 361536616 /nfs/dbraw/zinc/53/66/16/361536616.db2.gz NQSMAVJBFTWHHH-LLVKDONJSA-N 2 2 212.293 -0.007 20 0 BBADLP [NH3+]C[C@H]1C[N@@H+](CC2=CCCOC2)CCO1 ZINC000629647235 361536644 /nfs/dbraw/zinc/53/66/44/361536644.db2.gz NQSMAVJBFTWHHH-NSHDSACASA-N 2 2 212.293 -0.007 20 0 BBADLP [NH3+]C[C@H]1C[N@H+](CC2=CCCOC2)CCO1 ZINC000629647235 361536641 /nfs/dbraw/zinc/53/66/41/361536641.db2.gz NQSMAVJBFTWHHH-NSHDSACASA-N 2 2 212.293 -0.007 20 0 BBADLP C1=C(C[NH2+]C[C@H]2C[NH2+]CCO2)COCC1 ZINC000629648740 361542156 /nfs/dbraw/zinc/54/21/56/361542156.db2.gz TZPYDIYKJQCXHW-LLVKDONJSA-N 2 2 212.293 -0.089 20 0 BBADLP C1=C(C[NH2+]C[C@@H]2C[NH2+]CCO2)COCC1 ZINC000629648741 361542495 /nfs/dbraw/zinc/54/24/95/361542495.db2.gz TZPYDIYKJQCXHW-NSHDSACASA-N 2 2 212.293 -0.089 20 0 BBADLP C[NH2+]CCOCC[N@@H+](C)Cc1cn(C)nn1 ZINC000629652776 361551639 /nfs/dbraw/zinc/55/16/39/361551639.db2.gz DZWVLCULBRASIJ-UHFFFAOYSA-N 2 2 227.312 -0.517 20 0 BBADLP C[NH2+]CCOCC[N@H+](C)Cc1cn(C)nn1 ZINC000629652776 361551635 /nfs/dbraw/zinc/55/16/35/361551635.db2.gz DZWVLCULBRASIJ-UHFFFAOYSA-N 2 2 227.312 -0.517 20 0 BBADLP C[NH2+]CCOCC[N@@H+](C)CC(C)(C)[NH3+] ZINC000629654245 361554078 /nfs/dbraw/zinc/55/40/78/361554078.db2.gz ONKBFPAZTGKPLZ-UHFFFAOYSA-N 3 2 203.330 -0.109 20 0 BBADLP C[NH2+]CCOCC[N@H+](C)CC(C)(C)[NH3+] ZINC000629654245 361554077 /nfs/dbraw/zinc/55/40/77/361554077.db2.gz ONKBFPAZTGKPLZ-UHFFFAOYSA-N 3 2 203.330 -0.109 20 0 BBADLP C[NH2+]CCOCC[N@@H+](C)Cc1cnnn1C ZINC000629654969 361558927 /nfs/dbraw/zinc/55/89/27/361558927.db2.gz UYAWHRYTSXWBKL-UHFFFAOYSA-N 2 2 227.312 -0.517 20 0 BBADLP C[NH2+]CCOCC[N@H+](C)Cc1cnnn1C ZINC000629654969 361558921 /nfs/dbraw/zinc/55/89/21/361558921.db2.gz UYAWHRYTSXWBKL-UHFFFAOYSA-N 2 2 227.312 -0.517 20 0 BBADLP C[C@@]1(C[N@H+]2CCO[C@@H](CC(N)=O)C2)CC[NH2+]C1 ZINC000629667928 361589054 /nfs/dbraw/zinc/58/90/54/361589054.db2.gz WMKGSDLMLSGLQX-CMPLNLGQSA-N 2 2 241.335 -0.438 20 0 BBADLP C[C@@]1(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)CC[NH2+]C1 ZINC000629667928 361589052 /nfs/dbraw/zinc/58/90/52/361589052.db2.gz WMKGSDLMLSGLQX-CMPLNLGQSA-N 2 2 241.335 -0.438 20 0 BBADLP C[C@]1(C[N@H+]2CCO[C@@H](CC(N)=O)C2)CC[NH2+]C1 ZINC000629667929 361588798 /nfs/dbraw/zinc/58/87/98/361588798.db2.gz WMKGSDLMLSGLQX-JQWIXIFHSA-N 2 2 241.335 -0.438 20 0 BBADLP C[C@]1(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)CC[NH2+]C1 ZINC000629667929 361588792 /nfs/dbraw/zinc/58/87/92/361588792.db2.gz WMKGSDLMLSGLQX-JQWIXIFHSA-N 2 2 241.335 -0.438 20 0 BBADLP C[C@]1(C[N@H+]2CCO[C@H](CC(N)=O)C2)CC[NH2+]C1 ZINC000629667930 361589026 /nfs/dbraw/zinc/58/90/26/361589026.db2.gz WMKGSDLMLSGLQX-PWSUYJOCSA-N 2 2 241.335 -0.438 20 0 BBADLP C[C@]1(C[N@@H+]2CCO[C@H](CC(N)=O)C2)CC[NH2+]C1 ZINC000629667930 361589021 /nfs/dbraw/zinc/58/90/21/361589021.db2.gz WMKGSDLMLSGLQX-PWSUYJOCSA-N 2 2 241.335 -0.438 20 0 BBADLP C[C@@]1(C[N@H+]2CCO[C@H](CC(N)=O)C2)CC[NH2+]C1 ZINC000629667931 361588606 /nfs/dbraw/zinc/58/86/06/361588606.db2.gz WMKGSDLMLSGLQX-ZYHUDNBSSA-N 2 2 241.335 -0.438 20 0 BBADLP C[C@@]1(C[N@@H+]2CCO[C@H](CC(N)=O)C2)CC[NH2+]C1 ZINC000629667931 361588601 /nfs/dbraw/zinc/58/86/01/361588601.db2.gz WMKGSDLMLSGLQX-ZYHUDNBSSA-N 2 2 241.335 -0.438 20 0 BBADLP C[C@H]1C[NH2+]C[C@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629678862 361600276 /nfs/dbraw/zinc/60/02/76/361600276.db2.gz MIOKRYDEVZWTGI-GHMZBOCLSA-N 3 2 215.341 -0.061 20 0 BBADLP C[C@H]1C[NH2+]C[C@@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629678863 361600227 /nfs/dbraw/zinc/60/02/27/361600227.db2.gz MIOKRYDEVZWTGI-MNOVXSKESA-N 3 2 215.341 -0.061 20 0 BBADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629678864 361600729 /nfs/dbraw/zinc/60/07/29/361600729.db2.gz MIOKRYDEVZWTGI-QWRGUYRKSA-N 3 2 215.341 -0.061 20 0 BBADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629678865 361600341 /nfs/dbraw/zinc/60/03/41/361600341.db2.gz MIOKRYDEVZWTGI-WDEREUQCSA-N 3 2 215.341 -0.061 20 0 BBADLP [NH3+]CCCOCC[NH2+][C@H]1CCC[NH2+]C1 ZINC000629681774 361602910 /nfs/dbraw/zinc/60/29/10/361602910.db2.gz UMBSYBVPINEXCX-JTQLQIEISA-N 3 2 201.314 -0.307 20 0 BBADLP [NH3+]CCCOCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC000629681778 361602728 /nfs/dbraw/zinc/60/27/28/361602728.db2.gz UMBSYBVPINEXCX-SNVBAGLBSA-N 3 2 201.314 -0.307 20 0 BBADLP C[NH+](C)C1(C(=O)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000629917674 361772707 /nfs/dbraw/zinc/77/27/07/361772707.db2.gz KDBIOSPSNDBECG-JTQLQIEISA-N 2 2 241.335 -0.737 20 0 BBADLP C[NH+](C)C1(C(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000629917674 361772706 /nfs/dbraw/zinc/77/27/06/361772706.db2.gz KDBIOSPSNDBECG-JTQLQIEISA-N 2 2 241.335 -0.737 20 0 BBADLP COc1c(N)[nH+]cnc1N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000630386320 364099570 /nfs/dbraw/zinc/09/95/70/364099570.db2.gz XGQJLHHFKYBRPK-BQBZGAKWSA-N 2 2 221.264 -0.382 20 0 BBADLP NC(=[NH2+])NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000630387186 364102130 /nfs/dbraw/zinc/10/21/30/364102130.db2.gz JMUJQWJXQSNNBW-LLVKDONJSA-N 2 2 249.318 -0.235 20 0 BBADLP NC(=[NH2+])NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000630387186 364102125 /nfs/dbraw/zinc/10/21/25/364102125.db2.gz JMUJQWJXQSNNBW-LLVKDONJSA-N 2 2 249.318 -0.235 20 0 BBADLP NC(=[NH2+])NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000630387187 364101870 /nfs/dbraw/zinc/10/18/70/364101870.db2.gz JMUJQWJXQSNNBW-NSHDSACASA-N 2 2 249.318 -0.235 20 0 BBADLP NC(=[NH2+])NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000630387187 364101864 /nfs/dbraw/zinc/10/18/64/364101864.db2.gz JMUJQWJXQSNNBW-NSHDSACASA-N 2 2 249.318 -0.235 20 0 BBADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(N)=[NH2+] ZINC000630387561 364101705 /nfs/dbraw/zinc/10/17/05/364101705.db2.gz TTYSRZNJINXJQR-LLVKDONJSA-N 2 2 242.323 -0.915 20 0 BBADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(N)=[NH2+] ZINC000630387561 364101700 /nfs/dbraw/zinc/10/17/00/364101700.db2.gz TTYSRZNJINXJQR-LLVKDONJSA-N 2 2 242.323 -0.915 20 0 BBADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(N)=[NH2+] ZINC000630387564 364102522 /nfs/dbraw/zinc/10/25/22/364102522.db2.gz TTYSRZNJINXJQR-NSHDSACASA-N 2 2 242.323 -0.915 20 0 BBADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(N)=[NH2+] ZINC000630387564 364102515 /nfs/dbraw/zinc/10/25/15/364102515.db2.gz TTYSRZNJINXJQR-NSHDSACASA-N 2 2 242.323 -0.915 20 0 BBADLP C[C@H](O)CNc1cc(N2C[C@@H]3C[C@H]2C[NH2+]3)nc[nH+]1 ZINC000630553526 364248956 /nfs/dbraw/zinc/24/89/56/364248956.db2.gz JIXUOQUAVMQLJI-GUBZILKMSA-N 2 2 249.318 -0.180 20 0 BBADLP C[C@@H](O)CNc1cc(N2C[C@@H]3C[C@H]2C[NH2+]3)nc[nH+]1 ZINC000630553527 364248862 /nfs/dbraw/zinc/24/88/62/364248862.db2.gz JIXUOQUAVMQLJI-UTLUCORTSA-N 2 2 249.318 -0.180 20 0 BBADLP C[N@@H+](CCO)Cc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630604479 364328920 /nfs/dbraw/zinc/32/89/20/364328920.db2.gz SHAIICOKPUQVRC-JTQLQIEISA-N 2 2 239.323 -0.546 20 0 BBADLP C[N@H+](CCO)Cc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630604479 364328916 /nfs/dbraw/zinc/32/89/16/364328916.db2.gz SHAIICOKPUQVRC-JTQLQIEISA-N 2 2 239.323 -0.546 20 0 BBADLP C[N@@H+](CCO)Cc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630604481 364328676 /nfs/dbraw/zinc/32/86/76/364328676.db2.gz SHAIICOKPUQVRC-SNVBAGLBSA-N 2 2 239.323 -0.546 20 0 BBADLP C[N@H+](CCO)Cc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630604481 364328672 /nfs/dbraw/zinc/32/86/72/364328672.db2.gz SHAIICOKPUQVRC-SNVBAGLBSA-N 2 2 239.323 -0.546 20 0 BBADLP C[NH+](C)CCC[N@@H+](C)CCn1cc(CO)nn1 ZINC000630612781 364344865 /nfs/dbraw/zinc/34/48/65/364344865.db2.gz YZWGYKDIHNEOIJ-UHFFFAOYSA-N 2 2 241.339 -0.346 20 0 BBADLP C[NH+](C)CCC[N@H+](C)CCn1cc(CO)nn1 ZINC000630612781 364344860 /nfs/dbraw/zinc/34/48/60/364344860.db2.gz YZWGYKDIHNEOIJ-UHFFFAOYSA-N 2 2 241.339 -0.346 20 0 BBADLP CCN(CC[NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000631000625 369586291 /nfs/dbraw/zinc/58/62/91/369586291.db2.gz WLCVIDDGJZJYIR-UHFFFAOYSA-N 2 2 244.339 -0.691 20 0 BBADLP Cc1nc(NC[C@H](C2CC2)[NH+](C)C)nc(N)[nH+]1 ZINC000631102099 411943801 /nfs/dbraw/zinc/94/38/01/411943801.db2.gz NQTIXLFKIXSFTA-SECBINFHSA-N 2 2 236.323 -0.064 20 0 BBADLP Cc1nc(NC[C@@H](C2CC2)[NH+](C)C)nc(N)[nH+]1 ZINC000631102103 411943586 /nfs/dbraw/zinc/94/35/86/411943586.db2.gz NQTIXLFKIXSFTA-VIFPVBQESA-N 2 2 236.323 -0.064 20 0 BBADLP O=c1ccc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)c[nH]1 ZINC000631182925 357235823 /nfs/dbraw/zinc/23/58/23/357235823.db2.gz FVAQQHDZCQOYJL-LLVKDONJSA-N 2 2 237.303 -0.057 20 0 BBADLP O=c1ccc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)c[nH]1 ZINC000631182925 357235818 /nfs/dbraw/zinc/23/58/18/357235818.db2.gz FVAQQHDZCQOYJL-LLVKDONJSA-N 2 2 237.303 -0.057 20 0 BBADLP O=c1ccc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)c[nH]1 ZINC000631184728 358474571 /nfs/dbraw/zinc/47/45/71/358474571.db2.gz FVAQQHDZCQOYJL-NSHDSACASA-N 2 2 237.303 -0.057 20 0 BBADLP O=c1ccc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)c[nH]1 ZINC000631184728 358474565 /nfs/dbraw/zinc/47/45/65/358474565.db2.gz FVAQQHDZCQOYJL-NSHDSACASA-N 2 2 237.303 -0.057 20 0 BBADLP O[C@@H]1COC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000631201022 360853803 /nfs/dbraw/zinc/85/38/03/360853803.db2.gz OVGYPABKFCTUQH-VHSXEESVSA-N 2 2 223.276 -0.321 20 0 BBADLP Cc1[nH+]cc(C[NH2+][C@@H]2COC[C@@H]2O)n1C ZINC000631202118 372233937 /nfs/dbraw/zinc/23/39/37/372233937.db2.gz YHJNIBYMHANNMW-ZJUUUORDSA-N 2 2 211.265 -0.422 20 0 BBADLP CNS(=O)(=O)CCC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000631229030 361682837 /nfs/dbraw/zinc/68/28/37/361682837.db2.gz GEQBTRJIWRDKOV-NXEZZACHSA-N 2 2 249.380 -0.535 20 0 BBADLP CNS(=O)(=O)CCC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000631229030 361682832 /nfs/dbraw/zinc/68/28/32/361682832.db2.gz GEQBTRJIWRDKOV-NXEZZACHSA-N 2 2 249.380 -0.535 20 0 BBADLP CNS(=O)(=O)CCC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000631229033 361683001 /nfs/dbraw/zinc/68/30/01/361683001.db2.gz GEQBTRJIWRDKOV-UWVGGRQHSA-N 2 2 249.380 -0.535 20 0 BBADLP CNS(=O)(=O)CCC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000631229033 361682997 /nfs/dbraw/zinc/68/29/97/361682997.db2.gz GEQBTRJIWRDKOV-UWVGGRQHSA-N 2 2 249.380 -0.535 20 0 BBADLP CNS(=O)(=O)CCC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000631229036 361683018 /nfs/dbraw/zinc/68/30/18/361683018.db2.gz GEQBTRJIWRDKOV-VHSXEESVSA-N 2 2 249.380 -0.535 20 0 BBADLP CNS(=O)(=O)CCC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000631229036 361683013 /nfs/dbraw/zinc/68/30/13/361683013.db2.gz GEQBTRJIWRDKOV-VHSXEESVSA-N 2 2 249.380 -0.535 20 0 BBADLP CNS(=O)(=O)CCC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000631229038 361683217 /nfs/dbraw/zinc/68/32/17/361683217.db2.gz GEQBTRJIWRDKOV-ZJUUUORDSA-N 2 2 249.380 -0.535 20 0 BBADLP CNS(=O)(=O)CCC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000631229038 361683212 /nfs/dbraw/zinc/68/32/12/361683212.db2.gz GEQBTRJIWRDKOV-ZJUUUORDSA-N 2 2 249.380 -0.535 20 0 BBADLP Cc1nc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)nc(N)[nH+]1 ZINC000631250138 644150818 /nfs/dbraw/zinc/15/08/18/644150818.db2.gz GVDRQYHLTSZXGM-DTORHVGOSA-N 2 2 234.307 -0.240 20 0 BBADLP Cc1nc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)nc(N)[nH+]1 ZINC000631250138 644150810 /nfs/dbraw/zinc/15/08/10/644150810.db2.gz GVDRQYHLTSZXGM-DTORHVGOSA-N 2 2 234.307 -0.240 20 0 BBADLP C[N@H+]1CC[C@@H]2CN(c3nc(N)nc(N)[nH+]3)C[C@@H]2C1 ZINC000631327514 372296911 /nfs/dbraw/zinc/29/69/11/372296911.db2.gz QIMLHIBABBYJKR-SFYZADRCSA-N 2 2 249.322 -0.915 20 0 BBADLP C[N@@H+]1CC[C@@H]2CN(c3nc(N)nc(N)[nH+]3)C[C@@H]2C1 ZINC000631327514 372296906 /nfs/dbraw/zinc/29/69/06/372296906.db2.gz QIMLHIBABBYJKR-SFYZADRCSA-N 2 2 249.322 -0.915 20 0 BBADLP C[N@H+]1CCN(c2nc(N)[nH+]c(N)n2)CC1(C)C ZINC000631334841 372300397 /nfs/dbraw/zinc/30/03/97/372300397.db2.gz PMYJAWPALZYAOH-UHFFFAOYSA-N 2 2 237.311 -0.773 20 0 BBADLP C[N@@H+]1CCN(c2nc(N)[nH+]c(N)n2)CC1(C)C ZINC000631334841 372300390 /nfs/dbraw/zinc/30/03/90/372300390.db2.gz PMYJAWPALZYAOH-UHFFFAOYSA-N 2 2 237.311 -0.773 20 0 BBADLP Cc1nc(N)nc(NC[C@H]2C[C@@H]([NH+](C)C)C2)[nH+]1 ZINC000631344998 411942296 /nfs/dbraw/zinc/94/22/96/411942296.db2.gz BNZCAYURMFFSGU-KYZUINATSA-N 2 2 236.323 -0.064 20 0 BBADLP Cc1nc(NC[C@H]2C[C@@H]([NH+](C)C)C2)nc(N)[nH+]1 ZINC000631344998 411942290 /nfs/dbraw/zinc/94/22/90/411942290.db2.gz BNZCAYURMFFSGU-KYZUINATSA-N 2 2 236.323 -0.064 20 0 BBADLP Cc1nc(N)nc(N(C)CC2C[NH+](C)C2)[nH+]1 ZINC000631358448 411937660 /nfs/dbraw/zinc/93/76/60/411937660.db2.gz RJEOLEJAYSNODC-UHFFFAOYSA-N 2 2 222.296 -0.240 20 0 BBADLP Cc1nc(N(C)CC2C[NH+](C)C2)nc(N)[nH+]1 ZINC000631358448 411937653 /nfs/dbraw/zinc/93/76/53/411937653.db2.gz RJEOLEJAYSNODC-UHFFFAOYSA-N 2 2 222.296 -0.240 20 0 BBADLP Cc1nc(N)nc(NCC[C@@H](C)[NH+](C)C)[nH+]1 ZINC000631363588 411942610 /nfs/dbraw/zinc/94/26/10/411942610.db2.gz FRCLPOABSKPVHV-SSDOTTSWSA-N 2 2 224.312 -0.064 20 0 BBADLP Cc1nc(NCC[C@@H](C)[NH+](C)C)nc(N)[nH+]1 ZINC000631363588 411942603 /nfs/dbraw/zinc/94/26/03/411942603.db2.gz FRCLPOABSKPVHV-SSDOTTSWSA-N 2 2 224.312 -0.064 20 0 BBADLP Cc1nc(N)nc(NCC[C@H](C)[NH+](C)C)[nH+]1 ZINC000631363589 411941694 /nfs/dbraw/zinc/94/16/94/411941694.db2.gz FRCLPOABSKPVHV-ZETCQYMHSA-N 2 2 224.312 -0.064 20 0 BBADLP Cc1nc(NCC[C@H](C)[NH+](C)C)nc(N)[nH+]1 ZINC000631363589 411941689 /nfs/dbraw/zinc/94/16/89/411941689.db2.gz FRCLPOABSKPVHV-ZETCQYMHSA-N 2 2 224.312 -0.064 20 0 BBADLP C[NH+](C)CCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000631635487 351327486 /nfs/dbraw/zinc/32/74/86/351327486.db2.gz LTXQBPOACSJYRS-UHFFFAOYSA-N 2 2 249.380 -0.485 20 0 BBADLP C[NH+](C)CCNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631639020 372475574 /nfs/dbraw/zinc/47/55/74/372475574.db2.gz ITQPXYHTRURTBK-UHFFFAOYSA-N 2 2 249.380 -0.438 20 0 BBADLP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631820859 372582773 /nfs/dbraw/zinc/58/27/73/372582773.db2.gz ITCILYHZHSTQHK-BDAKNGLRSA-N 2 2 207.281 -0.202 20 0 BBADLP [NH3+][C@@H]1CC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631820859 372582767 /nfs/dbraw/zinc/58/27/67/372582767.db2.gz ITCILYHZHSTQHK-BDAKNGLRSA-N 2 2 207.281 -0.202 20 0 BBADLP [NH3+][C@H]1CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631820860 372583126 /nfs/dbraw/zinc/58/31/26/372583126.db2.gz ITCILYHZHSTQHK-DTWKUNHWSA-N 2 2 207.281 -0.202 20 0 BBADLP [NH3+][C@H]1CC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631820860 372583119 /nfs/dbraw/zinc/58/31/19/372583119.db2.gz ITCILYHZHSTQHK-DTWKUNHWSA-N 2 2 207.281 -0.202 20 0 BBADLP [NH3+][C@H]1CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631820861 372582840 /nfs/dbraw/zinc/58/28/40/372582840.db2.gz ITCILYHZHSTQHK-IUCAKERBSA-N 2 2 207.281 -0.202 20 0 BBADLP [NH3+][C@H]1CC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631820861 372582836 /nfs/dbraw/zinc/58/28/36/372582836.db2.gz ITCILYHZHSTQHK-IUCAKERBSA-N 2 2 207.281 -0.202 20 0 BBADLP [NH3+][C@@H]1CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631820862 372582650 /nfs/dbraw/zinc/58/26/50/372582650.db2.gz ITCILYHZHSTQHK-RKDXNWHRSA-N 2 2 207.281 -0.202 20 0 BBADLP [NH3+][C@@H]1CC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631820862 372582646 /nfs/dbraw/zinc/58/26/46/372582646.db2.gz ITCILYHZHSTQHK-RKDXNWHRSA-N 2 2 207.281 -0.202 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH3+])[C@@H]1CCN(C2CCC2)C1=O ZINC000631827133 372605889 /nfs/dbraw/zinc/60/58/89/372605889.db2.gz GICGBQRVJGISHQ-GHMZBOCLSA-N 2 2 241.335 -0.609 20 0 BBADLP C[N@H+](C[C@H](O)C[NH3+])[C@@H]1CCN(C2CCC2)C1=O ZINC000631827133 372605886 /nfs/dbraw/zinc/60/58/86/372605886.db2.gz GICGBQRVJGISHQ-GHMZBOCLSA-N 2 2 241.335 -0.609 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH3+])[C@H]1CCN(C2CCC2)C1=O ZINC000631827134 372605442 /nfs/dbraw/zinc/60/54/42/372605442.db2.gz GICGBQRVJGISHQ-MNOVXSKESA-N 2 2 241.335 -0.609 20 0 BBADLP C[N@H+](C[C@H](O)C[NH3+])[C@H]1CCN(C2CCC2)C1=O ZINC000631827134 372605439 /nfs/dbraw/zinc/60/54/39/372605439.db2.gz GICGBQRVJGISHQ-MNOVXSKESA-N 2 2 241.335 -0.609 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH3+])[C@H]1CCN(C2CCC2)C1=O ZINC000631827135 368991308 /nfs/dbraw/zinc/99/13/08/368991308.db2.gz GICGBQRVJGISHQ-QWRGUYRKSA-N 2 2 241.335 -0.609 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH3+])[C@H]1CCN(C2CCC2)C1=O ZINC000631827135 368991306 /nfs/dbraw/zinc/99/13/06/368991306.db2.gz GICGBQRVJGISHQ-QWRGUYRKSA-N 2 2 241.335 -0.609 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH3+])[C@@H]1CCN(C2CCC2)C1=O ZINC000631827136 368990934 /nfs/dbraw/zinc/99/09/34/368990934.db2.gz GICGBQRVJGISHQ-WDEREUQCSA-N 2 2 241.335 -0.609 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH3+])[C@@H]1CCN(C2CCC2)C1=O ZINC000631827136 368990928 /nfs/dbraw/zinc/99/09/28/368990928.db2.gz GICGBQRVJGISHQ-WDEREUQCSA-N 2 2 241.335 -0.609 20 0 BBADLP C[C@@H]1OCC[C@@H]1C[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000631829009 372610776 /nfs/dbraw/zinc/61/07/76/372610776.db2.gz DMLNJEYVQKHPER-AXFHLTTASA-N 2 2 232.324 -0.975 20 0 BBADLP C[C@@H]1OCC[C@@H]1C[N@H+](CC[NH3+])C[C@H](O)CO ZINC000631829009 372610772 /nfs/dbraw/zinc/61/07/72/372610772.db2.gz DMLNJEYVQKHPER-AXFHLTTASA-N 2 2 232.324 -0.975 20 0 BBADLP C[C@@H]1OCC[C@H]1C[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000631829010 372611955 /nfs/dbraw/zinc/61/19/55/372611955.db2.gz DMLNJEYVQKHPER-DCAQKATOSA-N 2 2 232.324 -0.975 20 0 BBADLP C[C@@H]1OCC[C@H]1C[N@H+](CC[NH3+])C[C@H](O)CO ZINC000631829010 372611953 /nfs/dbraw/zinc/61/19/53/372611953.db2.gz DMLNJEYVQKHPER-DCAQKATOSA-N 2 2 232.324 -0.975 20 0 BBADLP C[C@@H]1OCC[C@H]1C[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000631829011 372610642 /nfs/dbraw/zinc/61/06/42/372610642.db2.gz DMLNJEYVQKHPER-GARJFASQSA-N 2 2 232.324 -0.975 20 0 BBADLP C[C@@H]1OCC[C@H]1C[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000631829011 372610639 /nfs/dbraw/zinc/61/06/39/372610639.db2.gz DMLNJEYVQKHPER-GARJFASQSA-N 2 2 232.324 -0.975 20 0 BBADLP C[C@@H]1OCC[C@@H]1C[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000631829012 372611847 /nfs/dbraw/zinc/61/18/47/372611847.db2.gz DMLNJEYVQKHPER-HBNTYKKESA-N 2 2 232.324 -0.975 20 0 BBADLP C[C@@H]1OCC[C@@H]1C[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000631829012 372611844 /nfs/dbraw/zinc/61/18/44/372611844.db2.gz DMLNJEYVQKHPER-HBNTYKKESA-N 2 2 232.324 -0.975 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000631837252 372626956 /nfs/dbraw/zinc/62/69/56/372626956.db2.gz PUMGLBVDFYFTOU-GMTAPVOTSA-N 3 2 213.325 -0.499 20 0 BBADLP C[C@@H]1C[N@H+](C[C@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000631837252 372626948 /nfs/dbraw/zinc/62/69/48/372626948.db2.gz PUMGLBVDFYFTOU-GMTAPVOTSA-N 3 2 213.325 -0.499 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000631837253 372627790 /nfs/dbraw/zinc/62/77/90/372627790.db2.gz PUMGLBVDFYFTOU-MXWKQRLJSA-N 3 2 213.325 -0.499 20 0 BBADLP C[C@@H]1C[N@H+](C[C@@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000631837253 372627788 /nfs/dbraw/zinc/62/77/88/372627788.db2.gz PUMGLBVDFYFTOU-MXWKQRLJSA-N 3 2 213.325 -0.499 20 0 BBADLP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C[NH3+] ZINC000631837695 372630133 /nfs/dbraw/zinc/63/01/33/372630133.db2.gz WIWVFCNBWOBIER-HTQZYQBOSA-N 2 2 225.296 -0.865 20 0 BBADLP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C[NH3+] ZINC000631837695 372630129 /nfs/dbraw/zinc/63/01/29/372630129.db2.gz WIWVFCNBWOBIER-HTQZYQBOSA-N 2 2 225.296 -0.865 20 0 BBADLP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837771 372628644 /nfs/dbraw/zinc/62/86/44/372628644.db2.gz FJGWQYFCWDFKCV-HRDYMLBCSA-N 2 2 224.312 -0.202 20 0 BBADLP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837771 372628640 /nfs/dbraw/zinc/62/86/40/372628640.db2.gz FJGWQYFCWDFKCV-HRDYMLBCSA-N 2 2 224.312 -0.202 20 0 BBADLP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837772 372628684 /nfs/dbraw/zinc/62/86/84/372628684.db2.gz FJGWQYFCWDFKCV-IWSPIJDZSA-N 2 2 224.312 -0.202 20 0 BBADLP C[C@H](c1nnnn1C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837772 372628680 /nfs/dbraw/zinc/62/86/80/372628680.db2.gz FJGWQYFCWDFKCV-IWSPIJDZSA-N 2 2 224.312 -0.202 20 0 BBADLP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C[NH3+] ZINC000631837936 372629554 /nfs/dbraw/zinc/62/95/54/372629554.db2.gz HHOCCIVLBHGTFS-HTQZYQBOSA-N 2 2 210.285 -0.763 20 0 BBADLP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C[NH3+] ZINC000631837936 372629548 /nfs/dbraw/zinc/62/95/48/372629548.db2.gz HHOCCIVLBHGTFS-HTQZYQBOSA-N 2 2 210.285 -0.763 20 0 BBADLP C[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1C[NH3+] ZINC000631838263 372622156 /nfs/dbraw/zinc/62/21/56/372622156.db2.gz LDTGSPIVZWLORP-RKDXNWHRSA-N 2 2 209.297 -0.158 20 0 BBADLP C[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1C[NH3+] ZINC000631838263 372622149 /nfs/dbraw/zinc/62/21/49/372622149.db2.gz LDTGSPIVZWLORP-RKDXNWHRSA-N 2 2 209.297 -0.158 20 0 BBADLP C[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1C[NH3+] ZINC000631838433 372631180 /nfs/dbraw/zinc/63/11/80/372631180.db2.gz OAQQHDRVKUEFJV-RKDXNWHRSA-N 2 2 209.297 -0.158 20 0 BBADLP C[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1C[NH3+] ZINC000631838433 372631175 /nfs/dbraw/zinc/63/11/75/372631175.db2.gz OAQQHDRVKUEFJV-RKDXNWHRSA-N 2 2 209.297 -0.158 20 0 BBADLP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000631840979 372638974 /nfs/dbraw/zinc/63/89/74/372638974.db2.gz XMZKKOXOXMLGLM-NXEZZACHSA-N 2 2 234.365 -0.052 20 0 BBADLP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000631840979 372638971 /nfs/dbraw/zinc/63/89/71/372638971.db2.gz XMZKKOXOXMLGLM-NXEZZACHSA-N 2 2 234.365 -0.052 20 0 BBADLP C(C[NH+]1CCOCC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631853379 372653282 /nfs/dbraw/zinc/65/32/82/372653282.db2.gz WGEXKTWRWQGJJV-TXEJJXNPSA-N 2 2 225.336 -0.245 20 0 BBADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCCS(=O)(=O)N(C)C ZINC000631858832 372657791 /nfs/dbraw/zinc/65/77/91/372657791.db2.gz DYSVHPQXRHLQOS-NXEZZACHSA-N 2 2 249.380 -0.311 20 0 BBADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCCS(=O)(=O)N(C)C ZINC000631858832 372657784 /nfs/dbraw/zinc/65/77/84/372657784.db2.gz DYSVHPQXRHLQOS-NXEZZACHSA-N 2 2 249.380 -0.311 20 0 BBADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCCS(=O)(=O)N(C)C ZINC000631858833 372658485 /nfs/dbraw/zinc/65/84/85/372658485.db2.gz DYSVHPQXRHLQOS-UWVGGRQHSA-N 2 2 249.380 -0.311 20 0 BBADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCCS(=O)(=O)N(C)C ZINC000631858833 372658483 /nfs/dbraw/zinc/65/84/83/372658483.db2.gz DYSVHPQXRHLQOS-UWVGGRQHSA-N 2 2 249.380 -0.311 20 0 BBADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCCS(=O)(=O)N(C)C ZINC000631858834 372657701 /nfs/dbraw/zinc/65/77/01/372657701.db2.gz DYSVHPQXRHLQOS-VHSXEESVSA-N 2 2 249.380 -0.311 20 0 BBADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCCS(=O)(=O)N(C)C ZINC000631858834 372657697 /nfs/dbraw/zinc/65/76/97/372657697.db2.gz DYSVHPQXRHLQOS-VHSXEESVSA-N 2 2 249.380 -0.311 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCCS(=O)(=O)N(C)C ZINC000631858835 372658444 /nfs/dbraw/zinc/65/84/44/372658444.db2.gz DYSVHPQXRHLQOS-ZJUUUORDSA-N 2 2 249.380 -0.311 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCCS(=O)(=O)N(C)C ZINC000631858835 372658442 /nfs/dbraw/zinc/65/84/42/372658442.db2.gz DYSVHPQXRHLQOS-ZJUUUORDSA-N 2 2 249.380 -0.311 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCN1C(=O)CCC1=O ZINC000631858853 369444395 /nfs/dbraw/zinc/44/43/95/369444395.db2.gz FKCNNHWFAYYJDM-BDAKNGLRSA-N 2 2 225.292 -0.443 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCN1C(=O)CCC1=O ZINC000631858853 369444389 /nfs/dbraw/zinc/44/43/89/369444389.db2.gz FKCNNHWFAYYJDM-BDAKNGLRSA-N 2 2 225.292 -0.443 20 0 BBADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCN1C(=O)CCC1=O ZINC000631858854 369444807 /nfs/dbraw/zinc/44/48/07/369444807.db2.gz FKCNNHWFAYYJDM-DTWKUNHWSA-N 2 2 225.292 -0.443 20 0 BBADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCN1C(=O)CCC1=O ZINC000631858854 369444803 /nfs/dbraw/zinc/44/48/03/369444803.db2.gz FKCNNHWFAYYJDM-DTWKUNHWSA-N 2 2 225.292 -0.443 20 0 BBADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCN1C(=O)CCC1=O ZINC000631858855 369444633 /nfs/dbraw/zinc/44/46/33/369444633.db2.gz FKCNNHWFAYYJDM-IUCAKERBSA-N 2 2 225.292 -0.443 20 0 BBADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCN1C(=O)CCC1=O ZINC000631858855 369444628 /nfs/dbraw/zinc/44/46/28/369444628.db2.gz FKCNNHWFAYYJDM-IUCAKERBSA-N 2 2 225.292 -0.443 20 0 BBADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCN1C(=O)CCC1=O ZINC000631858856 369444950 /nfs/dbraw/zinc/44/49/50/369444950.db2.gz FKCNNHWFAYYJDM-RKDXNWHRSA-N 2 2 225.292 -0.443 20 0 BBADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCN1C(=O)CCC1=O ZINC000631858856 369444947 /nfs/dbraw/zinc/44/49/47/369444947.db2.gz FKCNNHWFAYYJDM-RKDXNWHRSA-N 2 2 225.292 -0.443 20 0 BBADLP CNS(=O)(=O)CCC[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000631859588 369468512 /nfs/dbraw/zinc/46/85/12/369468512.db2.gz PCYLKIFVOXLBQG-BDAKNGLRSA-N 2 2 235.353 -0.653 20 0 BBADLP CNS(=O)(=O)CCC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000631859588 369468508 /nfs/dbraw/zinc/46/85/08/369468508.db2.gz PCYLKIFVOXLBQG-BDAKNGLRSA-N 2 2 235.353 -0.653 20 0 BBADLP CNS(=O)(=O)CCC[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000631859589 369468314 /nfs/dbraw/zinc/46/83/14/369468314.db2.gz PCYLKIFVOXLBQG-DTWKUNHWSA-N 2 2 235.353 -0.653 20 0 BBADLP CNS(=O)(=O)CCC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000631859589 369468309 /nfs/dbraw/zinc/46/83/09/369468309.db2.gz PCYLKIFVOXLBQG-DTWKUNHWSA-N 2 2 235.353 -0.653 20 0 BBADLP CNS(=O)(=O)CCC[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000631859590 369468243 /nfs/dbraw/zinc/46/82/43/369468243.db2.gz PCYLKIFVOXLBQG-IUCAKERBSA-N 2 2 235.353 -0.653 20 0 BBADLP CNS(=O)(=O)CCC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000631859590 369468238 /nfs/dbraw/zinc/46/82/38/369468238.db2.gz PCYLKIFVOXLBQG-IUCAKERBSA-N 2 2 235.353 -0.653 20 0 BBADLP CNS(=O)(=O)CCC[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000631859591 369468356 /nfs/dbraw/zinc/46/83/56/369468356.db2.gz PCYLKIFVOXLBQG-RKDXNWHRSA-N 2 2 235.353 -0.653 20 0 BBADLP CNS(=O)(=O)CCC[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000631859591 369468348 /nfs/dbraw/zinc/46/83/48/369468348.db2.gz PCYLKIFVOXLBQG-RKDXNWHRSA-N 2 2 235.353 -0.653 20 0 BBADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCN1CC[NH2+]CC1 ZINC000631859859 372658505 /nfs/dbraw/zinc/65/85/05/372658505.db2.gz FHHDMBOUIBRPQF-GHMZBOCLSA-N 3 2 212.341 -0.687 20 0 BBADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCN1CC[NH2+]CC1 ZINC000631859859 372658504 /nfs/dbraw/zinc/65/85/04/372658504.db2.gz FHHDMBOUIBRPQF-GHMZBOCLSA-N 3 2 212.341 -0.687 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCN1CC[NH2+]CC1 ZINC000631859860 372658228 /nfs/dbraw/zinc/65/82/28/372658228.db2.gz FHHDMBOUIBRPQF-MNOVXSKESA-N 3 2 212.341 -0.687 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCN1CC[NH2+]CC1 ZINC000631859860 372658224 /nfs/dbraw/zinc/65/82/24/372658224.db2.gz FHHDMBOUIBRPQF-MNOVXSKESA-N 3 2 212.341 -0.687 20 0 BBADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCN1CC[NH2+]CC1 ZINC000631859861 372658453 /nfs/dbraw/zinc/65/84/53/372658453.db2.gz FHHDMBOUIBRPQF-QWRGUYRKSA-N 3 2 212.341 -0.687 20 0 BBADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCN1CC[NH2+]CC1 ZINC000631859861 372658451 /nfs/dbraw/zinc/65/84/51/372658451.db2.gz FHHDMBOUIBRPQF-QWRGUYRKSA-N 3 2 212.341 -0.687 20 0 BBADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCN1CC[NH2+]CC1 ZINC000631859862 372658551 /nfs/dbraw/zinc/65/85/51/372658551.db2.gz FHHDMBOUIBRPQF-WDEREUQCSA-N 3 2 212.341 -0.687 20 0 BBADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCN1CC[NH2+]CC1 ZINC000631859862 372658546 /nfs/dbraw/zinc/65/85/46/372658546.db2.gz FHHDMBOUIBRPQF-WDEREUQCSA-N 3 2 212.341 -0.687 20 0 BBADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCC(=O)N1CCOCC1 ZINC000631860029 372659561 /nfs/dbraw/zinc/65/95/61/372659561.db2.gz UGJXWKCZUSYSAH-GHMZBOCLSA-N 2 2 241.335 -0.343 20 0 BBADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCC(=O)N1CCOCC1 ZINC000631860029 372659556 /nfs/dbraw/zinc/65/95/56/372659556.db2.gz UGJXWKCZUSYSAH-GHMZBOCLSA-N 2 2 241.335 -0.343 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCC(=O)N1CCOCC1 ZINC000631860030 372659936 /nfs/dbraw/zinc/65/99/36/372659936.db2.gz UGJXWKCZUSYSAH-MNOVXSKESA-N 2 2 241.335 -0.343 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCC(=O)N1CCOCC1 ZINC000631860030 372659931 /nfs/dbraw/zinc/65/99/31/372659931.db2.gz UGJXWKCZUSYSAH-MNOVXSKESA-N 2 2 241.335 -0.343 20 0 BBADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCC(=O)N1CCOCC1 ZINC000631860031 372659548 /nfs/dbraw/zinc/65/95/48/372659548.db2.gz UGJXWKCZUSYSAH-QWRGUYRKSA-N 2 2 241.335 -0.343 20 0 BBADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCC(=O)N1CCOCC1 ZINC000631860031 372659541 /nfs/dbraw/zinc/65/95/41/372659541.db2.gz UGJXWKCZUSYSAH-QWRGUYRKSA-N 2 2 241.335 -0.343 20 0 BBADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCC(=O)N1CCOCC1 ZINC000631860032 372659781 /nfs/dbraw/zinc/65/97/81/372659781.db2.gz UGJXWKCZUSYSAH-WDEREUQCSA-N 2 2 241.335 -0.343 20 0 BBADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCC(=O)N1CCOCC1 ZINC000631860032 372659773 /nfs/dbraw/zinc/65/97/73/372659773.db2.gz UGJXWKCZUSYSAH-WDEREUQCSA-N 2 2 241.335 -0.343 20 0 BBADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000631861162 369469668 /nfs/dbraw/zinc/46/96/68/369469668.db2.gz WQHSYQDFGFAZNE-GHMZBOCLSA-N 3 2 240.351 -0.770 20 0 BBADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000631861162 369469663 /nfs/dbraw/zinc/46/96/63/369469663.db2.gz WQHSYQDFGFAZNE-GHMZBOCLSA-N 3 2 240.351 -0.770 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000631861163 369469347 /nfs/dbraw/zinc/46/93/47/369469347.db2.gz WQHSYQDFGFAZNE-MNOVXSKESA-N 3 2 240.351 -0.770 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000631861163 369469345 /nfs/dbraw/zinc/46/93/45/369469345.db2.gz WQHSYQDFGFAZNE-MNOVXSKESA-N 3 2 240.351 -0.770 20 0 BBADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000631861164 369470095 /nfs/dbraw/zinc/47/00/95/369470095.db2.gz WQHSYQDFGFAZNE-QWRGUYRKSA-N 3 2 240.351 -0.770 20 0 BBADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000631861164 369470090 /nfs/dbraw/zinc/47/00/90/369470090.db2.gz WQHSYQDFGFAZNE-QWRGUYRKSA-N 3 2 240.351 -0.770 20 0 BBADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000631861165 369469563 /nfs/dbraw/zinc/46/95/63/369469563.db2.gz WQHSYQDFGFAZNE-WDEREUQCSA-N 3 2 240.351 -0.770 20 0 BBADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000631861165 369469558 /nfs/dbraw/zinc/46/95/58/369469558.db2.gz WQHSYQDFGFAZNE-WDEREUQCSA-N 3 2 240.351 -0.770 20 0 BBADLP C[C@@H](C(=O)N(C)C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631862890 372664936 /nfs/dbraw/zinc/66/49/36/372664936.db2.gz OXISQMKXAMVTGB-JTQLQIEISA-N 2 2 243.351 -0.491 20 0 BBADLP C[C@H](C(=O)N(C)C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631862892 372665246 /nfs/dbraw/zinc/66/52/46/372665246.db2.gz OXISQMKXAMVTGB-SNVBAGLBSA-N 2 2 243.351 -0.491 20 0 BBADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000631863387 369609311 /nfs/dbraw/zinc/60/93/11/369609311.db2.gz ZRGUFRSNVKGRLQ-GMTAPVOTSA-N 3 2 225.336 -0.071 20 0 BBADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000631863387 369609309 /nfs/dbraw/zinc/60/93/09/369609309.db2.gz ZRGUFRSNVKGRLQ-GMTAPVOTSA-N 3 2 225.336 -0.071 20 0 BBADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000631863389 369609141 /nfs/dbraw/zinc/60/91/41/369609141.db2.gz ZRGUFRSNVKGRLQ-MXWKQRLJSA-N 3 2 225.336 -0.071 20 0 BBADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000631863389 369609139 /nfs/dbraw/zinc/60/91/39/369609139.db2.gz ZRGUFRSNVKGRLQ-MXWKQRLJSA-N 3 2 225.336 -0.071 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000631863390 369609458 /nfs/dbraw/zinc/60/94/58/369609458.db2.gz ZRGUFRSNVKGRLQ-OUAUKWLOSA-N 3 2 225.336 -0.071 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000631863390 369609452 /nfs/dbraw/zinc/60/94/52/369609452.db2.gz ZRGUFRSNVKGRLQ-OUAUKWLOSA-N 3 2 225.336 -0.071 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000631863391 369609561 /nfs/dbraw/zinc/60/95/61/369609561.db2.gz ZRGUFRSNVKGRLQ-VWYCJHECSA-N 3 2 225.336 -0.071 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000631863391 369609557 /nfs/dbraw/zinc/60/95/57/369609557.db2.gz ZRGUFRSNVKGRLQ-VWYCJHECSA-N 3 2 225.336 -0.071 20 0 BBADLP COCCOCC[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863461 372666320 /nfs/dbraw/zinc/66/63/20/372666320.db2.gz XXWAWGGHOFUFBM-UHFFFAOYSA-N 2 2 246.351 -0.304 20 0 BBADLP CS(=O)(=O)N[C@@H]1CCC[N@@H+](CCC[NH3+])C1 ZINC000631867452 370268438 /nfs/dbraw/zinc/26/84/38/370268438.db2.gz VJHSHHVXXHITEI-SECBINFHSA-N 2 2 235.353 -0.651 20 0 BBADLP CS(=O)(=O)N[C@@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000631867452 370268436 /nfs/dbraw/zinc/26/84/36/370268436.db2.gz VJHSHHVXXHITEI-SECBINFHSA-N 2 2 235.353 -0.651 20 0 BBADLP CS(=O)(=O)N[C@H]1CCC[N@@H+](CCC[NH3+])C1 ZINC000631867453 370268658 /nfs/dbraw/zinc/26/86/58/370268658.db2.gz VJHSHHVXXHITEI-VIFPVBQESA-N 2 2 235.353 -0.651 20 0 BBADLP CS(=O)(=O)N[C@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000631867453 370268654 /nfs/dbraw/zinc/26/86/54/370268654.db2.gz VJHSHHVXXHITEI-VIFPVBQESA-N 2 2 235.353 -0.651 20 0 BBADLP CN(C)C(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867598 372669199 /nfs/dbraw/zinc/66/91/99/372669199.db2.gz FPMYTSNOTQLEDA-KOLCDFICSA-N 2 2 211.309 -0.194 20 0 BBADLP [NH3+]CCOCC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867752 372669910 /nfs/dbraw/zinc/66/99/10/372669910.db2.gz ICUMMJOFLFKJBX-MNOVXSKESA-N 3 2 213.325 -0.307 20 0 BBADLP C(CN1CC[NH2+]CC1)[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867864 372669506 /nfs/dbraw/zinc/66/95/06/372669506.db2.gz MSRIJKSNJUQXPU-OLZOCXBDSA-N 3 2 238.379 -0.377 20 0 BBADLP CS(=O)(=O)NCC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867944 372669881 /nfs/dbraw/zinc/66/98/81/372669881.db2.gz PTINSHYKSNRIQR-ZJUUUORDSA-N 2 2 247.364 -0.733 20 0 BBADLP CCNC(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631868060 372670862 /nfs/dbraw/zinc/67/08/62/372670862.db2.gz VFOIICXBMQPRSB-KOLCDFICSA-N 2 2 211.309 -0.146 20 0 BBADLP O=C(C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)NC1CC1 ZINC000631870036 370408669 /nfs/dbraw/zinc/40/86/69/370408669.db2.gz CQQYTYYQVKRHOJ-SKDRFNHKSA-N 2 2 223.320 -0.003 20 0 BBADLP C[NH2+]C[C@](C)(O)CN(C)Cc1[nH]cc[nH+]1 ZINC000631879005 372678220 /nfs/dbraw/zinc/67/82/20/372678220.db2.gz HSXXMIFFLRILCT-JTQLQIEISA-N 2 2 212.297 -0.188 20 0 BBADLP C[NH2+]C[C@@](C)(O)CN(C)Cc1[nH]cc[nH+]1 ZINC000631879006 372678162 /nfs/dbraw/zinc/67/81/62/372678162.db2.gz HSXXMIFFLRILCT-SNVBAGLBSA-N 2 2 212.297 -0.188 20 0 BBADLP CNC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631889949 372684013 /nfs/dbraw/zinc/68/40/13/372684013.db2.gz LEYMOZHSISHOPI-NXEZZACHSA-N 2 2 211.309 -0.194 20 0 BBADLP CNC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631889949 372684007 /nfs/dbraw/zinc/68/40/07/372684007.db2.gz LEYMOZHSISHOPI-NXEZZACHSA-N 2 2 211.309 -0.194 20 0 BBADLP CNC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631889950 372684986 /nfs/dbraw/zinc/68/49/86/372684986.db2.gz LEYMOZHSISHOPI-UWVGGRQHSA-N 2 2 211.309 -0.194 20 0 BBADLP CNC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631889950 372684980 /nfs/dbraw/zinc/68/49/80/372684980.db2.gz LEYMOZHSISHOPI-UWVGGRQHSA-N 2 2 211.309 -0.194 20 0 BBADLP CNC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631889952 372684911 /nfs/dbraw/zinc/68/49/11/372684911.db2.gz LEYMOZHSISHOPI-VHSXEESVSA-N 2 2 211.309 -0.194 20 0 BBADLP CNC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631889952 372684906 /nfs/dbraw/zinc/68/49/06/372684906.db2.gz LEYMOZHSISHOPI-VHSXEESVSA-N 2 2 211.309 -0.194 20 0 BBADLP CNC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631889954 372674821 /nfs/dbraw/zinc/67/48/21/372674821.db2.gz LEYMOZHSISHOPI-ZJUUUORDSA-N 2 2 211.309 -0.194 20 0 BBADLP CNC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631889954 372674814 /nfs/dbraw/zinc/67/48/14/372674814.db2.gz LEYMOZHSISHOPI-ZJUUUORDSA-N 2 2 211.309 -0.194 20 0 BBADLP C[NH+](C)C1(CS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000631900460 362805161 /nfs/dbraw/zinc/80/51/61/362805161.db2.gz AEOYCRJWFMXEJJ-UHFFFAOYSA-N 2 2 247.364 -0.684 20 0 BBADLP C[NH+](C)CCCS(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000632144404 372780881 /nfs/dbraw/zinc/78/08/81/372780881.db2.gz XGQWRRWZJPENQU-UHFFFAOYSA-N 2 2 246.336 -0.219 20 0 BBADLP C[NH+](C)CCCS(=O)(=O)N1CC([NH+](C)C)C1 ZINC000632182159 372795613 /nfs/dbraw/zinc/79/56/13/372795613.db2.gz ZKSXXGZDMQGYBM-UHFFFAOYSA-N 2 2 249.380 -0.486 20 0 BBADLP C[NH+](C)CCCS(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000632588747 373022624 /nfs/dbraw/zinc/02/26/24/373022624.db2.gz STPLLVWTDKESPM-UHFFFAOYSA-N 2 2 246.336 -0.219 20 0 BBADLP C[NH+](C)CCCS(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000632588747 373022621 /nfs/dbraw/zinc/02/26/21/373022621.db2.gz STPLLVWTDKESPM-UHFFFAOYSA-N 2 2 246.336 -0.219 20 0 BBADLP C[NH+](C)CCn1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634589571 342936621 /nfs/dbraw/zinc/93/66/21/342936621.db2.gz BTOSEYFWTBCSRM-MRVPVSSYSA-N 2 2 210.281 -0.644 20 0 BBADLP C[NH+](C)CCn1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634589572 342936790 /nfs/dbraw/zinc/93/67/90/342936790.db2.gz BTOSEYFWTBCSRM-QMMMGPOBSA-N 2 2 210.281 -0.644 20 0 BBADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634687919 343245275 /nfs/dbraw/zinc/24/52/75/343245275.db2.gz CXQPYNPKSZRGNQ-AXFHLTTASA-N 2 2 212.293 -0.447 20 0 BBADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634687919 343245273 /nfs/dbraw/zinc/24/52/73/343245273.db2.gz CXQPYNPKSZRGNQ-AXFHLTTASA-N 2 2 212.293 -0.447 20 0 BBADLP C([C@H]1C[NH2+]CCO1)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634687920 343245591 /nfs/dbraw/zinc/24/55/91/343245591.db2.gz CXQPYNPKSZRGNQ-OUAUKWLOSA-N 2 2 212.293 -0.447 20 0 BBADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634687920 343245590 /nfs/dbraw/zinc/24/55/90/343245590.db2.gz CXQPYNPKSZRGNQ-OUAUKWLOSA-N 2 2 212.293 -0.447 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1COCC[C@H]1O)C1CC1 ZINC000634729292 410047137 /nfs/dbraw/zinc/04/71/37/410047137.db2.gz DSKRAAKTEMZTND-IJLUTSLNSA-N 2 2 244.335 -0.819 20 0 BBADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1COCC[C@H]1O)C1CC1 ZINC000634729292 410047131 /nfs/dbraw/zinc/04/71/31/410047131.db2.gz DSKRAAKTEMZTND-IJLUTSLNSA-N 2 2 244.335 -0.819 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1COCC[C@H]1O)C1CC1 ZINC000634729293 410047510 /nfs/dbraw/zinc/04/75/10/410047510.db2.gz DSKRAAKTEMZTND-QJPTWQEYSA-N 2 2 244.335 -0.819 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1COCC[C@H]1O)C1CC1 ZINC000634729293 410047504 /nfs/dbraw/zinc/04/75/04/410047504.db2.gz DSKRAAKTEMZTND-QJPTWQEYSA-N 2 2 244.335 -0.819 20 0 BBADLP O[C@H](C[NH2+][C@@H]1COCC[C@H]1O)C[NH+]1CCCC1 ZINC000634729805 344011590 /nfs/dbraw/zinc/01/15/90/344011590.db2.gz XDRDPZVPEJOATQ-IJLUTSLNSA-N 2 2 244.335 -0.818 20 0 BBADLP O[C@@H](C[NH2+][C@@H]1COCC[C@H]1O)C[NH+]1CCCC1 ZINC000634729806 344011267 /nfs/dbraw/zinc/01/12/67/344011267.db2.gz XDRDPZVPEJOATQ-QJPTWQEYSA-N 2 2 244.335 -0.818 20 0 BBADLP Nc1nc(-n2cccn2)cc(N2CC[NH2+]CC2)[nH+]1 ZINC000634807436 411971994 /nfs/dbraw/zinc/97/19/94/411971994.db2.gz MFCORDYGUZPVCL-UHFFFAOYSA-N 2 2 245.290 -0.346 20 0 BBADLP c1nc(N2CC[NH2+]CC2)c2c([nH+]1)NCCO2 ZINC000634807637 344392642 /nfs/dbraw/zinc/39/26/42/344392642.db2.gz VPYHUAAMWZHMLX-UHFFFAOYSA-N 2 2 221.264 -0.310 20 0 BBADLP c1nc(NC2C[NH2+]C2)c2c([nH+]1)NCCO2 ZINC000634809690 344394024 /nfs/dbraw/zinc/39/40/24/344394024.db2.gz YGLQTTPZZIBPPY-UHFFFAOYSA-N 2 2 207.237 -0.335 20 0 BBADLP Cn1ncc2c1nc(N)[nH+]c2N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000634809885 411961578 /nfs/dbraw/zinc/96/15/78/411961578.db2.gz FBAFCZBLQLCPGF-BDINMYNLSA-N 2 2 245.290 -0.425 20 0 BBADLP c1nc2c(c(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)[nH+]1)OCCN2 ZINC000634810511 344395461 /nfs/dbraw/zinc/39/54/61/344395461.db2.gz ZBTTZXLKVHEVII-JIGDXULJSA-N 2 2 233.275 -0.089 20 0 BBADLP c1nc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c2c([nH+]1)NCCO2 ZINC000634810511 344395460 /nfs/dbraw/zinc/39/54/60/344395460.db2.gz ZBTTZXLKVHEVII-JIGDXULJSA-N 2 2 233.275 -0.089 20 0 BBADLP C[C@H](O)CNc1cc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[nH+]cn1 ZINC000634810520 344395358 /nfs/dbraw/zinc/39/53/58/344395358.db2.gz ZIVORRLYERMFKN-APOZVJGGSA-N 2 2 249.318 -0.101 20 0 BBADLP C[C@H](O)CNc1cc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)nc[nH+]1 ZINC000634810520 344395354 /nfs/dbraw/zinc/39/53/54/344395354.db2.gz ZIVORRLYERMFKN-APOZVJGGSA-N 2 2 249.318 -0.101 20 0 BBADLP C[C@@H](O)CNc1cc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[nH+]cn1 ZINC000634810523 344395421 /nfs/dbraw/zinc/39/54/21/344395421.db2.gz ZIVORRLYERMFKN-XBWDGYHZSA-N 2 2 249.318 -0.101 20 0 BBADLP C[C@@H](O)CNc1cc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)nc[nH+]1 ZINC000634810523 344395420 /nfs/dbraw/zinc/39/54/20/344395420.db2.gz ZIVORRLYERMFKN-XBWDGYHZSA-N 2 2 249.318 -0.101 20 0 BBADLP c1nc(NCCC[NH2+]C2CC2)c2c([nH+]1)NCCO2 ZINC000634811851 344396403 /nfs/dbraw/zinc/39/64/03/344396403.db2.gz SJFBAYSRCQUOOC-UHFFFAOYSA-N 2 2 249.318 -0.053 20 0 BBADLP c1nc2c(c(NCCC[NH2+]C3CC3)[nH+]1)OCCN2 ZINC000634811851 344396401 /nfs/dbraw/zinc/39/64/01/344396401.db2.gz SJFBAYSRCQUOOC-UHFFFAOYSA-N 2 2 249.318 -0.053 20 0 BBADLP c1nc(N2C[C@@H]3C[C@H]2C[NH2+]3)c2c([nH+]1)NCCO2 ZINC000634812709 344396946 /nfs/dbraw/zinc/39/69/46/344396946.db2.gz PKNYWAOBJUIMRC-YUMQZZPRSA-N 2 2 233.275 -0.169 20 0 BBADLP COCC[N@@H+](C)CC[NH2+][C@H]1CCNC(=O)CC1 ZINC000634958240 345132582 /nfs/dbraw/zinc/13/25/82/345132582.db2.gz KECCLQSQRHAZNA-LLVKDONJSA-N 2 2 243.351 -0.177 20 0 BBADLP COCC[N@H+](C)CC[NH2+][C@H]1CCNC(=O)CC1 ZINC000634958240 345132581 /nfs/dbraw/zinc/13/25/81/345132581.db2.gz KECCLQSQRHAZNA-LLVKDONJSA-N 2 2 243.351 -0.177 20 0 BBADLP COCC[N@@H+](C)CC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634958241 345132597 /nfs/dbraw/zinc/13/25/97/345132597.db2.gz KECCLQSQRHAZNA-NSHDSACASA-N 2 2 243.351 -0.177 20 0 BBADLP COCC[N@H+](C)CC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634958241 345132596 /nfs/dbraw/zinc/13/25/96/345132596.db2.gz KECCLQSQRHAZNA-NSHDSACASA-N 2 2 243.351 -0.177 20 0 BBADLP COCC[N@@H+](CCO)CC12CC(C1)C[NH2+]2 ZINC000634992174 345179525 /nfs/dbraw/zinc/17/95/25/345179525.db2.gz GVYUYRGZDNFGGQ-UHFFFAOYSA-N 2 2 214.309 -0.321 20 0 BBADLP COCC[N@H+](CCO)CC12CC(C1)C[NH2+]2 ZINC000634992174 345179522 /nfs/dbraw/zinc/17/95/22/345179522.db2.gz GVYUYRGZDNFGGQ-UHFFFAOYSA-N 2 2 214.309 -0.321 20 0 BBADLP OCCC[N@@H+](CCO)CC12CC(C1)C[NH2+]2 ZINC000634992280 345180270 /nfs/dbraw/zinc/18/02/70/345180270.db2.gz JUWVZQNGIXWCIL-UHFFFAOYSA-N 2 2 214.309 -0.585 20 0 BBADLP OCCC[N@H+](CCO)CC12CC(C1)C[NH2+]2 ZINC000634992280 345180267 /nfs/dbraw/zinc/18/02/67/345180267.db2.gz JUWVZQNGIXWCIL-UHFFFAOYSA-N 2 2 214.309 -0.585 20 0 BBADLP CNC(=O)[C@H]1CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992359 345180315 /nfs/dbraw/zinc/18/03/15/345180315.db2.gz MGMANIBKMGKZRB-SQLBVSGCSA-N 2 2 223.320 -0.051 20 0 BBADLP CNC(=O)[C@H]1CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992359 345180311 /nfs/dbraw/zinc/18/03/11/345180311.db2.gz MGMANIBKMGKZRB-SQLBVSGCSA-N 2 2 223.320 -0.051 20 0 BBADLP CNC(=O)[C@@H]1CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992360 345180351 /nfs/dbraw/zinc/18/03/51/345180351.db2.gz MGMANIBKMGKZRB-YZRBJQDESA-N 2 2 223.320 -0.051 20 0 BBADLP CNC(=O)[C@@H]1CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992360 345180347 /nfs/dbraw/zinc/18/03/47/345180347.db2.gz MGMANIBKMGKZRB-YZRBJQDESA-N 2 2 223.320 -0.051 20 0 BBADLP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634993872 345192109 /nfs/dbraw/zinc/19/21/09/345192109.db2.gz IUWZMGTUFAFGBT-DKZWSVDFSA-N 2 2 223.320 -0.147 20 0 BBADLP C[C@H]1CCNC(=O)[C@@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634993873 345192168 /nfs/dbraw/zinc/19/21/68/345192168.db2.gz IUWZMGTUFAFGBT-GWFPEYJASA-N 2 2 223.320 -0.147 20 0 BBADLP C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634993874 345191922 /nfs/dbraw/zinc/19/19/22/345191922.db2.gz IUWZMGTUFAFGBT-HUXNSBQSSA-N 2 2 223.320 -0.147 20 0 BBADLP C[C@H]1CCNC(=O)[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634993875 345192207 /nfs/dbraw/zinc/19/22/07/345192207.db2.gz IUWZMGTUFAFGBT-ZSWLNHAKSA-N 2 2 223.320 -0.147 20 0 BBADLP CC(C)[C@H](C[NH3+])C[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000634994143 345192359 /nfs/dbraw/zinc/19/23/59/345192359.db2.gz SEDXAUVCDSMAGP-GHMZBOCLSA-N 3 2 215.341 -0.123 20 0 BBADLP CC(C)[C@H](C[NH3+])C[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000634994143 345192356 /nfs/dbraw/zinc/19/23/56/345192356.db2.gz SEDXAUVCDSMAGP-GHMZBOCLSA-N 3 2 215.341 -0.123 20 0 BBADLP CC(C)[C@H](C[NH3+])C[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000634994144 345192879 /nfs/dbraw/zinc/19/28/79/345192879.db2.gz SEDXAUVCDSMAGP-MNOVXSKESA-N 3 2 215.341 -0.123 20 0 BBADLP CC(C)[C@H](C[NH3+])C[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000634994144 345192878 /nfs/dbraw/zinc/19/28/78/345192878.db2.gz SEDXAUVCDSMAGP-MNOVXSKESA-N 3 2 215.341 -0.123 20 0 BBADLP CC(C)[C@@H](C[NH3+])C[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000634994145 345192885 /nfs/dbraw/zinc/19/28/85/345192885.db2.gz SEDXAUVCDSMAGP-QWRGUYRKSA-N 3 2 215.341 -0.123 20 0 BBADLP CC(C)[C@@H](C[NH3+])C[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000634994145 345192884 /nfs/dbraw/zinc/19/28/84/345192884.db2.gz SEDXAUVCDSMAGP-QWRGUYRKSA-N 3 2 215.341 -0.123 20 0 BBADLP CC(C)[C@@H](C[NH3+])C[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000634994146 345192902 /nfs/dbraw/zinc/19/29/02/345192902.db2.gz SEDXAUVCDSMAGP-WDEREUQCSA-N 3 2 215.341 -0.123 20 0 BBADLP CC(C)[C@@H](C[NH3+])C[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000634994146 345192900 /nfs/dbraw/zinc/19/29/00/345192900.db2.gz SEDXAUVCDSMAGP-WDEREUQCSA-N 3 2 215.341 -0.123 20 0 BBADLP C[C@@]1(C(N)=O)CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994505 345181771 /nfs/dbraw/zinc/18/17/71/345181771.db2.gz FTBBAMMPBQMXQY-CKBZRRDASA-N 2 2 223.320 -0.064 20 0 BBADLP C[C@@]1(C(N)=O)CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994505 345181767 /nfs/dbraw/zinc/18/17/67/345181767.db2.gz FTBBAMMPBQMXQY-CKBZRRDASA-N 2 2 223.320 -0.064 20 0 BBADLP C[C@]1(C(N)=O)CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994506 345181895 /nfs/dbraw/zinc/18/18/95/345181895.db2.gz FTBBAMMPBQMXQY-ZYXZCXLHSA-N 2 2 223.320 -0.064 20 0 BBADLP C[C@]1(C(N)=O)CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994506 345181892 /nfs/dbraw/zinc/18/18/92/345181892.db2.gz FTBBAMMPBQMXQY-ZYXZCXLHSA-N 2 2 223.320 -0.064 20 0 BBADLP C[N@@H+](CCOCCO)CC12CC(C1)C[NH2+]2 ZINC000634994507 345181544 /nfs/dbraw/zinc/18/15/44/345181544.db2.gz FXHRYPZYNMSTFO-UHFFFAOYSA-N 2 2 214.309 -0.321 20 0 BBADLP C[N@H+](CCOCCO)CC12CC(C1)C[NH2+]2 ZINC000634994507 345181541 /nfs/dbraw/zinc/18/15/41/345181541.db2.gz FXHRYPZYNMSTFO-UHFFFAOYSA-N 2 2 214.309 -0.321 20 0 BBADLP O=C1NC[C@@H]2[C@H]1CCC[N@H+]2CC12CC(C1)C[NH2+]2 ZINC000634994553 345182053 /nfs/dbraw/zinc/18/20/53/345182053.db2.gz HFYLAUZIASGYEU-QRVCZOOMSA-N 2 2 235.331 -0.051 20 0 BBADLP O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2CC12CC(C1)C[NH2+]2 ZINC000634994553 345182052 /nfs/dbraw/zinc/18/20/52/345182052.db2.gz HFYLAUZIASGYEU-QRVCZOOMSA-N 2 2 235.331 -0.051 20 0 BBADLP C(CN1CC[NH2+]CC1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634995339 345184369 /nfs/dbraw/zinc/18/43/69/345184369.db2.gz BEEHOFZHJCEOKG-UHFFFAOYSA-N 3 2 224.352 -0.767 20 0 BBADLP CC(C)[C@H](C[NH3+])C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000634995427 345184533 /nfs/dbraw/zinc/18/45/33/345184533.db2.gz DRXFLLJIOKYOFI-NXEZZACHSA-N 3 2 203.330 -0.531 20 0 BBADLP CC(C)[C@H](C[NH3+])C[N@H+](C)C[C@H](O)C[NH3+] ZINC000634995427 345184531 /nfs/dbraw/zinc/18/45/31/345184531.db2.gz DRXFLLJIOKYOFI-NXEZZACHSA-N 3 2 203.330 -0.531 20 0 BBADLP CC(C)[C@@H](C[NH3+])C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000634995428 345184478 /nfs/dbraw/zinc/18/44/78/345184478.db2.gz DRXFLLJIOKYOFI-UWVGGRQHSA-N 3 2 203.330 -0.531 20 0 BBADLP CC(C)[C@@H](C[NH3+])C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000634995428 345184476 /nfs/dbraw/zinc/18/44/76/345184476.db2.gz DRXFLLJIOKYOFI-UWVGGRQHSA-N 3 2 203.330 -0.531 20 0 BBADLP CC(C)[C@@H](C[NH3+])C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000634995429 345184251 /nfs/dbraw/zinc/18/42/51/345184251.db2.gz DRXFLLJIOKYOFI-VHSXEESVSA-N 3 2 203.330 -0.531 20 0 BBADLP CC(C)[C@@H](C[NH3+])C[N@H+](C)C[C@H](O)C[NH3+] ZINC000634995429 345184248 /nfs/dbraw/zinc/18/42/48/345184248.db2.gz DRXFLLJIOKYOFI-VHSXEESVSA-N 3 2 203.330 -0.531 20 0 BBADLP CC(C)[C@H](C[NH3+])C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000634995430 345184541 /nfs/dbraw/zinc/18/45/41/345184541.db2.gz DRXFLLJIOKYOFI-ZJUUUORDSA-N 3 2 203.330 -0.531 20 0 BBADLP CC(C)[C@H](C[NH3+])C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000634995430 345184540 /nfs/dbraw/zinc/18/45/40/345184540.db2.gz DRXFLLJIOKYOFI-ZJUUUORDSA-N 3 2 203.330 -0.531 20 0 BBADLP [NH3+]CC1(C[NH2+]C[C@@H]2C[NH2+]CCCO2)CC1 ZINC000634996129 345186476 /nfs/dbraw/zinc/18/64/76/345186476.db2.gz ZXVFKWRINYFDEV-JTQLQIEISA-N 3 2 213.325 -0.307 20 0 BBADLP [NH3+]CC1(C[NH2+]C[C@H]2C[NH2+]CCCO2)CC1 ZINC000634996130 345186965 /nfs/dbraw/zinc/18/69/65/345186965.db2.gz ZXVFKWRINYFDEV-SNVBAGLBSA-N 3 2 213.325 -0.307 20 0 BBADLP [NH3+]C[C@H]1C[N@@H+](CC2(C[NH3+])CC2)CCCO1 ZINC000634996136 345186719 /nfs/dbraw/zinc/18/67/19/345186719.db2.gz ACRIXWAAFCGGRE-JTQLQIEISA-N 3 2 213.325 -0.225 20 0 BBADLP [NH3+]C[C@H]1C[N@H+](CC2(C[NH3+])CC2)CCCO1 ZINC000634996136 345186715 /nfs/dbraw/zinc/18/67/15/345186715.db2.gz ACRIXWAAFCGGRE-JTQLQIEISA-N 3 2 213.325 -0.225 20 0 BBADLP [NH3+]C[C@@H]1C[N@@H+](CC2(C[NH3+])CC2)CCCO1 ZINC000634996137 345186986 /nfs/dbraw/zinc/18/69/86/345186986.db2.gz ACRIXWAAFCGGRE-SNVBAGLBSA-N 3 2 213.325 -0.225 20 0 BBADLP [NH3+]C[C@@H]1C[N@H+](CC2(C[NH3+])CC2)CCCO1 ZINC000634996137 345186984 /nfs/dbraw/zinc/18/69/84/345186984.db2.gz ACRIXWAAFCGGRE-SNVBAGLBSA-N 3 2 213.325 -0.225 20 0 BBADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)C(=O)N(C)C ZINC000634996179 345187602 /nfs/dbraw/zinc/18/76/02/345187602.db2.gz BTWZDNCMQRGJRH-SILCLGDVSA-N 2 2 211.309 -0.195 20 0 BBADLP CN(C)C(=O)C1([NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000634996339 345187695 /nfs/dbraw/zinc/18/76/95/345187695.db2.gz HKCJYMXJGXVZLL-UHFFFAOYSA-N 2 2 223.320 -0.051 20 0 BBADLP OC[C@@]1(O)CCC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634996704 345191182 /nfs/dbraw/zinc/19/11/82/345191182.db2.gz RBISBMVVRAJGNP-HTAVTVPLSA-N 2 2 226.320 -0.442 20 0 BBADLP OC[C@@]1(O)CCC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634996704 345191181 /nfs/dbraw/zinc/19/11/81/345191181.db2.gz RBISBMVVRAJGNP-HTAVTVPLSA-N 2 2 226.320 -0.442 20 0 BBADLP OC[C@]1(O)CCC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634996705 345191105 /nfs/dbraw/zinc/19/11/05/345191105.db2.gz RBISBMVVRAJGNP-MCIGGMRASA-N 2 2 226.320 -0.442 20 0 BBADLP OC[C@]1(O)CCC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634996705 345191104 /nfs/dbraw/zinc/19/11/04/345191104.db2.gz RBISBMVVRAJGNP-MCIGGMRASA-N 2 2 226.320 -0.442 20 0 BBADLP O=C(C[NH2+]CC12CC(C1)C[NH2+]2)NCC1CC1 ZINC000634996829 345183255 /nfs/dbraw/zinc/18/32/55/345183255.db2.gz WKNLTRAFFKQWQZ-UHFFFAOYSA-N 2 2 223.320 -0.146 20 0 BBADLP CC(C)[C@H](C[NH3+])C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000634996942 345186908 /nfs/dbraw/zinc/18/69/08/345186908.db2.gz ZHFPOKWGNXKTGJ-GHMZBOCLSA-N 3 2 215.341 -0.205 20 0 BBADLP CC(C)[C@H](C[NH3+])C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000634996943 345186582 /nfs/dbraw/zinc/18/65/82/345186582.db2.gz ZHFPOKWGNXKTGJ-MNOVXSKESA-N 3 2 215.341 -0.205 20 0 BBADLP CC(C)[C@@H](C[NH3+])C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000634996944 345186795 /nfs/dbraw/zinc/18/67/95/345186795.db2.gz ZHFPOKWGNXKTGJ-QWRGUYRKSA-N 3 2 215.341 -0.205 20 0 BBADLP CC(C)[C@@H](C[NH3+])C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000634996945 345186451 /nfs/dbraw/zinc/18/64/51/345186451.db2.gz ZHFPOKWGNXKTGJ-WDEREUQCSA-N 3 2 215.341 -0.205 20 0 BBADLP C[NH2+]CCOCC[N@@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634997651 345193406 /nfs/dbraw/zinc/19/34/06/345193406.db2.gz PULRAHMQEOHGIT-UHFFFAOYSA-N 3 2 227.352 -0.094 20 0 BBADLP C[NH2+]CCOCC[N@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634997651 345193402 /nfs/dbraw/zinc/19/34/02/345193402.db2.gz PULRAHMQEOHGIT-UHFFFAOYSA-N 3 2 227.352 -0.094 20 0 BBADLP C[N@@H+](CCOCC[NH3+])CC12CC(C1)C[NH2+]2 ZINC000634997789 345195360 /nfs/dbraw/zinc/19/53/60/345195360.db2.gz SQTYCGPQNLQEDB-UHFFFAOYSA-N 3 2 213.325 -0.355 20 0 BBADLP C[N@H+](CCOCC[NH3+])CC12CC(C1)C[NH2+]2 ZINC000634997789 345195359 /nfs/dbraw/zinc/19/53/59/345195359.db2.gz SQTYCGPQNLQEDB-UHFFFAOYSA-N 3 2 213.325 -0.355 20 0 BBADLP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1C[NH3+] ZINC000634999228 345199795 /nfs/dbraw/zinc/19/97/95/345199795.db2.gz RJNAAJJYLDGZAG-RKDXNWHRSA-N 2 2 209.297 -0.158 20 0 BBADLP C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1C[NH3+] ZINC000634999228 345199794 /nfs/dbraw/zinc/19/97/94/345199794.db2.gz RJNAAJJYLDGZAG-RKDXNWHRSA-N 2 2 209.297 -0.158 20 0 BBADLP C[C@H](C(=O)N1CC[NH+](CCO)CC1)[NH+](C)C ZINC000635247650 345284044 /nfs/dbraw/zinc/28/40/44/345284044.db2.gz CDDWRZCWEHOJFF-SNVBAGLBSA-N 2 2 229.324 -0.927 20 0 BBADLP C[C@H](C(=O)NCCn1cc[nH+]c1)[NH+](C)C ZINC000635282020 345293629 /nfs/dbraw/zinc/29/36/29/345293629.db2.gz SHOJIBURLGQNKA-SECBINFHSA-N 2 2 210.281 -0.051 20 0 BBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)[NH+](C)C ZINC000635313695 345304649 /nfs/dbraw/zinc/30/46/49/345304649.db2.gz NIZFFMGLHINOBS-GHMZBOCLSA-N 2 2 243.351 -0.227 20 0 BBADLP C[C@H](C(=O)N[C@@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC000635313696 345304698 /nfs/dbraw/zinc/30/46/98/345304698.db2.gz NIZFFMGLHINOBS-WDEREUQCSA-N 2 2 243.351 -0.227 20 0 BBADLP C[C@H](C(=O)NCC[N@H+]1CCO[C@H](C)C1)[NH+](C)C ZINC000635464332 345381669 /nfs/dbraw/zinc/38/16/69/345381669.db2.gz FLUBRGJNOUUWOD-GHMZBOCLSA-N 2 2 243.351 -0.227 20 0 BBADLP C[C@H](C(=O)NCC[N@@H+]1CCO[C@H](C)C1)[NH+](C)C ZINC000635464332 345381666 /nfs/dbraw/zinc/38/16/66/345381666.db2.gz FLUBRGJNOUUWOD-GHMZBOCLSA-N 2 2 243.351 -0.227 20 0 BBADLP C[C@H](C(=O)NCC[N@H+]1CCO[C@@H](C)C1)[NH+](C)C ZINC000635464333 345381476 /nfs/dbraw/zinc/38/14/76/345381476.db2.gz FLUBRGJNOUUWOD-WDEREUQCSA-N 2 2 243.351 -0.227 20 0 BBADLP C[C@H](C(=O)NCC[N@@H+]1CCO[C@@H](C)C1)[NH+](C)C ZINC000635464333 345381473 /nfs/dbraw/zinc/38/14/73/345381473.db2.gz FLUBRGJNOUUWOD-WDEREUQCSA-N 2 2 243.351 -0.227 20 0 BBADLP C[C@H](C(=O)N(C)CC[NH+]1CCOCC1)[NH+](C)C ZINC000635479531 345389664 /nfs/dbraw/zinc/38/96/64/345389664.db2.gz OZKSPEYGSRVUSA-LLVKDONJSA-N 2 2 243.351 -0.273 20 0 BBADLP C[C@H](C(=O)NCc1[nH+]ccn1C)[NH+](C)C ZINC000635496400 345398679 /nfs/dbraw/zinc/39/86/79/345398679.db2.gz QXSIMJQUWOHJHJ-MRVPVSSYSA-N 2 2 210.281 -0.014 20 0 BBADLP C[C@H](C(=O)NCC[N@H+]1CCOC[C@H]1C)[NH+](C)C ZINC000635499999 345399716 /nfs/dbraw/zinc/39/97/16/345399716.db2.gz CABRGGVRHYFPDF-GHMZBOCLSA-N 2 2 243.351 -0.227 20 0 BBADLP C[C@H](C(=O)NCC[N@@H+]1CCOC[C@H]1C)[NH+](C)C ZINC000635499999 345399714 /nfs/dbraw/zinc/39/97/14/345399714.db2.gz CABRGGVRHYFPDF-GHMZBOCLSA-N 2 2 243.351 -0.227 20 0 BBADLP C[C@H](C(=O)NCC[N@H+]1CCOC[C@@H]1C)[NH+](C)C ZINC000635500000 345399933 /nfs/dbraw/zinc/39/99/33/345399933.db2.gz CABRGGVRHYFPDF-WDEREUQCSA-N 2 2 243.351 -0.227 20 0 BBADLP C[C@H](C(=O)NCC[N@@H+]1CCOC[C@@H]1C)[NH+](C)C ZINC000635500000 345399931 /nfs/dbraw/zinc/39/99/31/345399931.db2.gz CABRGGVRHYFPDF-WDEREUQCSA-N 2 2 243.351 -0.227 20 0 BBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000635518067 345412548 /nfs/dbraw/zinc/41/25/48/345412548.db2.gz VDSYVJGICDCZKW-GHMZBOCLSA-N 2 2 243.351 -0.539 20 0 BBADLP C[C@H](C(=O)N1CC[NH+](C[C@H](C)O)CC1)[NH+](C)C ZINC000635518068 345412766 /nfs/dbraw/zinc/41/27/66/345412766.db2.gz VDSYVJGICDCZKW-WDEREUQCSA-N 2 2 243.351 -0.539 20 0 BBADLP O=C(NCCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000635528992 345437304 /nfs/dbraw/zinc/43/73/04/345437304.db2.gz ZBNFPEMHWZUKNK-UWVGGRQHSA-N 2 2 235.291 -0.361 20 0 BBADLP COCC[NH+]1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000635556108 345705142 /nfs/dbraw/zinc/70/51/42/345705142.db2.gz KSZLYSSOQCEMKR-LLVKDONJSA-N 2 2 243.351 -0.273 20 0 BBADLP C[C@H](C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000635710961 346010381 /nfs/dbraw/zinc/01/03/81/346010381.db2.gz AMEBNNFCXYSSSG-AXFHLTTASA-N 2 2 243.351 -0.228 20 0 BBADLP C[C@H](C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000635710961 346010379 /nfs/dbraw/zinc/01/03/79/346010379.db2.gz AMEBNNFCXYSSSG-AXFHLTTASA-N 2 2 243.351 -0.228 20 0 BBADLP C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000635710962 346010738 /nfs/dbraw/zinc/01/07/38/346010738.db2.gz AMEBNNFCXYSSSG-GMTAPVOTSA-N 2 2 243.351 -0.228 20 0 BBADLP C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000635710962 346010735 /nfs/dbraw/zinc/01/07/35/346010735.db2.gz AMEBNNFCXYSSSG-GMTAPVOTSA-N 2 2 243.351 -0.228 20 0 BBADLP C[C@H](C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000635710963 346010886 /nfs/dbraw/zinc/01/08/86/346010886.db2.gz AMEBNNFCXYSSSG-HBNTYKKESA-N 2 2 243.351 -0.228 20 0 BBADLP C[C@H](C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000635710963 346010883 /nfs/dbraw/zinc/01/08/83/346010883.db2.gz AMEBNNFCXYSSSG-HBNTYKKESA-N 2 2 243.351 -0.228 20 0 BBADLP C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000635710964 346010573 /nfs/dbraw/zinc/01/05/73/346010573.db2.gz AMEBNNFCXYSSSG-MXWKQRLJSA-N 2 2 243.351 -0.228 20 0 BBADLP C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000635710964 346010569 /nfs/dbraw/zinc/01/05/69/346010569.db2.gz AMEBNNFCXYSSSG-MXWKQRLJSA-N 2 2 243.351 -0.228 20 0 BBADLP C[C@H](C(=O)N1CC[N@@H+](CCO)[C@H](C)C1)[NH+](C)C ZINC000635823648 346078609 /nfs/dbraw/zinc/07/86/09/346078609.db2.gz RTJJCHPCSPUNJJ-GHMZBOCLSA-N 2 2 243.351 -0.539 20 0 BBADLP C[C@H](C(=O)N1CC[N@H+](CCO)[C@H](C)C1)[NH+](C)C ZINC000635823648 346078608 /nfs/dbraw/zinc/07/86/08/346078608.db2.gz RTJJCHPCSPUNJJ-GHMZBOCLSA-N 2 2 243.351 -0.539 20 0 BBADLP C[C@H](C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1)[NH+](C)C ZINC000635823649 346078531 /nfs/dbraw/zinc/07/85/31/346078531.db2.gz RTJJCHPCSPUNJJ-WDEREUQCSA-N 2 2 243.351 -0.539 20 0 BBADLP C[C@H](C(=O)N1CC[N@H+](CCO)[C@@H](C)C1)[NH+](C)C ZINC000635823649 346078529 /nfs/dbraw/zinc/07/85/29/346078529.db2.gz RTJJCHPCSPUNJJ-WDEREUQCSA-N 2 2 243.351 -0.539 20 0 BBADLP C[C@H](C(=O)NCC[N@@H+]1CCCOCC1)[NH+](C)C ZINC000635836282 346081825 /nfs/dbraw/zinc/08/18/25/346081825.db2.gz VGKPBAVDMKAUIA-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP Cc1nc(N)c(CNC(=O)[C@@H](C)[NH+](C)C)c[nH+]1 ZINC000635921697 411985659 /nfs/dbraw/zinc/98/56/59/411985659.db2.gz MZYMELNIXUMJGQ-SSDOTTSWSA-N 2 2 237.307 -0.066 20 0 BBADLP C[C@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)[NH+](C)C ZINC000635985846 346138754 /nfs/dbraw/zinc/13/87/54/346138754.db2.gz KRCGDOCSMNWKAR-BDAKNGLRSA-N 2 2 222.292 -0.126 20 0 BBADLP C[C@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)[NH+](C)C ZINC000635985853 346138771 /nfs/dbraw/zinc/13/87/71/346138771.db2.gz KRCGDOCSMNWKAR-RKDXNWHRSA-N 2 2 222.292 -0.126 20 0 BBADLP C[C@H](C(=O)N1CC[N@@H+](CCO)C[C@H]1C)[NH+](C)C ZINC000636011745 346152986 /nfs/dbraw/zinc/15/29/86/346152986.db2.gz KUXLUJVWZZGEJA-GHMZBOCLSA-N 2 2 243.351 -0.539 20 0 BBADLP C[C@H](C(=O)N1CC[N@H+](CCO)C[C@H]1C)[NH+](C)C ZINC000636011745 346152985 /nfs/dbraw/zinc/15/29/85/346152985.db2.gz KUXLUJVWZZGEJA-GHMZBOCLSA-N 2 2 243.351 -0.539 20 0 BBADLP C[C@H](C(=O)N1CC[N@@H+](CCO)C[C@@H]1C)[NH+](C)C ZINC000636011746 346153459 /nfs/dbraw/zinc/15/34/59/346153459.db2.gz KUXLUJVWZZGEJA-WDEREUQCSA-N 2 2 243.351 -0.539 20 0 BBADLP C[C@H](C(=O)N1CC[N@H+](CCO)C[C@@H]1C)[NH+](C)C ZINC000636011746 346153457 /nfs/dbraw/zinc/15/34/57/346153457.db2.gz KUXLUJVWZZGEJA-WDEREUQCSA-N 2 2 243.351 -0.539 20 0 BBADLP C[C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)[NH+](C)C ZINC000636021527 346159320 /nfs/dbraw/zinc/15/93/20/346159320.db2.gz BXKUGWIPBJMOAV-AXFHLTTASA-N 2 2 241.335 -0.522 20 0 BBADLP C[C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)[NH+](C)C ZINC000636021527 346159317 /nfs/dbraw/zinc/15/93/17/346159317.db2.gz BXKUGWIPBJMOAV-AXFHLTTASA-N 2 2 241.335 -0.522 20 0 BBADLP C[C@H](C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)[NH+](C)C ZINC000636125856 346326592 /nfs/dbraw/zinc/32/65/92/346326592.db2.gz UHRZJVQTFVLOFQ-MWLCHTKSSA-N 2 2 241.335 -0.786 20 0 BBADLP C[NH+](C)CCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000637444041 350585078 /nfs/dbraw/zinc/58/50/78/350585078.db2.gz NWSUUBUQYPEKNZ-JTQLQIEISA-N 2 2 244.339 -0.822 20 0 BBADLP C[NH+](C)CCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637444041 350585076 /nfs/dbraw/zinc/58/50/76/350585076.db2.gz NWSUUBUQYPEKNZ-JTQLQIEISA-N 2 2 244.339 -0.822 20 0 BBADLP C[NH+](C)CCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637444042 350585184 /nfs/dbraw/zinc/58/51/84/350585184.db2.gz NWSUUBUQYPEKNZ-SNVBAGLBSA-N 2 2 244.339 -0.822 20 0 BBADLP C[NH+](C)CCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637444042 350585180 /nfs/dbraw/zinc/58/51/80/350585180.db2.gz NWSUUBUQYPEKNZ-SNVBAGLBSA-N 2 2 244.339 -0.822 20 0 BBADLP CCc1c[nH]c(CC(=O)N2CC[NH2+]CC2)[nH+]1 ZINC000637800722 351636377 /nfs/dbraw/zinc/63/63/77/351636377.db2.gz HTQUZVJNZREICC-UHFFFAOYSA-N 2 2 222.292 -0.054 20 0 BBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH2+]CC1 ZINC000637802638 351638167 /nfs/dbraw/zinc/63/81/67/351638167.db2.gz XWARSQBDWFNNCS-UHFFFAOYSA-N 2 2 208.265 -0.308 20 0 BBADLP CCc1c[nH]c(CC(=O)NCCC[NH3+])[nH+]1 ZINC000637802999 351638541 /nfs/dbraw/zinc/63/85/41/351638541.db2.gz VTHFIZBGJMQORA-UHFFFAOYSA-N 2 2 210.281 -0.020 20 0 BBADLP CCc1c[nH]c(CC(=O)N[C@@H]2CC[NH2+]C2)[nH+]1 ZINC000637812096 351647549 /nfs/dbraw/zinc/64/75/49/351647549.db2.gz PKSFAEDFMPDJMJ-SECBINFHSA-N 2 2 222.292 -0.007 20 0 BBADLP CCc1c[nH]c(CC(=O)N[C@H]2CC[NH2+]C2)[nH+]1 ZINC000637812099 351647600 /nfs/dbraw/zinc/64/76/00/351647600.db2.gz PKSFAEDFMPDJMJ-VIFPVBQESA-N 2 2 222.292 -0.007 20 0 BBADLP CC[NH2+]CCNC(=O)Cc1[nH+]c[nH]c1C ZINC000637826126 351672265 /nfs/dbraw/zinc/67/22/65/351672265.db2.gz JCARUUMSWRHGJD-UHFFFAOYSA-N 2 2 210.281 -0.014 20 0 BBADLP CC[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC000637826126 351672264 /nfs/dbraw/zinc/67/22/64/351672264.db2.gz JCARUUMSWRHGJD-UHFFFAOYSA-N 2 2 210.281 -0.014 20 0 BBADLP CCc1c[nH]c(CC(=O)NCC[NH2+]C)[nH+]1 ZINC000637826201 351672577 /nfs/dbraw/zinc/67/25/77/351672577.db2.gz LQQRHCJZGOFPHS-UHFFFAOYSA-N 2 2 210.281 -0.150 20 0 BBADLP Nc1ccc(NC(=O)CN2CC[NH2+]CC2)c[nH+]1 ZINC000637828830 411958092 /nfs/dbraw/zinc/95/80/92/411958092.db2.gz HNCILLHKOZJCBQ-UHFFFAOYSA-N 2 2 235.291 -0.493 20 0 BBADLP C[C@]1(C(=O)Nc2ccc(N)[nH+]c2)C[NH2+]CCO1 ZINC000637830152 411932737 /nfs/dbraw/zinc/93/27/37/411932737.db2.gz SOCUKVNQIJMYNR-LLVKDONJSA-N 2 2 236.275 -0.019 20 0 BBADLP C[C@@]1(C(=O)Nc2ccc(N)[nH+]c2)C[NH2+]CCO1 ZINC000637830153 411917148 /nfs/dbraw/zinc/91/71/48/411917148.db2.gz SOCUKVNQIJMYNR-NSHDSACASA-N 2 2 236.275 -0.019 20 0 BBADLP C[N@H+]1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000637864502 351725686 /nfs/dbraw/zinc/72/56/86/351725686.db2.gz RXLIWCPPCMSYNC-GHMZBOCLSA-N 3 2 238.335 -0.865 20 0 BBADLP C[N@@H+]1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000637864502 351725680 /nfs/dbraw/zinc/72/56/80/351725680.db2.gz RXLIWCPPCMSYNC-GHMZBOCLSA-N 3 2 238.335 -0.865 20 0 BBADLP C[N@H+]1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000637864503 351725876 /nfs/dbraw/zinc/72/58/76/351725876.db2.gz RXLIWCPPCMSYNC-MNOVXSKESA-N 3 2 238.335 -0.865 20 0 BBADLP C[N@@H+]1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000637864503 351725874 /nfs/dbraw/zinc/72/58/74/351725874.db2.gz RXLIWCPPCMSYNC-MNOVXSKESA-N 3 2 238.335 -0.865 20 0 BBADLP C[N@H+]1CCN(C(=O)C2=CC[C@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000637864504 351725952 /nfs/dbraw/zinc/72/59/52/351725952.db2.gz RXLIWCPPCMSYNC-QWRGUYRKSA-N 3 2 238.335 -0.865 20 0 BBADLP C[N@@H+]1CCN(C(=O)C2=CC[C@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000637864504 351725950 /nfs/dbraw/zinc/72/59/50/351725950.db2.gz RXLIWCPPCMSYNC-QWRGUYRKSA-N 3 2 238.335 -0.865 20 0 BBADLP C[N@H+]1CCN(C(=O)C2=CC[C@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000637864505 351725971 /nfs/dbraw/zinc/72/59/71/351725971.db2.gz RXLIWCPPCMSYNC-WDEREUQCSA-N 3 2 238.335 -0.865 20 0 BBADLP C[N@@H+]1CCN(C(=O)C2=CC[C@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000637864505 351725969 /nfs/dbraw/zinc/72/59/69/351725969.db2.gz RXLIWCPPCMSYNC-WDEREUQCSA-N 3 2 238.335 -0.865 20 0 BBADLP COC1CC(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000637864814 351723616 /nfs/dbraw/zinc/72/36/16/351723616.db2.gz XWGOYGHNXGLSRX-HSOILSAZSA-N 2 2 241.335 -0.487 20 0 BBADLP COC1CC(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000637864815 351723529 /nfs/dbraw/zinc/72/35/29/351723529.db2.gz XWGOYGHNXGLSRX-YVNMAJEFSA-N 2 2 241.335 -0.487 20 0 BBADLP C[N@H+]1CCN(C(=O)CCC2C[NH2+]C2)[C@H](C[NH3+])C1 ZINC000637867230 351728229 /nfs/dbraw/zinc/72/82/29/351728229.db2.gz TWXZIWPWCFSBGB-LLVKDONJSA-N 3 2 240.351 -0.913 20 0 BBADLP C[N@@H+]1CCN(C(=O)CCC2C[NH2+]C2)[C@H](C[NH3+])C1 ZINC000637867230 351728227 /nfs/dbraw/zinc/72/82/27/351728227.db2.gz TWXZIWPWCFSBGB-LLVKDONJSA-N 3 2 240.351 -0.913 20 0 BBADLP C[N@H+]1CCN(C(=O)CCC2C[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000637867232 351728295 /nfs/dbraw/zinc/72/82/95/351728295.db2.gz TWXZIWPWCFSBGB-NSHDSACASA-N 3 2 240.351 -0.913 20 0 BBADLP C[N@@H+]1CCN(C(=O)CCC2C[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000637867232 351728293 /nfs/dbraw/zinc/72/82/93/351728293.db2.gz TWXZIWPWCFSBGB-NSHDSACASA-N 3 2 240.351 -0.913 20 0 BBADLP Nc1nc(N)c(CN2CC[NH+](C3CC3)CC2)c[nH+]1 ZINC000637893710 351765341 /nfs/dbraw/zinc/76/53/41/351765341.db2.gz KTABCZCUIVQVRI-UHFFFAOYSA-N 2 2 248.334 -0.418 20 0 BBADLP O=C(CCC1C[NH2+]C1)NCC[NH+]1CCOCC1 ZINC000638047580 351924699 /nfs/dbraw/zinc/92/46/99/351924699.db2.gz HWLGPBHKDDYTNA-UHFFFAOYSA-N 2 2 241.335 -0.566 20 0 BBADLP CC[NH2+][C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000638047618 351924788 /nfs/dbraw/zinc/92/47/88/351924788.db2.gz IMVUSTLDDHTEHY-JTQLQIEISA-N 2 2 229.324 -0.567 20 0 BBADLP CC[NH2+][C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000638047619 351924683 /nfs/dbraw/zinc/92/46/83/351924683.db2.gz IMVUSTLDDHTEHY-SNVBAGLBSA-N 2 2 229.324 -0.567 20 0 BBADLP CC[NH+]1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638047800 351924558 /nfs/dbraw/zinc/92/45/58/351924558.db2.gz UHUYIFUJPQCXKN-GFCCVEGCSA-N 2 2 241.335 -0.471 20 0 BBADLP CC[NH+]1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638047802 351924612 /nfs/dbraw/zinc/92/46/12/351924612.db2.gz UHUYIFUJPQCXKN-LBPRGKRZSA-N 2 2 241.335 -0.471 20 0 BBADLP [NH3+][C@@H]1CC=C(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000638049084 351926689 /nfs/dbraw/zinc/92/66/89/351926689.db2.gz UGLMMFANJXSWRR-LLVKDONJSA-N 2 2 239.319 -0.518 20 0 BBADLP [NH3+][C@H]1CC=C(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000638049085 351926754 /nfs/dbraw/zinc/92/67/54/351926754.db2.gz UGLMMFANJXSWRR-NSHDSACASA-N 2 2 239.319 -0.518 20 0 BBADLP C[C@]1(C(=O)NCCn2cc[nH+]c2)C[NH2+]CCO1 ZINC000638050971 351929295 /nfs/dbraw/zinc/92/92/95/351929295.db2.gz ALSJFWCAGSQKDW-LLVKDONJSA-N 2 2 238.291 -0.622 20 0 BBADLP C[C@@]1(C(=O)NCCn2cc[nH+]c2)C[NH2+]CCO1 ZINC000638050975 351929437 /nfs/dbraw/zinc/92/94/37/351929437.db2.gz ALSJFWCAGSQKDW-NSHDSACASA-N 2 2 238.291 -0.622 20 0 BBADLP CC[NH2+][C@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000638051923 351929486 /nfs/dbraw/zinc/92/94/86/351929486.db2.gz UZAMIDOUSRYCOJ-SECBINFHSA-N 2 2 210.281 -0.003 20 0 BBADLP CC[NH2+][C@@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000638051925 351929514 /nfs/dbraw/zinc/92/95/14/351929514.db2.gz UZAMIDOUSRYCOJ-VIFPVBQESA-N 2 2 210.281 -0.003 20 0 BBADLP CC[NH2+][C@H](C)C(=O)N1CC[NH+](CCOC)CC1 ZINC000638053726 351931275 /nfs/dbraw/zinc/93/12/75/351931275.db2.gz AYFXUQAXMJNEKZ-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP CC[NH2+][C@@H](C)C(=O)N1CC[NH+](CCOC)CC1 ZINC000638053727 351931375 /nfs/dbraw/zinc/93/13/75/351931375.db2.gz AYFXUQAXMJNEKZ-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP Nc1nc(N)c(CN2CC[N@H+]3CCC[C@H]3C2)c[nH+]1 ZINC000638058156 351932011 /nfs/dbraw/zinc/93/20/11/351932011.db2.gz QDOCXQQNKAZKBR-JTQLQIEISA-N 2 2 248.334 -0.418 20 0 BBADLP Nc1nc(N)c(CN2CC[N@@H+]3CCC[C@H]3C2)c[nH+]1 ZINC000638058156 351932009 /nfs/dbraw/zinc/93/20/09/351932009.db2.gz QDOCXQQNKAZKBR-JTQLQIEISA-N 2 2 248.334 -0.418 20 0 BBADLP Nc1nc(N)c(CN2CC[N@H+]3CCC[C@@H]3C2)c[nH+]1 ZINC000638058157 351931738 /nfs/dbraw/zinc/93/17/38/351931738.db2.gz QDOCXQQNKAZKBR-SNVBAGLBSA-N 2 2 248.334 -0.418 20 0 BBADLP Nc1nc(N)c(CN2CC[N@@H+]3CCC[C@@H]3C2)c[nH+]1 ZINC000638058157 351931736 /nfs/dbraw/zinc/93/17/36/351931736.db2.gz QDOCXQQNKAZKBR-SNVBAGLBSA-N 2 2 248.334 -0.418 20 0 BBADLP CC[NH2+][C@H](C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000638069178 351940750 /nfs/dbraw/zinc/94/07/50/351940750.db2.gz IOQSQRZEVWHIGJ-GHMZBOCLSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[NH2+][C@@H](C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000638069180 351940353 /nfs/dbraw/zinc/94/03/53/351940353.db2.gz IOQSQRZEVWHIGJ-MNOVXSKESA-N 2 2 243.351 -0.179 20 0 BBADLP CC[NH2+][C@@H](C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000638069182 351940621 /nfs/dbraw/zinc/94/06/21/351940621.db2.gz IOQSQRZEVWHIGJ-QWRGUYRKSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[NH2+][C@H](C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000638069303 351941599 /nfs/dbraw/zinc/94/15/99/351941599.db2.gz IOQSQRZEVWHIGJ-WDEREUQCSA-N 2 2 243.351 -0.179 20 0 BBADLP Nc1nc(N)c(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c[nH+]1 ZINC000638089281 351966239 /nfs/dbraw/zinc/96/62/39/351966239.db2.gz MGLNVQVHSOSMBN-WCBMZHEXSA-N 2 2 248.334 -0.514 20 0 BBADLP C[C@H]([NH3+])CC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000638089542 351966222 /nfs/dbraw/zinc/96/62/22/351966222.db2.gz AZGWRKWETFWHHR-UWVGGRQHSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@H]([NH3+])CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000638089542 351966220 /nfs/dbraw/zinc/96/62/20/351966220.db2.gz AZGWRKWETFWHHR-UWVGGRQHSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@H]([NH3+])CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000638089543 351966256 /nfs/dbraw/zinc/96/62/56/351966256.db2.gz AZGWRKWETFWHHR-VHSXEESVSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@H]([NH3+])CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000638089543 351966253 /nfs/dbraw/zinc/96/62/53/351966253.db2.gz AZGWRKWETFWHHR-VHSXEESVSA-N 2 2 229.324 -0.439 20 0 BBADLP CC[NH2+][C@H](C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000638090914 351969084 /nfs/dbraw/zinc/96/90/84/351969084.db2.gz MBEMBWAFQKEBKL-GHMZBOCLSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[NH2+][C@H](C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000638090914 351969083 /nfs/dbraw/zinc/96/90/83/351969083.db2.gz MBEMBWAFQKEBKL-GHMZBOCLSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000638090915 351969482 /nfs/dbraw/zinc/96/94/82/351969482.db2.gz MBEMBWAFQKEBKL-MNOVXSKESA-N 2 2 243.351 -0.179 20 0 BBADLP CC[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000638090915 351969481 /nfs/dbraw/zinc/96/94/81/351969481.db2.gz MBEMBWAFQKEBKL-MNOVXSKESA-N 2 2 243.351 -0.179 20 0 BBADLP CC[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000638090917 351969366 /nfs/dbraw/zinc/96/93/66/351969366.db2.gz MBEMBWAFQKEBKL-QWRGUYRKSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000638090917 351969364 /nfs/dbraw/zinc/96/93/64/351969364.db2.gz MBEMBWAFQKEBKL-QWRGUYRKSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[NH2+][C@H](C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000638090919 351969292 /nfs/dbraw/zinc/96/92/92/351969292.db2.gz MBEMBWAFQKEBKL-WDEREUQCSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[NH2+][C@H](C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000638090919 351969290 /nfs/dbraw/zinc/96/92/90/351969290.db2.gz MBEMBWAFQKEBKL-WDEREUQCSA-N 2 2 243.351 -0.179 20 0 BBADLP Cc1c[nH+]ccc1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638098133 351979748 /nfs/dbraw/zinc/97/97/48/351979748.db2.gz JQTBCDYRZQTPKK-WCBMZHEXSA-N 2 2 221.260 -0.133 20 0 BBADLP CC[NH2+][C@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000638098999 351978435 /nfs/dbraw/zinc/97/84/35/351978435.db2.gz RIAYKMMUHABBRO-GHMZBOCLSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[NH2+][C@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000638098999 351978434 /nfs/dbraw/zinc/97/84/34/351978434.db2.gz RIAYKMMUHABBRO-GHMZBOCLSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000638099001 351979186 /nfs/dbraw/zinc/97/91/86/351979186.db2.gz RIAYKMMUHABBRO-MNOVXSKESA-N 2 2 243.351 -0.179 20 0 BBADLP CC[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000638099001 351979185 /nfs/dbraw/zinc/97/91/85/351979185.db2.gz RIAYKMMUHABBRO-MNOVXSKESA-N 2 2 243.351 -0.179 20 0 BBADLP CC[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000638099003 351978725 /nfs/dbraw/zinc/97/87/25/351978725.db2.gz RIAYKMMUHABBRO-QWRGUYRKSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000638099003 351978723 /nfs/dbraw/zinc/97/87/23/351978723.db2.gz RIAYKMMUHABBRO-QWRGUYRKSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[NH2+][C@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000638099004 351979086 /nfs/dbraw/zinc/97/90/86/351979086.db2.gz RIAYKMMUHABBRO-WDEREUQCSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[NH2+][C@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000638099004 351979083 /nfs/dbraw/zinc/97/90/83/351979083.db2.gz RIAYKMMUHABBRO-WDEREUQCSA-N 2 2 243.351 -0.179 20 0 BBADLP Cn1cc[nH+]c1CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638101931 351982736 /nfs/dbraw/zinc/98/27/36/351982736.db2.gz FPEWDRGZWKCISA-LLVKDONJSA-N 2 2 238.291 -0.585 20 0 BBADLP Cn1cc[nH+]c1CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638101944 351982758 /nfs/dbraw/zinc/98/27/58/351982758.db2.gz FPEWDRGZWKCISA-NSHDSACASA-N 2 2 238.291 -0.585 20 0 BBADLP C[C@]1(C(=O)NCCc2[nH]cc[nH+]2)C[NH2+]CCO1 ZINC000638113963 351990823 /nfs/dbraw/zinc/99/08/23/351990823.db2.gz RSKOLTSLFAQXGA-LLVKDONJSA-N 2 2 238.291 -0.553 20 0 BBADLP C[C@@]1(C(=O)NCCc2[nH]cc[nH+]2)C[NH2+]CCO1 ZINC000638113964 351990846 /nfs/dbraw/zinc/99/08/46/351990846.db2.gz RSKOLTSLFAQXGA-NSHDSACASA-N 2 2 238.291 -0.553 20 0 BBADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000638115396 351992241 /nfs/dbraw/zinc/99/22/41/351992241.db2.gz SDCJYJHWQVDJLK-GZMMTYOYSA-N 2 2 238.291 -0.207 20 0 BBADLP CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000638115397 351992202 /nfs/dbraw/zinc/99/22/02/351992202.db2.gz SDCJYJHWQVDJLK-KCJUWKMLSA-N 2 2 238.291 -0.207 20 0 BBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000638115398 351992212 /nfs/dbraw/zinc/99/22/12/351992212.db2.gz SDCJYJHWQVDJLK-KWQFWETISA-N 2 2 238.291 -0.207 20 0 BBADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000638115399 351992248 /nfs/dbraw/zinc/99/22/48/351992248.db2.gz SDCJYJHWQVDJLK-LDYMZIIASA-N 2 2 238.291 -0.207 20 0 BBADLP C[C@@]1(C(=O)NCc2[nH]cc[nH+]2)C[NH2+]CCO1 ZINC000638116131 491112394 /nfs/dbraw/zinc/11/23/94/491112394.db2.gz XANAGFJYLUPYLX-JTQLQIEISA-N 2 2 224.264 -0.596 20 0 BBADLP C[C@]1(C(=O)NCc2[nH]cc[nH+]2)C[NH2+]CCO1 ZINC000638116132 491112370 /nfs/dbraw/zinc/11/23/70/491112370.db2.gz XANAGFJYLUPYLX-SNVBAGLBSA-N 2 2 224.264 -0.596 20 0 BBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638134517 352002403 /nfs/dbraw/zinc/00/24/03/352002403.db2.gz VITINOXCCXLAOG-LLVKDONJSA-N 2 2 238.291 -0.287 20 0 BBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638134518 352002443 /nfs/dbraw/zinc/00/24/43/352002443.db2.gz VITINOXCCXLAOG-NSHDSACASA-N 2 2 238.291 -0.287 20 0 BBADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@H](C)C[NH3+] ZINC000638141138 352004729 /nfs/dbraw/zinc/00/47/29/352004729.db2.gz HKMQHCHQMAKJIN-SSDOTTSWSA-N 2 2 210.281 -0.028 20 0 BBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)C[NH3+] ZINC000638141138 352004727 /nfs/dbraw/zinc/00/47/27/352004727.db2.gz HKMQHCHQMAKJIN-SSDOTTSWSA-N 2 2 210.281 -0.028 20 0 BBADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@@H](C)C[NH3+] ZINC000638141139 352004801 /nfs/dbraw/zinc/00/48/01/352004801.db2.gz HKMQHCHQMAKJIN-ZETCQYMHSA-N 2 2 210.281 -0.028 20 0 BBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)C[NH3+] ZINC000638141139 352004797 /nfs/dbraw/zinc/00/47/97/352004797.db2.gz HKMQHCHQMAKJIN-ZETCQYMHSA-N 2 2 210.281 -0.028 20 0 BBADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[NH+](C)CC2)C1 ZINC000638149453 352012831 /nfs/dbraw/zinc/01/28/31/352012831.db2.gz KMVJCSSROWYYDT-CMPLNLGQSA-N 2 2 241.335 -0.473 20 0 BBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[NH+](C)CC2)C1 ZINC000638149454 352012672 /nfs/dbraw/zinc/01/26/72/352012672.db2.gz KMVJCSSROWYYDT-JQWIXIFHSA-N 2 2 241.335 -0.473 20 0 BBADLP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CC[NH+](C)CC2)C1 ZINC000638149455 352012787 /nfs/dbraw/zinc/01/27/87/352012787.db2.gz KMVJCSSROWYYDT-PWSUYJOCSA-N 2 2 241.335 -0.473 20 0 BBADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CC[NH+](C)CC2)C1 ZINC000638149456 352012779 /nfs/dbraw/zinc/01/27/79/352012779.db2.gz KMVJCSSROWYYDT-ZYHUDNBSSA-N 2 2 241.335 -0.473 20 0 BBADLP C[NH+]1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638149820 352013688 /nfs/dbraw/zinc/01/36/88/352013688.db2.gz PZWZAYZHEWGCAP-LLVKDONJSA-N 2 2 227.308 -0.861 20 0 BBADLP C[NH+]1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638149823 352013745 /nfs/dbraw/zinc/01/37/45/352013745.db2.gz PZWZAYZHEWGCAP-NSHDSACASA-N 2 2 227.308 -0.861 20 0 BBADLP COCC[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC000638151468 352012182 /nfs/dbraw/zinc/01/21/82/352012182.db2.gz CUAFDPKHOHQMHK-UHFFFAOYSA-N 2 2 240.307 -0.387 20 0 BBADLP CCc1c[nH]c(CC(=O)N[C@H](C)C[NH3+])[nH+]1 ZINC000638170713 352035304 /nfs/dbraw/zinc/03/53/04/352035304.db2.gz HUBOXBAEGJENPR-SSDOTTSWSA-N 2 2 210.281 -0.022 20 0 BBADLP Cc1[nH]c[nH+]c1CC(=O)NCC(F)(F)C[NH3+] ZINC000638173728 352037062 /nfs/dbraw/zinc/03/70/62/352037062.db2.gz DHWQFVQVPCCFKV-UHFFFAOYSA-N 2 2 232.234 -0.029 20 0 BBADLP Cc1[nH+]c[nH]c1CC(=O)NCC(F)(F)C[NH3+] ZINC000638173728 352037059 /nfs/dbraw/zinc/03/70/59/352037059.db2.gz DHWQFVQVPCCFKV-UHFFFAOYSA-N 2 2 232.234 -0.029 20 0 BBADLP Cc1[nH+]ccn1CC(=O)NCC(F)(F)C[NH3+] ZINC000638174386 352042859 /nfs/dbraw/zinc/04/28/59/352042859.db2.gz MVZFCDQUEPZWQY-UHFFFAOYSA-N 2 2 232.234 -0.098 20 0 BBADLP Cc1c[nH+]cn1CC(=O)NCC(F)(F)C[NH3+] ZINC000638175845 352041455 /nfs/dbraw/zinc/04/14/55/352041455.db2.gz OQYZVAXCCSXCAV-UHFFFAOYSA-N 2 2 232.234 -0.098 20 0 BBADLP CCc1c[nH]c(CC(=O)NC[C@@H](C)[NH3+])[nH+]1 ZINC000638209367 352071722 /nfs/dbraw/zinc/07/17/22/352071722.db2.gz APVGLWUUOQPUSZ-SSDOTTSWSA-N 2 2 210.281 -0.022 20 0 BBADLP CCc1c[nH]c(CC(=O)NC[C@H](C)[NH3+])[nH+]1 ZINC000638209370 352071286 /nfs/dbraw/zinc/07/12/86/352071286.db2.gz APVGLWUUOQPUSZ-ZETCQYMHSA-N 2 2 210.281 -0.022 20 0 BBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638212899 352075279 /nfs/dbraw/zinc/07/52/79/352075279.db2.gz ABOJOJFGADXTQW-AOOOYVTPSA-N 2 2 234.303 -0.062 20 0 BBADLP CC[NH2+][C@@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000638227204 352083153 /nfs/dbraw/zinc/08/31/53/352083153.db2.gz NYQMZANBCIEPHK-JTQLQIEISA-N 2 2 229.324 -0.879 20 0 BBADLP CC[NH2+][C@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000638227208 352082608 /nfs/dbraw/zinc/08/26/08/352082608.db2.gz NYQMZANBCIEPHK-SNVBAGLBSA-N 2 2 229.324 -0.879 20 0 BBADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638242130 352089720 /nfs/dbraw/zinc/08/97/20/352089720.db2.gz BWYRDFJDEOWVJR-CDDJKKQXSA-N 2 2 232.287 -0.153 20 0 BBADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638242130 352089718 /nfs/dbraw/zinc/08/97/18/352089718.db2.gz BWYRDFJDEOWVJR-CDDJKKQXSA-N 2 2 232.287 -0.153 20 0 BBADLP CCc1c[nH]c(CC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[nH+]1 ZINC000638244478 398080681 /nfs/dbraw/zinc/08/06/81/398080681.db2.gz WMUNYTGJTYIEGN-GDGBQDQQSA-N 2 2 234.303 -0.151 20 0 BBADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000638245294 352092477 /nfs/dbraw/zinc/09/24/77/352092477.db2.gz NXBGAPUYWUKWQP-VROVMSAKSA-N 2 2 220.276 -0.405 20 0 BBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000638245294 352092476 /nfs/dbraw/zinc/09/24/76/352092476.db2.gz NXBGAPUYWUKWQP-VROVMSAKSA-N 2 2 220.276 -0.405 20 0 BBADLP CC[NH2+][C@H](C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000638273417 352110849 /nfs/dbraw/zinc/11/08/49/352110849.db2.gz ACRJFEGSTIJGRU-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP CC[NH2+][C@@H](C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000638273418 352110475 /nfs/dbraw/zinc/11/04/75/352110475.db2.gz ACRJFEGSTIJGRU-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP C[C@@]1(C(=O)NCc2c[nH]c[nH+]2)C[NH2+]CCO1 ZINC000638280762 352116976 /nfs/dbraw/zinc/11/69/76/352116976.db2.gz FEDBBNRDUUEWKG-JTQLQIEISA-N 2 2 224.264 -0.596 20 0 BBADLP C[C@@]1(C(=O)NCc2c[nH+]c[nH]2)C[NH2+]CCO1 ZINC000638280762 352116975 /nfs/dbraw/zinc/11/69/75/352116975.db2.gz FEDBBNRDUUEWKG-JTQLQIEISA-N 2 2 224.264 -0.596 20 0 BBADLP C[C@]1(C(=O)NCc2c[nH]c[nH+]2)C[NH2+]CCO1 ZINC000638280763 352116841 /nfs/dbraw/zinc/11/68/41/352116841.db2.gz FEDBBNRDUUEWKG-SNVBAGLBSA-N 2 2 224.264 -0.596 20 0 BBADLP C[C@]1(C(=O)NCc2c[nH+]c[nH]2)C[NH2+]CCO1 ZINC000638280763 352116839 /nfs/dbraw/zinc/11/68/39/352116839.db2.gz FEDBBNRDUUEWKG-SNVBAGLBSA-N 2 2 224.264 -0.596 20 0 BBADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000638281922 386109906 /nfs/dbraw/zinc/10/99/06/386109906.db2.gz QJDQUCVJLZQJBS-GXSJLCMTSA-N 2 2 238.291 -0.207 20 0 BBADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000638281922 386109905 /nfs/dbraw/zinc/10/99/05/386109905.db2.gz QJDQUCVJLZQJBS-GXSJLCMTSA-N 2 2 238.291 -0.207 20 0 BBADLP CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000638281923 386108556 /nfs/dbraw/zinc/10/85/56/386108556.db2.gz QJDQUCVJLZQJBS-KOLCDFICSA-N 2 2 238.291 -0.207 20 0 BBADLP CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000638281923 386108550 /nfs/dbraw/zinc/10/85/50/386108550.db2.gz QJDQUCVJLZQJBS-KOLCDFICSA-N 2 2 238.291 -0.207 20 0 BBADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000638281924 386108516 /nfs/dbraw/zinc/10/85/16/386108516.db2.gz QJDQUCVJLZQJBS-MWLCHTKSSA-N 2 2 238.291 -0.207 20 0 BBADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000638281924 386108510 /nfs/dbraw/zinc/10/85/10/386108510.db2.gz QJDQUCVJLZQJBS-MWLCHTKSSA-N 2 2 238.291 -0.207 20 0 BBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000638281925 386109775 /nfs/dbraw/zinc/10/97/75/386109775.db2.gz QJDQUCVJLZQJBS-ONGXEEELSA-N 2 2 238.291 -0.207 20 0 BBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000638281925 386109771 /nfs/dbraw/zinc/10/97/71/386109771.db2.gz QJDQUCVJLZQJBS-ONGXEEELSA-N 2 2 238.291 -0.207 20 0 BBADLP C[NH+](C)CCC[NH2+]Cc1cnc(N)nc1N ZINC000638290988 352127029 /nfs/dbraw/zinc/12/70/29/352127029.db2.gz XKEZIDDRJCONMW-UHFFFAOYSA-N 2 2 224.312 -0.657 20 0 BBADLP C[NH+](C)C(C)(C)CNCc1c[nH+]c(N)nc1N ZINC000638292251 352127687 /nfs/dbraw/zinc/12/76/87/352127687.db2.gz URVHQOKIADFTNL-UHFFFAOYSA-N 2 2 238.339 -0.268 20 0 BBADLP C[NH+]1CCC([NH2+]Cc2cnc(N)nc2N)CC1 ZINC000638305031 352135408 /nfs/dbraw/zinc/13/54/08/352135408.db2.gz XOXLTQXPNQIYRG-UHFFFAOYSA-N 2 2 236.323 -0.514 20 0 BBADLP CCc1c[nH]c(CC(=O)N(C)CC[NH3+])[nH+]1 ZINC000638343576 352162497 /nfs/dbraw/zinc/16/24/97/352162497.db2.gz OIQVRFVMCMYVCU-UHFFFAOYSA-N 2 2 210.281 -0.068 20 0 BBADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638402730 352208876 /nfs/dbraw/zinc/20/88/76/352208876.db2.gz PDFOXXIARMQNIK-LLVKDONJSA-N 2 2 238.291 -0.253 20 0 BBADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638402731 352208720 /nfs/dbraw/zinc/20/87/20/352208720.db2.gz PDFOXXIARMQNIK-NSHDSACASA-N 2 2 238.291 -0.253 20 0 BBADLP C[C@H]([NH3+])CC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000638405194 352212328 /nfs/dbraw/zinc/21/23/28/352212328.db2.gz ARBRTOAOGVKDBY-AXFHLTTASA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@H]([NH3+])CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000638405194 352212327 /nfs/dbraw/zinc/21/23/27/352212327.db2.gz ARBRTOAOGVKDBY-AXFHLTTASA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@H]([NH3+])CC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000638405195 352212135 /nfs/dbraw/zinc/21/21/35/352212135.db2.gz ARBRTOAOGVKDBY-DCAQKATOSA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@H]([NH3+])CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000638405195 352212133 /nfs/dbraw/zinc/21/21/33/352212133.db2.gz ARBRTOAOGVKDBY-DCAQKATOSA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@H]([NH3+])CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000638405196 352212151 /nfs/dbraw/zinc/21/21/51/352212151.db2.gz ARBRTOAOGVKDBY-GARJFASQSA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@H]([NH3+])CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000638405196 352212150 /nfs/dbraw/zinc/21/21/50/352212150.db2.gz ARBRTOAOGVKDBY-GARJFASQSA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@H]([NH3+])CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000638405197 352212103 /nfs/dbraw/zinc/21/21/03/352212103.db2.gz ARBRTOAOGVKDBY-HBNTYKKESA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@H]([NH3+])CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000638405197 352212100 /nfs/dbraw/zinc/21/21/00/352212100.db2.gz ARBRTOAOGVKDBY-HBNTYKKESA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@H]([NH3+])CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000638407547 352213212 /nfs/dbraw/zinc/21/32/12/352213212.db2.gz BHKFICMGLQSYGM-NSHDSACASA-N 3 2 244.383 -0.277 20 0 BBADLP C[C@H]([NH3+])CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000638407547 352213209 /nfs/dbraw/zinc/21/32/09/352213209.db2.gz BHKFICMGLQSYGM-NSHDSACASA-N 3 2 244.383 -0.277 20 0 BBADLP C[NH2+]C[C@@H](C)NC(=O)Cc1[nH+]c[nH]c1C ZINC000638431987 352237174 /nfs/dbraw/zinc/23/71/74/352237174.db2.gz HOTXXLODWBHPCT-SSDOTTSWSA-N 2 2 210.281 -0.015 20 0 BBADLP C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC000638431987 352237171 /nfs/dbraw/zinc/23/71/71/352237171.db2.gz HOTXXLODWBHPCT-SSDOTTSWSA-N 2 2 210.281 -0.015 20 0 BBADLP C[NH2+]C[C@H](C)NC(=O)Cc1[nH+]c[nH]c1C ZINC000638431988 352237241 /nfs/dbraw/zinc/23/72/41/352237241.db2.gz HOTXXLODWBHPCT-ZETCQYMHSA-N 2 2 210.281 -0.015 20 0 BBADLP C[NH2+]C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC000638431988 352237239 /nfs/dbraw/zinc/23/72/39/352237239.db2.gz HOTXXLODWBHPCT-ZETCQYMHSA-N 2 2 210.281 -0.015 20 0 BBADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cnc(N)nc1N ZINC000638468614 352277590 /nfs/dbraw/zinc/27/75/90/352277590.db2.gz UNKJZZXTHZCVAJ-MRVPVSSYSA-N 2 2 238.339 -0.268 20 0 BBADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cnc(N)nc1N ZINC000638468620 352277488 /nfs/dbraw/zinc/27/74/88/352277488.db2.gz UNKJZZXTHZCVAJ-QMMMGPOBSA-N 2 2 238.339 -0.268 20 0 BBADLP CC(C)[N@@H+](C)CCNCc1c[nH+]c(N)nc1N ZINC000638477578 386570218 /nfs/dbraw/zinc/57/02/18/386570218.db2.gz MTTXODRMWUVFDG-UHFFFAOYSA-N 2 2 238.339 -0.268 20 0 BBADLP COCC[N@@H+](C)CC[NH2+]C[C@]1(OC)CCOC1 ZINC000638483687 352293450 /nfs/dbraw/zinc/29/34/50/352293450.db2.gz PFSJZWXLVAEDLS-GFCCVEGCSA-N 2 2 246.351 -0.040 20 0 BBADLP COCC[N@H+](C)CC[NH2+]C[C@]1(OC)CCOC1 ZINC000638483687 352293449 /nfs/dbraw/zinc/29/34/49/352293449.db2.gz PFSJZWXLVAEDLS-GFCCVEGCSA-N 2 2 246.351 -0.040 20 0 BBADLP COCC[N@@H+](C)CC[NH2+]C[C@@]1(OC)CCOC1 ZINC000638483688 352293267 /nfs/dbraw/zinc/29/32/67/352293267.db2.gz PFSJZWXLVAEDLS-LBPRGKRZSA-N 2 2 246.351 -0.040 20 0 BBADLP COCC[N@H+](C)CC[NH2+]C[C@@]1(OC)CCOC1 ZINC000638483688 352293264 /nfs/dbraw/zinc/29/32/64/352293264.db2.gz PFSJZWXLVAEDLS-LBPRGKRZSA-N 2 2 246.351 -0.040 20 0 BBADLP CCN(CC[NH3+])C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000638517202 352345666 /nfs/dbraw/zinc/34/56/66/352345666.db2.gz OMBQXQAOEYRTKN-LLVKDONJSA-N 2 2 242.367 -0.571 20 0 BBADLP CCN(CC[NH3+])C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000638517203 352345804 /nfs/dbraw/zinc/34/58/04/352345804.db2.gz OMBQXQAOEYRTKN-NSHDSACASA-N 2 2 242.367 -0.571 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000638528261 352362873 /nfs/dbraw/zinc/36/28/73/352362873.db2.gz BVZZPYAMXFXIDQ-GHMZBOCLSA-N 3 2 242.367 -0.524 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000638528261 352362870 /nfs/dbraw/zinc/36/28/70/352362870.db2.gz BVZZPYAMXFXIDQ-GHMZBOCLSA-N 3 2 242.367 -0.524 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000638528262 352362692 /nfs/dbraw/zinc/36/26/92/352362692.db2.gz BVZZPYAMXFXIDQ-MNOVXSKESA-N 3 2 242.367 -0.524 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000638528262 352362688 /nfs/dbraw/zinc/36/26/88/352362688.db2.gz BVZZPYAMXFXIDQ-MNOVXSKESA-N 3 2 242.367 -0.524 20 0 BBADLP Cc1[nH]c(C(=O)NCC2([NH3+])CCOCC2)c[nH+]1 ZINC000638540249 385820308 /nfs/dbraw/zinc/82/03/08/385820308.db2.gz LBCYXQBIPKSBEP-UHFFFAOYSA-N 2 2 238.291 -0.044 20 0 BBADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000638573393 352399660 /nfs/dbraw/zinc/39/96/60/352399660.db2.gz CQLFYEBUCVDVEX-GARJFASQSA-N 3 2 242.367 -0.478 20 0 BBADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000638573394 352399557 /nfs/dbraw/zinc/39/95/57/352399557.db2.gz CQLFYEBUCVDVEX-OUAUKWLOSA-N 3 2 242.367 -0.478 20 0 BBADLP C[NH2+]CCOCCNC(=O)CCn1cc[nH+]c1 ZINC000638579116 352409670 /nfs/dbraw/zinc/40/96/70/352409670.db2.gz YEMNOVIMFZSAGA-UHFFFAOYSA-N 2 2 240.307 -0.375 20 0 BBADLP C[NH2+]CCOCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000638579692 352410575 /nfs/dbraw/zinc/41/05/75/352410575.db2.gz VSXAMATUUXAOFH-UHFFFAOYSA-N 2 2 226.280 -0.316 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CCCC[NH3+] ZINC000638608386 386169978 /nfs/dbraw/zinc/16/99/78/386169978.db2.gz ARJBTRPKXAQNSO-JTQLQIEISA-N 2 2 229.324 -0.438 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CCCC[NH3+] ZINC000638608386 386169972 /nfs/dbraw/zinc/16/99/72/386169972.db2.gz ARJBTRPKXAQNSO-JTQLQIEISA-N 2 2 229.324 -0.438 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)CCCC[NH3+] ZINC000638608387 386170818 /nfs/dbraw/zinc/17/08/18/386170818.db2.gz ARJBTRPKXAQNSO-SNVBAGLBSA-N 2 2 229.324 -0.438 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CCCC[NH3+] ZINC000638608387 386170813 /nfs/dbraw/zinc/17/08/13/386170813.db2.gz ARJBTRPKXAQNSO-SNVBAGLBSA-N 2 2 229.324 -0.438 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000638608414 352445056 /nfs/dbraw/zinc/44/50/56/352445056.db2.gz AYMWXWKXABRCEY-CMPLNLGQSA-N 2 2 241.335 -0.567 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000638608414 352445054 /nfs/dbraw/zinc/44/50/54/352445054.db2.gz AYMWXWKXABRCEY-CMPLNLGQSA-N 2 2 241.335 -0.567 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000638608417 352445214 /nfs/dbraw/zinc/44/52/14/352445214.db2.gz AYMWXWKXABRCEY-JQWIXIFHSA-N 2 2 241.335 -0.567 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000638608417 352445210 /nfs/dbraw/zinc/44/52/10/352445210.db2.gz AYMWXWKXABRCEY-JQWIXIFHSA-N 2 2 241.335 -0.567 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000638608421 352445113 /nfs/dbraw/zinc/44/51/13/352445113.db2.gz AYMWXWKXABRCEY-PWSUYJOCSA-N 2 2 241.335 -0.567 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000638608421 352445110 /nfs/dbraw/zinc/44/51/10/352445110.db2.gz AYMWXWKXABRCEY-PWSUYJOCSA-N 2 2 241.335 -0.567 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000638608422 352445326 /nfs/dbraw/zinc/44/53/26/352445326.db2.gz AYMWXWKXABRCEY-ZYHUDNBSSA-N 2 2 241.335 -0.567 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000638608422 352445321 /nfs/dbraw/zinc/44/53/21/352445321.db2.gz AYMWXWKXABRCEY-ZYHUDNBSSA-N 2 2 241.335 -0.567 20 0 BBADLP C[C@H](C[NH3+])C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638608515 352447744 /nfs/dbraw/zinc/44/77/44/352447744.db2.gz BMEOAIGTPSMEPT-BDAKNGLRSA-N 2 2 215.297 -0.972 20 0 BBADLP C[C@H](C[NH3+])C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638608515 352447742 /nfs/dbraw/zinc/44/77/42/352447742.db2.gz BMEOAIGTPSMEPT-BDAKNGLRSA-N 2 2 215.297 -0.972 20 0 BBADLP C[C@@H](C[NH3+])C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638608516 352447686 /nfs/dbraw/zinc/44/76/86/352447686.db2.gz BMEOAIGTPSMEPT-DTWKUNHWSA-N 2 2 215.297 -0.972 20 0 BBADLP C[C@@H](C[NH3+])C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638608516 352447684 /nfs/dbraw/zinc/44/76/84/352447684.db2.gz BMEOAIGTPSMEPT-DTWKUNHWSA-N 2 2 215.297 -0.972 20 0 BBADLP C[C@@H](C[NH3+])C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638608518 352447880 /nfs/dbraw/zinc/44/78/80/352447880.db2.gz BMEOAIGTPSMEPT-IUCAKERBSA-N 2 2 215.297 -0.972 20 0 BBADLP C[C@@H](C[NH3+])C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638608518 352447878 /nfs/dbraw/zinc/44/78/78/352447878.db2.gz BMEOAIGTPSMEPT-IUCAKERBSA-N 2 2 215.297 -0.972 20 0 BBADLP C[C@H](C[NH3+])C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638608521 352447815 /nfs/dbraw/zinc/44/78/15/352447815.db2.gz BMEOAIGTPSMEPT-RKDXNWHRSA-N 2 2 215.297 -0.972 20 0 BBADLP C[C@H](C[NH3+])C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638608521 352447812 /nfs/dbraw/zinc/44/78/12/352447812.db2.gz BMEOAIGTPSMEPT-RKDXNWHRSA-N 2 2 215.297 -0.972 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000638608816 352446098 /nfs/dbraw/zinc/44/60/98/352446098.db2.gz CBAQBMYFISLARJ-CMPLNLGQSA-N 2 2 241.335 -0.425 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000638608816 352446094 /nfs/dbraw/zinc/44/60/94/352446094.db2.gz CBAQBMYFISLARJ-CMPLNLGQSA-N 2 2 241.335 -0.425 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000638608819 352446219 /nfs/dbraw/zinc/44/62/19/352446219.db2.gz CBAQBMYFISLARJ-JQWIXIFHSA-N 2 2 241.335 -0.425 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000638608819 352446214 /nfs/dbraw/zinc/44/62/14/352446214.db2.gz CBAQBMYFISLARJ-JQWIXIFHSA-N 2 2 241.335 -0.425 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000638608821 352445730 /nfs/dbraw/zinc/44/57/30/352445730.db2.gz CBAQBMYFISLARJ-PWSUYJOCSA-N 2 2 241.335 -0.425 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000638608821 352445729 /nfs/dbraw/zinc/44/57/29/352445729.db2.gz CBAQBMYFISLARJ-PWSUYJOCSA-N 2 2 241.335 -0.425 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000638608823 352446170 /nfs/dbraw/zinc/44/61/70/352446170.db2.gz CBAQBMYFISLARJ-ZYHUDNBSSA-N 2 2 241.335 -0.425 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000638608823 352446168 /nfs/dbraw/zinc/44/61/68/352446168.db2.gz CBAQBMYFISLARJ-ZYHUDNBSSA-N 2 2 241.335 -0.425 20 0 BBADLP C[NH2+]CCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638608878 352445874 /nfs/dbraw/zinc/44/58/74/352445874.db2.gz CWBUEMJPGYIRTC-SECBINFHSA-N 2 2 215.297 -0.957 20 0 BBADLP C[NH2+]CCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638608878 352445870 /nfs/dbraw/zinc/44/58/70/352445870.db2.gz CWBUEMJPGYIRTC-SECBINFHSA-N 2 2 215.297 -0.957 20 0 BBADLP C[NH2+]CCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000638608880 352446339 /nfs/dbraw/zinc/44/63/39/352446339.db2.gz CWBUEMJPGYIRTC-VIFPVBQESA-N 2 2 215.297 -0.957 20 0 BBADLP C[NH2+]CCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638608880 352446335 /nfs/dbraw/zinc/44/63/35/352446335.db2.gz CWBUEMJPGYIRTC-VIFPVBQESA-N 2 2 215.297 -0.957 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000638608908 352445786 /nfs/dbraw/zinc/44/57/86/352445786.db2.gz CZBYPEBQUXCUFF-GHMZBOCLSA-N 2 2 241.335 -0.567 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000638608908 352445782 /nfs/dbraw/zinc/44/57/82/352445782.db2.gz CZBYPEBQUXCUFF-GHMZBOCLSA-N 2 2 241.335 -0.567 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000638608909 352446322 /nfs/dbraw/zinc/44/63/22/352446322.db2.gz CZBYPEBQUXCUFF-MNOVXSKESA-N 2 2 241.335 -0.567 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000638608909 352446321 /nfs/dbraw/zinc/44/63/21/352446321.db2.gz CZBYPEBQUXCUFF-MNOVXSKESA-N 2 2 241.335 -0.567 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000638608910 352446115 /nfs/dbraw/zinc/44/61/15/352446115.db2.gz CZBYPEBQUXCUFF-QWRGUYRKSA-N 2 2 241.335 -0.567 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000638608910 352446112 /nfs/dbraw/zinc/44/61/12/352446112.db2.gz CZBYPEBQUXCUFF-QWRGUYRKSA-N 2 2 241.335 -0.567 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000638608911 352445776 /nfs/dbraw/zinc/44/57/76/352445776.db2.gz CZBYPEBQUXCUFF-WDEREUQCSA-N 2 2 241.335 -0.567 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000638608911 352445774 /nfs/dbraw/zinc/44/57/74/352445774.db2.gz CZBYPEBQUXCUFF-WDEREUQCSA-N 2 2 241.335 -0.567 20 0 BBADLP C[NH2+]CCCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000638609078 352447252 /nfs/dbraw/zinc/44/72/52/352447252.db2.gz DPXWDIVGTBPEFL-JTQLQIEISA-N 2 2 229.324 -0.567 20 0 BBADLP C[NH2+]CCCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638609078 352447248 /nfs/dbraw/zinc/44/72/48/352447248.db2.gz DPXWDIVGTBPEFL-JTQLQIEISA-N 2 2 229.324 -0.567 20 0 BBADLP C[NH2+]CCCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638609080 352446974 /nfs/dbraw/zinc/44/69/74/352446974.db2.gz DPXWDIVGTBPEFL-SNVBAGLBSA-N 2 2 229.324 -0.567 20 0 BBADLP C[NH2+]CCCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638609080 352446972 /nfs/dbraw/zinc/44/69/72/352446972.db2.gz DPXWDIVGTBPEFL-SNVBAGLBSA-N 2 2 229.324 -0.567 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC000638609213 352446992 /nfs/dbraw/zinc/44/69/92/352446992.db2.gz FNAHGSNVCYQWCI-SECBINFHSA-N 2 2 227.308 -0.957 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC000638609213 352446989 /nfs/dbraw/zinc/44/69/89/352446989.db2.gz FNAHGSNVCYQWCI-SECBINFHSA-N 2 2 227.308 -0.957 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC000638609214 352446877 /nfs/dbraw/zinc/44/68/77/352446877.db2.gz FNAHGSNVCYQWCI-VIFPVBQESA-N 2 2 227.308 -0.957 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC000638609214 352446873 /nfs/dbraw/zinc/44/68/73/352446873.db2.gz FNAHGSNVCYQWCI-VIFPVBQESA-N 2 2 227.308 -0.957 20 0 BBADLP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638609242 352446714 /nfs/dbraw/zinc/44/67/14/352446714.db2.gz FVPDCMRIOZIVAL-NXEZZACHSA-N 2 2 229.324 -0.584 20 0 BBADLP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638609242 352446712 /nfs/dbraw/zinc/44/67/12/352446712.db2.gz FVPDCMRIOZIVAL-NXEZZACHSA-N 2 2 229.324 -0.584 20 0 BBADLP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638609244 352446927 /nfs/dbraw/zinc/44/69/27/352446927.db2.gz FVPDCMRIOZIVAL-UWVGGRQHSA-N 2 2 229.324 -0.584 20 0 BBADLP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638609244 352446923 /nfs/dbraw/zinc/44/69/23/352446923.db2.gz FVPDCMRIOZIVAL-UWVGGRQHSA-N 2 2 229.324 -0.584 20 0 BBADLP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638609246 352447131 /nfs/dbraw/zinc/44/71/31/352447131.db2.gz FVPDCMRIOZIVAL-VHSXEESVSA-N 2 2 229.324 -0.584 20 0 BBADLP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638609246 352447127 /nfs/dbraw/zinc/44/71/27/352447127.db2.gz FVPDCMRIOZIVAL-VHSXEESVSA-N 2 2 229.324 -0.584 20 0 BBADLP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638609247 352447164 /nfs/dbraw/zinc/44/71/64/352447164.db2.gz FVPDCMRIOZIVAL-ZJUUUORDSA-N 2 2 229.324 -0.584 20 0 BBADLP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638609247 352447159 /nfs/dbraw/zinc/44/71/59/352447159.db2.gz FVPDCMRIOZIVAL-ZJUUUORDSA-N 2 2 229.324 -0.584 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000638609264 352447181 /nfs/dbraw/zinc/44/71/81/352447181.db2.gz FZKBTJSOVLJGIA-NXEZZACHSA-N 2 2 243.351 -0.193 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000638609264 352447177 /nfs/dbraw/zinc/44/71/77/352447177.db2.gz FZKBTJSOVLJGIA-NXEZZACHSA-N 2 2 243.351 -0.193 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000638609265 352447106 /nfs/dbraw/zinc/44/71/06/352447106.db2.gz FZKBTJSOVLJGIA-VHSXEESVSA-N 2 2 243.351 -0.193 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000638609265 352447102 /nfs/dbraw/zinc/44/71/02/352447102.db2.gz FZKBTJSOVLJGIA-VHSXEESVSA-N 2 2 243.351 -0.193 20 0 BBADLP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638609615 352446910 /nfs/dbraw/zinc/44/69/10/352446910.db2.gz FZOSSBORFVKZAO-CMPLNLGQSA-N 2 2 243.351 -0.049 20 0 BBADLP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638609615 352446908 /nfs/dbraw/zinc/44/69/08/352446908.db2.gz FZOSSBORFVKZAO-CMPLNLGQSA-N 2 2 243.351 -0.049 20 0 BBADLP CCC[C@](C)([NH3+])C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638609619 352447009 /nfs/dbraw/zinc/44/70/09/352447009.db2.gz FZOSSBORFVKZAO-JQWIXIFHSA-N 2 2 243.351 -0.049 20 0 BBADLP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638609620 352447061 /nfs/dbraw/zinc/44/70/61/352447061.db2.gz FZOSSBORFVKZAO-PWSUYJOCSA-N 2 2 243.351 -0.049 20 0 BBADLP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638609621 352446831 /nfs/dbraw/zinc/44/68/31/352446831.db2.gz FZOSSBORFVKZAO-ZYHUDNBSSA-N 2 2 243.351 -0.049 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000638609629 352446735 /nfs/dbraw/zinc/44/67/35/352446735.db2.gz GCAZZVODHKVGQM-GHMZBOCLSA-N 2 2 241.335 -0.425 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000638609629 352446733 /nfs/dbraw/zinc/44/67/33/352446733.db2.gz GCAZZVODHKVGQM-GHMZBOCLSA-N 2 2 241.335 -0.425 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000638609630 352446643 /nfs/dbraw/zinc/44/66/43/352446643.db2.gz GCAZZVODHKVGQM-MNOVXSKESA-N 2 2 241.335 -0.425 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000638609630 352446641 /nfs/dbraw/zinc/44/66/41/352446641.db2.gz GCAZZVODHKVGQM-MNOVXSKESA-N 2 2 241.335 -0.425 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000638609632 352446668 /nfs/dbraw/zinc/44/66/68/352446668.db2.gz GCAZZVODHKVGQM-QWRGUYRKSA-N 2 2 241.335 -0.425 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000638609632 352446666 /nfs/dbraw/zinc/44/66/66/352446666.db2.gz GCAZZVODHKVGQM-QWRGUYRKSA-N 2 2 241.335 -0.425 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000638609634 352447221 /nfs/dbraw/zinc/44/72/21/352447221.db2.gz GCAZZVODHKVGQM-WDEREUQCSA-N 2 2 241.335 -0.425 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000638609634 352447218 /nfs/dbraw/zinc/44/72/18/352447218.db2.gz GCAZZVODHKVGQM-WDEREUQCSA-N 2 2 241.335 -0.425 20 0 BBADLP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638609638 352446790 /nfs/dbraw/zinc/44/67/90/352446790.db2.gz GICKBRMOBHXGLL-NXEZZACHSA-N 2 2 229.324 -0.569 20 0 BBADLP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638609638 352446788 /nfs/dbraw/zinc/44/67/88/352446788.db2.gz GICKBRMOBHXGLL-NXEZZACHSA-N 2 2 229.324 -0.569 20 0 BBADLP CC[C@H]([NH2+]C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638609640 352446850 /nfs/dbraw/zinc/44/68/50/352446850.db2.gz GICKBRMOBHXGLL-UWVGGRQHSA-N 2 2 229.324 -0.569 20 0 BBADLP CC[C@H]([NH2+]C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638609640 352446846 /nfs/dbraw/zinc/44/68/46/352446846.db2.gz GICKBRMOBHXGLL-UWVGGRQHSA-N 2 2 229.324 -0.569 20 0 BBADLP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638609642 352446650 /nfs/dbraw/zinc/44/66/50/352446650.db2.gz GICKBRMOBHXGLL-VHSXEESVSA-N 2 2 229.324 -0.569 20 0 BBADLP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638609642 352446648 /nfs/dbraw/zinc/44/66/48/352446648.db2.gz GICKBRMOBHXGLL-VHSXEESVSA-N 2 2 229.324 -0.569 20 0 BBADLP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638609643 352446754 /nfs/dbraw/zinc/44/67/54/352446754.db2.gz GICKBRMOBHXGLL-ZJUUUORDSA-N 2 2 229.324 -0.569 20 0 BBADLP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638609643 352446751 /nfs/dbraw/zinc/44/67/51/352446751.db2.gz GICKBRMOBHXGLL-ZJUUUORDSA-N 2 2 229.324 -0.569 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000638609696 352445834 /nfs/dbraw/zinc/44/58/34/352445834.db2.gz GPENQPOHOHURED-GHMZBOCLSA-N 2 2 241.335 -0.567 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000638609696 352445829 /nfs/dbraw/zinc/44/58/29/352445829.db2.gz GPENQPOHOHURED-GHMZBOCLSA-N 2 2 241.335 -0.567 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000638609698 352445751 /nfs/dbraw/zinc/44/57/51/352445751.db2.gz GPENQPOHOHURED-MNOVXSKESA-N 2 2 241.335 -0.567 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000638609698 352445749 /nfs/dbraw/zinc/44/57/49/352445749.db2.gz GPENQPOHOHURED-MNOVXSKESA-N 2 2 241.335 -0.567 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CCC(C)(C)[NH3+] ZINC000638609767 352450182 /nfs/dbraw/zinc/45/01/82/352450182.db2.gz GYWRYXKPCXWWQA-JTQLQIEISA-N 2 2 243.351 -0.049 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CCC(C)(C)[NH3+] ZINC000638609767 352450180 /nfs/dbraw/zinc/45/01/80/352450180.db2.gz GYWRYXKPCXWWQA-JTQLQIEISA-N 2 2 243.351 -0.049 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)CCC(C)(C)[NH3+] ZINC000638609776 352447603 /nfs/dbraw/zinc/44/76/03/352447603.db2.gz GYWRYXKPCXWWQA-SNVBAGLBSA-N 2 2 243.351 -0.049 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CCC(C)(C)[NH3+] ZINC000638609776 352447600 /nfs/dbraw/zinc/44/76/00/352447600.db2.gz GYWRYXKPCXWWQA-SNVBAGLBSA-N 2 2 243.351 -0.049 20 0 BBADLP CC[NH2+][C@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638609832 352448814 /nfs/dbraw/zinc/44/88/14/352448814.db2.gz HFDLJZVQRCCHNN-NXEZZACHSA-N 2 2 229.324 -0.569 20 0 BBADLP CC[NH2+][C@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638609832 352448812 /nfs/dbraw/zinc/44/88/12/352448812.db2.gz HFDLJZVQRCCHNN-NXEZZACHSA-N 2 2 229.324 -0.569 20 0 BBADLP CC[NH2+][C@@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638609840 352448873 /nfs/dbraw/zinc/44/88/73/352448873.db2.gz HFDLJZVQRCCHNN-UWVGGRQHSA-N 2 2 229.324 -0.569 20 0 BBADLP CC[NH2+][C@@H](C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638609840 352448871 /nfs/dbraw/zinc/44/88/71/352448871.db2.gz HFDLJZVQRCCHNN-UWVGGRQHSA-N 2 2 229.324 -0.569 20 0 BBADLP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638609842 352448408 /nfs/dbraw/zinc/44/84/08/352448408.db2.gz HFDLJZVQRCCHNN-VHSXEESVSA-N 2 2 229.324 -0.569 20 0 BBADLP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638609842 352448405 /nfs/dbraw/zinc/44/84/05/352448405.db2.gz HFDLJZVQRCCHNN-VHSXEESVSA-N 2 2 229.324 -0.569 20 0 BBADLP CC[NH2+][C@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638609844 352448727 /nfs/dbraw/zinc/44/87/27/352448727.db2.gz HFDLJZVQRCCHNN-ZJUUUORDSA-N 2 2 229.324 -0.569 20 0 BBADLP CC[NH2+][C@H](C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638609844 352448726 /nfs/dbraw/zinc/44/87/26/352448726.db2.gz HFDLJZVQRCCHNN-ZJUUUORDSA-N 2 2 229.324 -0.569 20 0 BBADLP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638610134 352448506 /nfs/dbraw/zinc/44/85/06/352448506.db2.gz IQYPKIYDJVQEIX-MNOVXSKESA-N 2 2 243.351 -0.193 20 0 BBADLP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638610134 352448503 /nfs/dbraw/zinc/44/85/03/352448503.db2.gz IQYPKIYDJVQEIX-MNOVXSKESA-N 2 2 243.351 -0.193 20 0 BBADLP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638610138 352448578 /nfs/dbraw/zinc/44/85/78/352448578.db2.gz IQYPKIYDJVQEIX-QWRGUYRKSA-N 2 2 243.351 -0.193 20 0 BBADLP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638610138 352448576 /nfs/dbraw/zinc/44/85/76/352448576.db2.gz IQYPKIYDJVQEIX-QWRGUYRKSA-N 2 2 243.351 -0.193 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C[NH2+]C1CC1 ZINC000638610204 352448495 /nfs/dbraw/zinc/44/84/95/352448495.db2.gz IXPJVVJPFVCPLM-JTQLQIEISA-N 2 2 227.308 -0.815 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C[NH2+]C1CC1 ZINC000638610204 352448492 /nfs/dbraw/zinc/44/84/92/352448492.db2.gz IXPJVVJPFVCPLM-JTQLQIEISA-N 2 2 227.308 -0.815 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)C[NH2+]C1CC1 ZINC000638610207 352448470 /nfs/dbraw/zinc/44/84/70/352448470.db2.gz IXPJVVJPFVCPLM-SNVBAGLBSA-N 2 2 227.308 -0.815 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C[NH2+]C1CC1 ZINC000638610207 352448467 /nfs/dbraw/zinc/44/84/67/352448467.db2.gz IXPJVVJPFVCPLM-SNVBAGLBSA-N 2 2 227.308 -0.815 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000638610209 352448377 /nfs/dbraw/zinc/44/83/77/352448377.db2.gz IXPUBLFXYCMEQZ-AEJSXWLSSA-N 2 2 227.308 -0.830 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000638610209 352448376 /nfs/dbraw/zinc/44/83/76/352448376.db2.gz IXPUBLFXYCMEQZ-AEJSXWLSSA-N 2 2 227.308 -0.830 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000638610212 352448596 /nfs/dbraw/zinc/44/85/96/352448596.db2.gz IXPUBLFXYCMEQZ-GUBZILKMSA-N 2 2 227.308 -0.830 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000638610212 352448593 /nfs/dbraw/zinc/44/85/93/352448593.db2.gz IXPUBLFXYCMEQZ-GUBZILKMSA-N 2 2 227.308 -0.830 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000638610214 352448805 /nfs/dbraw/zinc/44/88/05/352448805.db2.gz IXPUBLFXYCMEQZ-KXUCPTDWSA-N 2 2 227.308 -0.830 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000638610214 352448801 /nfs/dbraw/zinc/44/88/01/352448801.db2.gz IXPUBLFXYCMEQZ-KXUCPTDWSA-N 2 2 227.308 -0.830 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000638610216 352448855 /nfs/dbraw/zinc/44/88/55/352448855.db2.gz IXPUBLFXYCMEQZ-OPRDCNLKSA-N 2 2 227.308 -0.830 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000638610216 352448850 /nfs/dbraw/zinc/44/88/50/352448850.db2.gz IXPUBLFXYCMEQZ-OPRDCNLKSA-N 2 2 227.308 -0.830 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C1([NH3+])CCCC1 ZINC000638610336 352448206 /nfs/dbraw/zinc/44/82/06/352448206.db2.gz KHCHVRVMLBJILG-JTQLQIEISA-N 2 2 241.335 -0.295 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)C1([NH3+])CCCC1 ZINC000638610340 352448224 /nfs/dbraw/zinc/44/82/24/352448224.db2.gz KHCHVRVMLBJILG-SNVBAGLBSA-N 2 2 241.335 -0.295 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)C(C)(C)C[NH3+] ZINC000638610756 352449296 /nfs/dbraw/zinc/44/92/96/352449296.db2.gz KKEHGWHVCXBNLE-SECBINFHSA-N 2 2 229.324 -0.582 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C(C)(C)C[NH3+] ZINC000638610756 352449295 /nfs/dbraw/zinc/44/92/95/352449295.db2.gz KKEHGWHVCXBNLE-SECBINFHSA-N 2 2 229.324 -0.582 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)C[NH3+] ZINC000638610758 352449697 /nfs/dbraw/zinc/44/96/97/352449697.db2.gz KKEHGWHVCXBNLE-VIFPVBQESA-N 2 2 229.324 -0.582 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)C[NH3+] ZINC000638610758 352449694 /nfs/dbraw/zinc/44/96/94/352449694.db2.gz KKEHGWHVCXBNLE-VIFPVBQESA-N 2 2 229.324 -0.582 20 0 BBADLP CC(C)[NH2+]CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000638610793 352449537 /nfs/dbraw/zinc/44/95/37/352449537.db2.gz KVBGFHBTQPYMEC-JTQLQIEISA-N 2 2 229.324 -0.569 20 0 BBADLP CC(C)[NH2+]CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638610794 352449458 /nfs/dbraw/zinc/44/94/58/352449458.db2.gz KVBGFHBTQPYMEC-SNVBAGLBSA-N 2 2 229.324 -0.569 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)CCC[NH3+] ZINC000638610894 352449313 /nfs/dbraw/zinc/44/93/13/352449313.db2.gz LTPODRNEHSFVFT-SECBINFHSA-N 2 2 215.297 -0.828 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CCC[NH3+] ZINC000638610894 352449311 /nfs/dbraw/zinc/44/93/11/352449311.db2.gz LTPODRNEHSFVFT-SECBINFHSA-N 2 2 215.297 -0.828 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CCC[NH3+] ZINC000638610903 352449406 /nfs/dbraw/zinc/44/94/06/352449406.db2.gz LTPODRNEHSFVFT-VIFPVBQESA-N 2 2 215.297 -0.828 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CCC[NH3+] ZINC000638610903 352449404 /nfs/dbraw/zinc/44/94/04/352449404.db2.gz LTPODRNEHSFVFT-VIFPVBQESA-N 2 2 215.297 -0.828 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)C1([NH3+])CCC1 ZINC000638610950 352449360 /nfs/dbraw/zinc/44/93/60/352449360.db2.gz MGHIAEDVYFPVJG-SECBINFHSA-N 2 2 227.308 -0.685 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C1([NH3+])CCC1 ZINC000638610951 352449350 /nfs/dbraw/zinc/44/93/50/352449350.db2.gz MGHIAEDVYFPVJG-VIFPVBQESA-N 2 2 227.308 -0.685 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)CC(C)(C)[NH3+] ZINC000638611361 352449652 /nfs/dbraw/zinc/44/96/52/352449652.db2.gz OJVHOPOHCZRYIZ-SECBINFHSA-N 2 2 229.324 -0.439 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CC(C)(C)[NH3+] ZINC000638611361 352449649 /nfs/dbraw/zinc/44/96/49/352449649.db2.gz OJVHOPOHCZRYIZ-SECBINFHSA-N 2 2 229.324 -0.439 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CC(C)(C)[NH3+] ZINC000638611362 352449449 /nfs/dbraw/zinc/44/94/49/352449449.db2.gz OJVHOPOHCZRYIZ-VIFPVBQESA-N 2 2 229.324 -0.439 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CC(C)(C)[NH3+] ZINC000638611362 352449447 /nfs/dbraw/zinc/44/94/47/352449447.db2.gz OJVHOPOHCZRYIZ-VIFPVBQESA-N 2 2 229.324 -0.439 20 0 BBADLP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638611661 352450828 /nfs/dbraw/zinc/45/08/28/352450828.db2.gz PEGYFTJDBPLWNG-GHMZBOCLSA-N 2 2 243.351 -0.179 20 0 BBADLP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638611661 352450825 /nfs/dbraw/zinc/45/08/25/352450825.db2.gz PEGYFTJDBPLWNG-GHMZBOCLSA-N 2 2 243.351 -0.179 20 0 BBADLP CCC[NH2+][C@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638611662 352451237 /nfs/dbraw/zinc/45/12/37/352451237.db2.gz PEGYFTJDBPLWNG-MNOVXSKESA-N 2 2 243.351 -0.179 20 0 BBADLP CCC[NH2+][C@H](C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638611662 352451234 /nfs/dbraw/zinc/45/12/34/352451234.db2.gz PEGYFTJDBPLWNG-MNOVXSKESA-N 2 2 243.351 -0.179 20 0 BBADLP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638611663 352451360 /nfs/dbraw/zinc/45/13/60/352451360.db2.gz PEGYFTJDBPLWNG-QWRGUYRKSA-N 2 2 243.351 -0.179 20 0 BBADLP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638611663 352451356 /nfs/dbraw/zinc/45/13/56/352451356.db2.gz PEGYFTJDBPLWNG-QWRGUYRKSA-N 2 2 243.351 -0.179 20 0 BBADLP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638611664 352450817 /nfs/dbraw/zinc/45/08/17/352450817.db2.gz PEGYFTJDBPLWNG-WDEREUQCSA-N 2 2 243.351 -0.179 20 0 BBADLP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638611664 352450814 /nfs/dbraw/zinc/45/08/14/352450814.db2.gz PEGYFTJDBPLWNG-WDEREUQCSA-N 2 2 243.351 -0.179 20 0 BBADLP C[C@@H]([NH3+])CCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638611714 352451039 /nfs/dbraw/zinc/45/10/39/352451039.db2.gz PSBHOBMEIUIMMI-NXEZZACHSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@@H]([NH3+])CCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638611714 352451035 /nfs/dbraw/zinc/45/10/35/352451035.db2.gz PSBHOBMEIUIMMI-NXEZZACHSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@H]([NH3+])CCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000638611716 352451191 /nfs/dbraw/zinc/45/11/91/352451191.db2.gz PSBHOBMEIUIMMI-UWVGGRQHSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@H]([NH3+])CCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638611716 352451189 /nfs/dbraw/zinc/45/11/89/352451189.db2.gz PSBHOBMEIUIMMI-UWVGGRQHSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@H]([NH3+])CCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638611719 352450750 /nfs/dbraw/zinc/45/07/50/352450750.db2.gz PSBHOBMEIUIMMI-VHSXEESVSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@H]([NH3+])CCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638611719 352450749 /nfs/dbraw/zinc/45/07/49/352450749.db2.gz PSBHOBMEIUIMMI-VHSXEESVSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@@H]([NH3+])CCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000638611722 352451280 /nfs/dbraw/zinc/45/12/80/352451280.db2.gz PSBHOBMEIUIMMI-ZJUUUORDSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@@H]([NH3+])CCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638611722 352451277 /nfs/dbraw/zinc/45/12/77/352451277.db2.gz PSBHOBMEIUIMMI-ZJUUUORDSA-N 2 2 229.324 -0.439 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CC1(C[NH3+])CC1 ZINC000638611829 352451162 /nfs/dbraw/zinc/45/11/62/352451162.db2.gz QOUUVJWQSMSEND-JTQLQIEISA-N 2 2 241.335 -0.438 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CC1(C[NH3+])CC1 ZINC000638611829 352451159 /nfs/dbraw/zinc/45/11/59/352451159.db2.gz QOUUVJWQSMSEND-JTQLQIEISA-N 2 2 241.335 -0.438 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)CC1(C[NH3+])CC1 ZINC000638611831 352451492 /nfs/dbraw/zinc/45/14/92/352451492.db2.gz QOUUVJWQSMSEND-SNVBAGLBSA-N 2 2 241.335 -0.438 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CC1(C[NH3+])CC1 ZINC000638611831 352451490 /nfs/dbraw/zinc/45/14/90/352451490.db2.gz QOUUVJWQSMSEND-SNVBAGLBSA-N 2 2 241.335 -0.438 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638611838 352451313 /nfs/dbraw/zinc/45/13/13/352451313.db2.gz QVLFTSGGLMOGNI-GHMZBOCLSA-N 2 2 239.319 -0.519 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638611838 352451311 /nfs/dbraw/zinc/45/13/11/352451311.db2.gz QVLFTSGGLMOGNI-GHMZBOCLSA-N 2 2 239.319 -0.519 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638611839 352450871 /nfs/dbraw/zinc/45/08/71/352450871.db2.gz QVLFTSGGLMOGNI-MNOVXSKESA-N 2 2 239.319 -0.519 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638611839 352450867 /nfs/dbraw/zinc/45/08/67/352450867.db2.gz QVLFTSGGLMOGNI-MNOVXSKESA-N 2 2 239.319 -0.519 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638611840 352451024 /nfs/dbraw/zinc/45/10/24/352451024.db2.gz QVLFTSGGLMOGNI-QWRGUYRKSA-N 2 2 239.319 -0.519 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638611840 352451022 /nfs/dbraw/zinc/45/10/22/352451022.db2.gz QVLFTSGGLMOGNI-QWRGUYRKSA-N 2 2 239.319 -0.519 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638611841 352451441 /nfs/dbraw/zinc/45/14/41/352451441.db2.gz QVLFTSGGLMOGNI-WDEREUQCSA-N 2 2 239.319 -0.519 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638611841 352451439 /nfs/dbraw/zinc/45/14/39/352451439.db2.gz QVLFTSGGLMOGNI-WDEREUQCSA-N 2 2 239.319 -0.519 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)CCC1C[NH2+]C1 ZINC000638611988 352451394 /nfs/dbraw/zinc/45/13/94/352451394.db2.gz RKGCIHDJMWCRGQ-LLVKDONJSA-N 2 2 241.335 -0.567 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CCC1C[NH2+]C1 ZINC000638611988 352451393 /nfs/dbraw/zinc/45/13/93/352451393.db2.gz RKGCIHDJMWCRGQ-LLVKDONJSA-N 2 2 241.335 -0.567 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CCC1C[NH2+]C1 ZINC000638611989 352451085 /nfs/dbraw/zinc/45/10/85/352451085.db2.gz RKGCIHDJMWCRGQ-NSHDSACASA-N 2 2 241.335 -0.567 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CCC1C[NH2+]C1 ZINC000638611989 352451081 /nfs/dbraw/zinc/45/10/81/352451081.db2.gz RKGCIHDJMWCRGQ-NSHDSACASA-N 2 2 241.335 -0.567 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CC1([NH3+])CCC1 ZINC000638611994 352451419 /nfs/dbraw/zinc/45/14/19/352451419.db2.gz RLULDJAJEGBUHX-JTQLQIEISA-N 2 2 241.335 -0.295 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CC1([NH3+])CCC1 ZINC000638611994 352451417 /nfs/dbraw/zinc/45/14/17/352451417.db2.gz RLULDJAJEGBUHX-JTQLQIEISA-N 2 2 241.335 -0.295 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)CC1([NH3+])CCC1 ZINC000638611995 352451047 /nfs/dbraw/zinc/45/10/47/352451047.db2.gz RLULDJAJEGBUHX-SNVBAGLBSA-N 2 2 241.335 -0.295 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CC1([NH3+])CCC1 ZINC000638611995 352451045 /nfs/dbraw/zinc/45/10/45/352451045.db2.gz RLULDJAJEGBUHX-SNVBAGLBSA-N 2 2 241.335 -0.295 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)CC[NH2+]C1CC1 ZINC000638612110 352451153 /nfs/dbraw/zinc/45/11/53/352451153.db2.gz SRLGHJJKNBUICD-LLVKDONJSA-N 2 2 241.335 -0.425 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CC[NH2+]C1CC1 ZINC000638612110 352451149 /nfs/dbraw/zinc/45/11/49/352451149.db2.gz SRLGHJJKNBUICD-LLVKDONJSA-N 2 2 241.335 -0.425 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CC[NH2+]C1CC1 ZINC000638612111 352450848 /nfs/dbraw/zinc/45/08/48/352450848.db2.gz SRLGHJJKNBUICD-NSHDSACASA-N 2 2 241.335 -0.425 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CC[NH2+]C1CC1 ZINC000638612111 352450843 /nfs/dbraw/zinc/45/08/43/352450843.db2.gz SRLGHJJKNBUICD-NSHDSACASA-N 2 2 241.335 -0.425 20 0 BBADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638612115 352451202 /nfs/dbraw/zinc/45/12/02/352451202.db2.gz SYWLTVGKDISJBL-AXFHLTTASA-N 2 2 241.335 -0.569 20 0 BBADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638612115 352451197 /nfs/dbraw/zinc/45/11/97/352451197.db2.gz SYWLTVGKDISJBL-AXFHLTTASA-N 2 2 241.335 -0.569 20 0 BBADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638612116 352451430 /nfs/dbraw/zinc/45/14/30/352451430.db2.gz SYWLTVGKDISJBL-DCAQKATOSA-N 2 2 241.335 -0.569 20 0 BBADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638612116 352451426 /nfs/dbraw/zinc/45/14/26/352451426.db2.gz SYWLTVGKDISJBL-DCAQKATOSA-N 2 2 241.335 -0.569 20 0 BBADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638612117 352451348 /nfs/dbraw/zinc/45/13/48/352451348.db2.gz SYWLTVGKDISJBL-GARJFASQSA-N 2 2 241.335 -0.569 20 0 BBADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638612117 352451347 /nfs/dbraw/zinc/45/13/47/352451347.db2.gz SYWLTVGKDISJBL-GARJFASQSA-N 2 2 241.335 -0.569 20 0 BBADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638612118 352451483 /nfs/dbraw/zinc/45/14/83/352451483.db2.gz SYWLTVGKDISJBL-HBNTYKKESA-N 2 2 241.335 -0.569 20 0 BBADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638612118 352451480 /nfs/dbraw/zinc/45/14/80/352451480.db2.gz SYWLTVGKDISJBL-HBNTYKKESA-N 2 2 241.335 -0.569 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000638612298 352452159 /nfs/dbraw/zinc/45/21/59/352452159.db2.gz UIAGFEWNAYGRRB-DBIOUOCHSA-N 2 2 239.319 -0.816 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000638612298 352452156 /nfs/dbraw/zinc/45/21/56/352452156.db2.gz UIAGFEWNAYGRRB-DBIOUOCHSA-N 2 2 239.319 -0.816 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000638612303 352452146 /nfs/dbraw/zinc/45/21/46/352452146.db2.gz UIAGFEWNAYGRRB-YTWAJWBKSA-N 2 2 239.319 -0.816 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000638612303 352452144 /nfs/dbraw/zinc/45/21/44/352452144.db2.gz UIAGFEWNAYGRRB-YTWAJWBKSA-N 2 2 239.319 -0.816 20 0 BBADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638612324 352452097 /nfs/dbraw/zinc/45/20/97/352452097.db2.gz UQMLCYZSAQFMAD-AXFHLTTASA-N 2 2 243.351 -0.193 20 0 BBADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638612324 352452094 /nfs/dbraw/zinc/45/20/94/352452094.db2.gz UQMLCYZSAQFMAD-AXFHLTTASA-N 2 2 243.351 -0.193 20 0 BBADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638612329 352451851 /nfs/dbraw/zinc/45/18/51/352451851.db2.gz UQMLCYZSAQFMAD-DCAQKATOSA-N 2 2 243.351 -0.193 20 0 BBADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638612329 352451849 /nfs/dbraw/zinc/45/18/49/352451849.db2.gz UQMLCYZSAQFMAD-DCAQKATOSA-N 2 2 243.351 -0.193 20 0 BBADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638612336 352452301 /nfs/dbraw/zinc/45/23/01/352452301.db2.gz UQMLCYZSAQFMAD-MXWKQRLJSA-N 2 2 243.351 -0.193 20 0 BBADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638612337 352451939 /nfs/dbraw/zinc/45/19/39/352451939.db2.gz UQMLCYZSAQFMAD-VWYCJHECSA-N 2 2 243.351 -0.193 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000638612341 352452045 /nfs/dbraw/zinc/45/20/45/352452045.db2.gz UTSAXFHUBYFAEI-AXFHLTTASA-N 2 2 241.335 -0.439 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000638612341 352452041 /nfs/dbraw/zinc/45/20/41/352452041.db2.gz UTSAXFHUBYFAEI-AXFHLTTASA-N 2 2 241.335 -0.439 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000638612342 352452215 /nfs/dbraw/zinc/45/22/15/352452215.db2.gz UTSAXFHUBYFAEI-MXWKQRLJSA-N 2 2 241.335 -0.439 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000638612342 352452213 /nfs/dbraw/zinc/45/22/13/352452213.db2.gz UTSAXFHUBYFAEI-MXWKQRLJSA-N 2 2 241.335 -0.439 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)CC1([NH3+])CC1 ZINC000638612399 352452235 /nfs/dbraw/zinc/45/22/35/352452235.db2.gz VNMPOYKIFMBNCO-SECBINFHSA-N 2 2 227.308 -0.685 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CC1([NH3+])CC1 ZINC000638612399 352452233 /nfs/dbraw/zinc/45/22/33/352452233.db2.gz VNMPOYKIFMBNCO-SECBINFHSA-N 2 2 227.308 -0.685 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CC1([NH3+])CC1 ZINC000638612400 352451927 /nfs/dbraw/zinc/45/19/27/352451927.db2.gz VNMPOYKIFMBNCO-VIFPVBQESA-N 2 2 227.308 -0.685 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CC1([NH3+])CC1 ZINC000638612400 352451923 /nfs/dbraw/zinc/45/19/23/352451923.db2.gz VNMPOYKIFMBNCO-VIFPVBQESA-N 2 2 227.308 -0.685 20 0 BBADLP C[C@@H]([NH3+])CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000638612403 352451711 /nfs/dbraw/zinc/45/17/11/352451711.db2.gz VQBRVLNTMLPSLT-BDAKNGLRSA-N 2 2 215.297 -0.830 20 0 BBADLP C[C@@H]([NH3+])CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638612403 352451707 /nfs/dbraw/zinc/45/17/07/352451707.db2.gz VQBRVLNTMLPSLT-BDAKNGLRSA-N 2 2 215.297 -0.830 20 0 BBADLP C[C@H]([NH3+])CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638612404 352451967 /nfs/dbraw/zinc/45/19/67/352451967.db2.gz VQBRVLNTMLPSLT-DTWKUNHWSA-N 2 2 215.297 -0.830 20 0 BBADLP C[C@H]([NH3+])CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638612404 352451964 /nfs/dbraw/zinc/45/19/64/352451964.db2.gz VQBRVLNTMLPSLT-DTWKUNHWSA-N 2 2 215.297 -0.830 20 0 BBADLP C[C@H]([NH3+])CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000638612605 352450290 /nfs/dbraw/zinc/45/02/90/352450290.db2.gz VQBRVLNTMLPSLT-IUCAKERBSA-N 2 2 215.297 -0.830 20 0 BBADLP C[C@H]([NH3+])CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638612605 352450287 /nfs/dbraw/zinc/45/02/87/352450287.db2.gz VQBRVLNTMLPSLT-IUCAKERBSA-N 2 2 215.297 -0.830 20 0 BBADLP C[C@@H]([NH3+])CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638612606 352450013 /nfs/dbraw/zinc/45/00/13/352450013.db2.gz VQBRVLNTMLPSLT-RKDXNWHRSA-N 2 2 215.297 -0.830 20 0 BBADLP C[C@@H]([NH3+])CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638612606 352450009 /nfs/dbraw/zinc/45/00/09/352450009.db2.gz VQBRVLNTMLPSLT-RKDXNWHRSA-N 2 2 215.297 -0.830 20 0 BBADLP CC[C@H]([NH3+])C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638612617 352450020 /nfs/dbraw/zinc/45/00/20/352450020.db2.gz VWUDTGOSNVSHMX-BDAKNGLRSA-N 2 2 215.297 -0.830 20 0 BBADLP CC[C@H]([NH3+])C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638612617 352450018 /nfs/dbraw/zinc/45/00/18/352450018.db2.gz VWUDTGOSNVSHMX-BDAKNGLRSA-N 2 2 215.297 -0.830 20 0 BBADLP CC[C@@H]([NH3+])C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638612618 352450103 /nfs/dbraw/zinc/45/01/03/352450103.db2.gz VWUDTGOSNVSHMX-DTWKUNHWSA-N 2 2 215.297 -0.830 20 0 BBADLP CC[C@@H]([NH3+])C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638612618 352450100 /nfs/dbraw/zinc/45/01/00/352450100.db2.gz VWUDTGOSNVSHMX-DTWKUNHWSA-N 2 2 215.297 -0.830 20 0 BBADLP CC[C@H]([NH3+])C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638612619 352450223 /nfs/dbraw/zinc/45/02/23/352450223.db2.gz VWUDTGOSNVSHMX-IUCAKERBSA-N 2 2 215.297 -0.830 20 0 BBADLP CC[C@H]([NH3+])C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638612619 352450220 /nfs/dbraw/zinc/45/02/20/352450220.db2.gz VWUDTGOSNVSHMX-IUCAKERBSA-N 2 2 215.297 -0.830 20 0 BBADLP CC[C@@H]([NH3+])C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638612620 352450421 /nfs/dbraw/zinc/45/04/21/352450421.db2.gz VWUDTGOSNVSHMX-RKDXNWHRSA-N 2 2 215.297 -0.830 20 0 BBADLP CC[C@@H]([NH3+])C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638612620 352450419 /nfs/dbraw/zinc/45/04/19/352450419.db2.gz VWUDTGOSNVSHMX-RKDXNWHRSA-N 2 2 215.297 -0.830 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)C[NH2+]CC1CC1 ZINC000638612630 352450414 /nfs/dbraw/zinc/45/04/14/352450414.db2.gz WGFZDIICJGWTDX-LLVKDONJSA-N 2 2 241.335 -0.567 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C[NH2+]CC1CC1 ZINC000638612630 352450412 /nfs/dbraw/zinc/45/04/12/352450412.db2.gz WGFZDIICJGWTDX-LLVKDONJSA-N 2 2 241.335 -0.567 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C[NH2+]CC1CC1 ZINC000638612631 352450053 /nfs/dbraw/zinc/45/00/53/352450053.db2.gz WGFZDIICJGWTDX-NSHDSACASA-N 2 2 241.335 -0.567 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C[NH2+]CC1CC1 ZINC000638612631 352450050 /nfs/dbraw/zinc/45/00/50/352450050.db2.gz WGFZDIICJGWTDX-NSHDSACASA-N 2 2 241.335 -0.567 20 0 BBADLP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638612640 352449931 /nfs/dbraw/zinc/44/99/31/352449931.db2.gz WLKXQHPMLAICJG-GUBZILKMSA-N 2 2 229.324 -0.584 20 0 BBADLP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638612640 352449928 /nfs/dbraw/zinc/44/99/28/352449928.db2.gz WLKXQHPMLAICJG-GUBZILKMSA-N 2 2 229.324 -0.584 20 0 BBADLP C[C@@H](C(=O)NC[C@@H]1COCC[N@H+]1C)[C@H](C)[NH3+] ZINC000638612641 352450324 /nfs/dbraw/zinc/45/03/24/352450324.db2.gz WLKXQHPMLAICJG-KXUCPTDWSA-N 2 2 229.324 -0.584 20 0 BBADLP C[C@@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)[C@H](C)[NH3+] ZINC000638612641 352450323 /nfs/dbraw/zinc/45/03/23/352450323.db2.gz WLKXQHPMLAICJG-KXUCPTDWSA-N 2 2 229.324 -0.584 20 0 BBADLP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638612642 352450355 /nfs/dbraw/zinc/45/03/55/352450355.db2.gz WLKXQHPMLAICJG-LPEHRKFASA-N 2 2 229.324 -0.584 20 0 BBADLP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638612642 352450353 /nfs/dbraw/zinc/45/03/53/352450353.db2.gz WLKXQHPMLAICJG-LPEHRKFASA-N 2 2 229.324 -0.584 20 0 BBADLP C[C@@H](C(=O)NC[C@H]1COCC[N@H+]1C)[C@H](C)[NH3+] ZINC000638612643 352450332 /nfs/dbraw/zinc/45/03/32/352450332.db2.gz WLKXQHPMLAICJG-UTLUCORTSA-N 2 2 229.324 -0.584 20 0 BBADLP C[C@@H](C(=O)NC[C@H]1COCC[N@@H+]1C)[C@H](C)[NH3+] ZINC000638612643 352450330 /nfs/dbraw/zinc/45/03/30/352450330.db2.gz WLKXQHPMLAICJG-UTLUCORTSA-N 2 2 229.324 -0.584 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000638612668 352449981 /nfs/dbraw/zinc/44/99/81/352449981.db2.gz XBRFNDXNPYNCFC-GHMZBOCLSA-N 2 2 241.335 -0.439 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000638612668 352449979 /nfs/dbraw/zinc/44/99/79/352449979.db2.gz XBRFNDXNPYNCFC-GHMZBOCLSA-N 2 2 241.335 -0.439 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000638612669 352450313 /nfs/dbraw/zinc/45/03/13/352450313.db2.gz XBRFNDXNPYNCFC-MNOVXSKESA-N 2 2 241.335 -0.439 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000638612669 352450312 /nfs/dbraw/zinc/45/03/12/352450312.db2.gz XBRFNDXNPYNCFC-MNOVXSKESA-N 2 2 241.335 -0.439 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000638612670 352450441 /nfs/dbraw/zinc/45/04/41/352450441.db2.gz XBRFNDXNPYNCFC-QWRGUYRKSA-N 2 2 241.335 -0.439 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000638612670 352450438 /nfs/dbraw/zinc/45/04/38/352450438.db2.gz XBRFNDXNPYNCFC-QWRGUYRKSA-N 2 2 241.335 -0.439 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000638612671 352450266 /nfs/dbraw/zinc/45/02/66/352450266.db2.gz XBRFNDXNPYNCFC-WDEREUQCSA-N 2 2 241.335 -0.439 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000638612671 352450264 /nfs/dbraw/zinc/45/02/64/352450264.db2.gz XBRFNDXNPYNCFC-WDEREUQCSA-N 2 2 241.335 -0.439 20 0 BBADLP C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638612936 352451330 /nfs/dbraw/zinc/45/13/30/352451330.db2.gz YKPYGYQHWPYGMU-NXEZZACHSA-N 2 2 229.324 -0.711 20 0 BBADLP C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638612936 352451328 /nfs/dbraw/zinc/45/13/28/352451328.db2.gz YKPYGYQHWPYGMU-NXEZZACHSA-N 2 2 229.324 -0.711 20 0 BBADLP C[NH2+]C[C@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638612937 352451227 /nfs/dbraw/zinc/45/12/27/352451227.db2.gz YKPYGYQHWPYGMU-UWVGGRQHSA-N 2 2 229.324 -0.711 20 0 BBADLP C[NH2+]C[C@H](C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638612937 352451223 /nfs/dbraw/zinc/45/12/23/352451223.db2.gz YKPYGYQHWPYGMU-UWVGGRQHSA-N 2 2 229.324 -0.711 20 0 BBADLP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638612938 352450788 /nfs/dbraw/zinc/45/07/88/352450788.db2.gz YKPYGYQHWPYGMU-VHSXEESVSA-N 2 2 229.324 -0.711 20 0 BBADLP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638612938 352450785 /nfs/dbraw/zinc/45/07/85/352450785.db2.gz YKPYGYQHWPYGMU-VHSXEESVSA-N 2 2 229.324 -0.711 20 0 BBADLP C[NH2+]C[C@@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638612939 352451173 /nfs/dbraw/zinc/45/11/73/352451173.db2.gz YKPYGYQHWPYGMU-ZJUUUORDSA-N 2 2 229.324 -0.711 20 0 BBADLP C[NH2+]C[C@@H](C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638612939 352451169 /nfs/dbraw/zinc/45/11/69/352451169.db2.gz YKPYGYQHWPYGMU-ZJUUUORDSA-N 2 2 229.324 -0.711 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000638612942 352451450 /nfs/dbraw/zinc/45/14/50/352451450.db2.gz YMLTUFBMLVVQED-GHMZBOCLSA-N 2 2 241.335 -0.425 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000638612942 352451448 /nfs/dbraw/zinc/45/14/48/352451448.db2.gz YMLTUFBMLVVQED-GHMZBOCLSA-N 2 2 241.335 -0.425 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000638612943 352451117 /nfs/dbraw/zinc/45/11/17/352451117.db2.gz YMLTUFBMLVVQED-MNOVXSKESA-N 2 2 241.335 -0.425 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000638612943 352451114 /nfs/dbraw/zinc/45/11/14/352451114.db2.gz YMLTUFBMLVVQED-MNOVXSKESA-N 2 2 241.335 -0.425 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000638612944 352450770 /nfs/dbraw/zinc/45/07/70/352450770.db2.gz YMLTUFBMLVVQED-QWRGUYRKSA-N 2 2 241.335 -0.425 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000638612944 352450767 /nfs/dbraw/zinc/45/07/67/352450767.db2.gz YMLTUFBMLVVQED-QWRGUYRKSA-N 2 2 241.335 -0.425 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000638612945 352450920 /nfs/dbraw/zinc/45/09/20/352450920.db2.gz YMLTUFBMLVVQED-WDEREUQCSA-N 2 2 241.335 -0.425 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000638612945 352450919 /nfs/dbraw/zinc/45/09/19/352450919.db2.gz YMLTUFBMLVVQED-WDEREUQCSA-N 2 2 241.335 -0.425 20 0 BBADLP C[NH2+][C@@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638612947 352450738 /nfs/dbraw/zinc/45/07/38/352450738.db2.gz YPYIMWALTINAAM-DTWKUNHWSA-N 2 2 215.297 -0.959 20 0 BBADLP C[NH2+][C@@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638612947 352450736 /nfs/dbraw/zinc/45/07/36/352450736.db2.gz YPYIMWALTINAAM-DTWKUNHWSA-N 2 2 215.297 -0.959 20 0 BBADLP C[NH2+][C@@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638612948 352451378 /nfs/dbraw/zinc/45/13/78/352451378.db2.gz YPYIMWALTINAAM-IUCAKERBSA-N 2 2 215.297 -0.959 20 0 BBADLP C[NH2+][C@@H](C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638612948 352451375 /nfs/dbraw/zinc/45/13/75/352451375.db2.gz YPYIMWALTINAAM-IUCAKERBSA-N 2 2 215.297 -0.959 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000638612982 352453249 /nfs/dbraw/zinc/45/32/49/352453249.db2.gz ZFGAKLBSFYHKAU-NXEZZACHSA-N 2 2 227.308 -0.815 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000638612982 352453246 /nfs/dbraw/zinc/45/32/46/352453246.db2.gz ZFGAKLBSFYHKAU-NXEZZACHSA-N 2 2 227.308 -0.815 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638612983 352453492 /nfs/dbraw/zinc/45/34/92/352453492.db2.gz ZFGAKLBSFYHKAU-UWVGGRQHSA-N 2 2 227.308 -0.815 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638612983 352453490 /nfs/dbraw/zinc/45/34/90/352453490.db2.gz ZFGAKLBSFYHKAU-UWVGGRQHSA-N 2 2 227.308 -0.815 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000638612984 352453567 /nfs/dbraw/zinc/45/35/67/352453567.db2.gz ZFGAKLBSFYHKAU-VHSXEESVSA-N 2 2 227.308 -0.815 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000638612984 352453566 /nfs/dbraw/zinc/45/35/66/352453566.db2.gz ZFGAKLBSFYHKAU-VHSXEESVSA-N 2 2 227.308 -0.815 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638612985 352453579 /nfs/dbraw/zinc/45/35/79/352453579.db2.gz ZFGAKLBSFYHKAU-ZJUUUORDSA-N 2 2 227.308 -0.815 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638612985 352453578 /nfs/dbraw/zinc/45/35/78/352453578.db2.gz ZFGAKLBSFYHKAU-ZJUUUORDSA-N 2 2 227.308 -0.815 20 0 BBADLP CC(C)[NH2+]CCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638615099 352454524 /nfs/dbraw/zinc/45/45/24/352454524.db2.gz WRKIHBZLFMKKFJ-LLVKDONJSA-N 2 2 243.351 -0.179 20 0 BBADLP CC(C)[NH2+]CCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638615099 352454519 /nfs/dbraw/zinc/45/45/19/352454519.db2.gz WRKIHBZLFMKKFJ-LLVKDONJSA-N 2 2 243.351 -0.179 20 0 BBADLP CC(C)[NH2+]CCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000638615100 352454448 /nfs/dbraw/zinc/45/44/48/352454448.db2.gz WRKIHBZLFMKKFJ-NSHDSACASA-N 2 2 243.351 -0.179 20 0 BBADLP CC(C)[NH2+]CCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638615100 352454445 /nfs/dbraw/zinc/45/44/45/352454445.db2.gz WRKIHBZLFMKKFJ-NSHDSACASA-N 2 2 243.351 -0.179 20 0 BBADLP Cc1[nH]c(C(=O)NC2(C[NH3+])CCOCC2)c[nH+]1 ZINC000638634582 352476542 /nfs/dbraw/zinc/47/65/42/352476542.db2.gz QYTDHKORGWIMIS-UHFFFAOYSA-N 2 2 238.291 -0.044 20 0 BBADLP C[C@@H]1CC[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C[NH2+]1 ZINC000638641545 352484726 /nfs/dbraw/zinc/48/47/26/352484726.db2.gz DITXQCURUVICRZ-GMTAPVOTSA-N 3 2 242.367 -0.478 20 0 BBADLP C[C@@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C[NH2+]1 ZINC000638641546 352484962 /nfs/dbraw/zinc/48/49/62/352484962.db2.gz DITXQCURUVICRZ-MXWKQRLJSA-N 3 2 242.367 -0.478 20 0 BBADLP C[C@@H]1CC[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C[NH2+]1 ZINC000638641547 352484689 /nfs/dbraw/zinc/48/46/89/352484689.db2.gz DITXQCURUVICRZ-OUAUKWLOSA-N 3 2 242.367 -0.478 20 0 BBADLP C[C@@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C[NH2+]1 ZINC000638641548 352484842 /nfs/dbraw/zinc/48/48/42/352484842.db2.gz DITXQCURUVICRZ-VWYCJHECSA-N 3 2 242.367 -0.478 20 0 BBADLP [NH3+]CCCOCCNC(=O)CCn1cc[nH+]c1 ZINC000638661540 352504405 /nfs/dbraw/zinc/50/44/05/352504405.db2.gz TVGHKEQKHSOHLU-UHFFFAOYSA-N 2 2 240.307 -0.245 20 0 BBADLP Cc1[nH]c(C(=O)NCCOCCC[NH3+])c[nH+]1 ZINC000638663567 352507447 /nfs/dbraw/zinc/50/74/47/352507447.db2.gz OYQUPNYGNPHLHR-UHFFFAOYSA-N 2 2 226.280 -0.187 20 0 BBADLP CN(CCOCC[NH3+])C(=O)CCn1cc[nH+]c1 ZINC000638675209 352514445 /nfs/dbraw/zinc/51/44/45/352514445.db2.gz PXQVUEMRRUJJDC-UHFFFAOYSA-N 2 2 240.307 -0.293 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000638726798 352585171 /nfs/dbraw/zinc/58/51/71/352585171.db2.gz BVZZPYAMXFXIDQ-QWRGUYRKSA-N 3 2 242.367 -0.524 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000638726798 352585167 /nfs/dbraw/zinc/58/51/67/352585167.db2.gz BVZZPYAMXFXIDQ-QWRGUYRKSA-N 3 2 242.367 -0.524 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000638726800 352585531 /nfs/dbraw/zinc/58/55/31/352585531.db2.gz BVZZPYAMXFXIDQ-WDEREUQCSA-N 3 2 242.367 -0.524 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000638726800 352585526 /nfs/dbraw/zinc/58/55/26/352585526.db2.gz BVZZPYAMXFXIDQ-WDEREUQCSA-N 3 2 242.367 -0.524 20 0 BBADLP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000638793058 352755855 /nfs/dbraw/zinc/75/58/55/352755855.db2.gz VQLVDGFJLPRVHP-NXEZZACHSA-N 2 2 234.303 -0.076 20 0 BBADLP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000638793059 352756095 /nfs/dbraw/zinc/75/60/95/352756095.db2.gz VQLVDGFJLPRVHP-VHSXEESVSA-N 2 2 234.303 -0.076 20 0 BBADLP C[C@H](CNCc1c[nH+]c(N)nc1N)[NH+](C)C ZINC000638865986 353039757 /nfs/dbraw/zinc/03/97/57/353039757.db2.gz NTBOHNBEDQKZGC-SSDOTTSWSA-N 2 2 224.312 -0.659 20 0 BBADLP C[C@@H](CNCc1c[nH+]c(N)nc1N)[NH+](C)C ZINC000638865987 353039683 /nfs/dbraw/zinc/03/96/83/353039683.db2.gz NTBOHNBEDQKZGC-ZETCQYMHSA-N 2 2 224.312 -0.659 20 0 BBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638918824 353082999 /nfs/dbraw/zinc/08/29/99/353082999.db2.gz VTRHCJNTIPWYKG-IUCAKERBSA-N 2 2 220.276 -0.167 20 0 BBADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638933332 353095702 /nfs/dbraw/zinc/09/57/02/353095702.db2.gz YWTQHNJVPDYGGS-UWVGGRQHSA-N 2 2 220.276 -0.154 20 0 BBADLP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H](C)O1 ZINC000638944600 353146306 /nfs/dbraw/zinc/14/63/06/353146306.db2.gz WHENDEQBNYNMEH-DBIOUOCHSA-N 2 2 243.351 -0.053 20 0 BBADLP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H](C)O1 ZINC000638944601 353146132 /nfs/dbraw/zinc/14/61/32/353146132.db2.gz WHENDEQBNYNMEH-RCWTZXSCSA-N 2 2 243.351 -0.053 20 0 BBADLP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H](C)O1 ZINC000638944602 353146505 /nfs/dbraw/zinc/14/65/05/353146505.db2.gz WHENDEQBNYNMEH-YTWAJWBKSA-N 2 2 243.351 -0.053 20 0 BBADLP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H](C)O1 ZINC000638944603 353146363 /nfs/dbraw/zinc/14/63/63/353146363.db2.gz WHENDEQBNYNMEH-ZNSHCXBVSA-N 2 2 243.351 -0.053 20 0 BBADLP [NH3+]CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986950 353216235 /nfs/dbraw/zinc/21/62/35/353216235.db2.gz JDCAKSNXIZIRHK-UHFFFAOYSA-N 3 2 235.291 -0.612 20 0 BBADLP C[NH2+]CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987308 353212651 /nfs/dbraw/zinc/21/26/51/353212651.db2.gz PEXQQMQIFKUSTD-UHFFFAOYSA-N 3 2 249.318 -0.351 20 0 BBADLP C[C@@H]([NH3+])C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987729 353219605 /nfs/dbraw/zinc/21/96/05/353219605.db2.gz XKBQFDYPMVHOJQ-SECBINFHSA-N 3 2 249.318 -0.223 20 0 BBADLP C[C@H]([NH3+])C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987730 353219617 /nfs/dbraw/zinc/21/96/17/353219617.db2.gz XKBQFDYPMVHOJQ-VIFPVBQESA-N 3 2 249.318 -0.223 20 0 BBADLP [NH3+]CC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639003264 353255580 /nfs/dbraw/zinc/25/55/80/353255580.db2.gz FUXCOOIAKDQZFU-UHFFFAOYSA-N 2 2 249.318 -0.878 20 0 BBADLP CN(Cc1[nH]cc[nH+]1)C(=O)CCOC1C[NH2+]C1 ZINC000639013203 353270970 /nfs/dbraw/zinc/27/09/70/353270970.db2.gz JCYHSQGAURXQMR-UHFFFAOYSA-N 2 2 238.291 -0.253 20 0 BBADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000639016393 353268472 /nfs/dbraw/zinc/26/84/72/353268472.db2.gz IBTRDIXZTKAIIP-MBTKJCJQSA-N 2 2 220.276 -0.167 20 0 BBADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000639016410 353268344 /nfs/dbraw/zinc/26/83/44/353268344.db2.gz IVHCPGBCOOGMAT-LLVKDONJSA-N 2 2 238.291 -0.253 20 0 BBADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000639016411 353268297 /nfs/dbraw/zinc/26/82/97/353268297.db2.gz IVHCPGBCOOGMAT-NSHDSACASA-N 2 2 238.291 -0.253 20 0 BBADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000639052122 353352586 /nfs/dbraw/zinc/35/25/86/353352586.db2.gz BTMNIRYBGAVBMM-LLVKDONJSA-N 2 2 243.351 -0.441 20 0 BBADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000639052122 353352585 /nfs/dbraw/zinc/35/25/85/353352585.db2.gz BTMNIRYBGAVBMM-LLVKDONJSA-N 2 2 243.351 -0.441 20 0 BBADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CCCNC(=O)C1 ZINC000639052123 353352410 /nfs/dbraw/zinc/35/24/10/353352410.db2.gz BTMNIRYBGAVBMM-NSHDSACASA-N 2 2 243.351 -0.441 20 0 BBADLP CC[N@H+](CCO)CC[NH2+][C@H]1CCCNC(=O)C1 ZINC000639052123 353352406 /nfs/dbraw/zinc/35/24/06/353352406.db2.gz BTMNIRYBGAVBMM-NSHDSACASA-N 2 2 243.351 -0.441 20 0 BBADLP CC[N@@H+](CCO)CC[NH2+]C[C@]1(OC)CCOC1 ZINC000639055158 353358103 /nfs/dbraw/zinc/35/81/03/353358103.db2.gz UTASFMPVPJVADZ-GFCCVEGCSA-N 2 2 246.351 -0.304 20 0 BBADLP CC[N@H+](CCO)CC[NH2+]C[C@]1(OC)CCOC1 ZINC000639055158 353358102 /nfs/dbraw/zinc/35/81/02/353358102.db2.gz UTASFMPVPJVADZ-GFCCVEGCSA-N 2 2 246.351 -0.304 20 0 BBADLP CC[N@@H+](CCO)CC[NH2+]C[C@@]1(OC)CCOC1 ZINC000639055162 353358231 /nfs/dbraw/zinc/35/82/31/353358231.db2.gz UTASFMPVPJVADZ-LBPRGKRZSA-N 2 2 246.351 -0.304 20 0 BBADLP CC[N@H+](CCO)CC[NH2+]C[C@@]1(OC)CCOC1 ZINC000639055162 353358229 /nfs/dbraw/zinc/35/82/29/353358229.db2.gz UTASFMPVPJVADZ-LBPRGKRZSA-N 2 2 246.351 -0.304 20 0 BBADLP C[N@@H+]1C[C@H]2CN(Cc3c[nH+]c(N)nc3N)C[C@H]2C1 ZINC000639113177 353710410 /nfs/dbraw/zinc/71/04/10/353710410.db2.gz JWGBBHONMZCOSU-AOOOYVTPSA-N 2 2 248.334 -0.705 20 0 BBADLP C[N@H+]1C[C@H]2CN(Cc3c[nH+]c(N)nc3N)C[C@H]2C1 ZINC000639113177 353710408 /nfs/dbraw/zinc/71/04/08/353710408.db2.gz JWGBBHONMZCOSU-AOOOYVTPSA-N 2 2 248.334 -0.705 20 0 BBADLP C[C@@H](C[NH+](C)C)NCc1c[nH+]c(N)nc1N ZINC000639167200 354048291 /nfs/dbraw/zinc/04/82/91/354048291.db2.gz CEIYNUVPKWZOSF-ZETCQYMHSA-N 2 2 224.312 -0.659 20 0 BBADLP CN(CCC[NH+](C)C)Cc1c[nH+]c(N)nc1N ZINC000639167681 354038767 /nfs/dbraw/zinc/03/87/67/354038767.db2.gz JIZXPTGFSPEUAM-UHFFFAOYSA-N 2 2 238.339 -0.315 20 0 BBADLP CN(CC[NH+](C)C)Cc1c[nH+]c(N)nc1N ZINC000639168232 354070392 /nfs/dbraw/zinc/07/03/92/354070392.db2.gz QRLANNAGRLONOO-UHFFFAOYSA-N 2 2 224.312 -0.705 20 0 BBADLP Nc1nc(N)c(CN2CC[NH+]3CCC2CC3)c[nH+]1 ZINC000639171699 354124909 /nfs/dbraw/zinc/12/49/09/354124909.db2.gz DXPXOPANPRLXKZ-UHFFFAOYSA-N 2 2 248.334 -0.418 20 0 BBADLP C[NH+](C)[C@@H]1CCN(Cc2c[nH+]c(N)nc2N)C1 ZINC000639172406 354150546 /nfs/dbraw/zinc/15/05/46/354150546.db2.gz LJNGNBRXBCPIMD-SECBINFHSA-N 2 2 236.323 -0.562 20 0 BBADLP C[NH+](C)[C@H]1CCN(Cc2c[nH+]c(N)nc2N)C1 ZINC000639172417 354150618 /nfs/dbraw/zinc/15/06/18/354150618.db2.gz LJNGNBRXBCPIMD-VIFPVBQESA-N 2 2 236.323 -0.562 20 0 BBADLP C[N@H+]1C[C@H]2CCN(Cc3c[nH+]c(N)nc3N)[C@@H]2C1 ZINC000639199791 354603558 /nfs/dbraw/zinc/60/35/58/354603558.db2.gz ADMJVWHUICYOCZ-PSASIEDQSA-N 2 2 248.334 -0.562 20 0 BBADLP C[N@@H+]1C[C@H]2CCN(Cc3c[nH+]c(N)nc3N)[C@@H]2C1 ZINC000639199791 354603555 /nfs/dbraw/zinc/60/35/55/354603555.db2.gz ADMJVWHUICYOCZ-PSASIEDQSA-N 2 2 248.334 -0.562 20 0 BBADLP C[N@H+]1C[C@H]2CCN(Cc3c[nH+]c(N)nc3N)[C@H]2C1 ZINC000639199792 354603591 /nfs/dbraw/zinc/60/35/91/354603591.db2.gz ADMJVWHUICYOCZ-SCZZXKLOSA-N 2 2 248.334 -0.562 20 0 BBADLP C[N@@H+]1C[C@H]2CCN(Cc3c[nH+]c(N)nc3N)[C@H]2C1 ZINC000639199792 354603589 /nfs/dbraw/zinc/60/35/89/354603589.db2.gz ADMJVWHUICYOCZ-SCZZXKLOSA-N 2 2 248.334 -0.562 20 0 BBADLP C[N@H+]1C[C@@H]2CCN(Cc3c[nH+]c(N)nc3N)[C@@H]2C1 ZINC000639199793 354603518 /nfs/dbraw/zinc/60/35/18/354603518.db2.gz ADMJVWHUICYOCZ-WCBMZHEXSA-N 2 2 248.334 -0.562 20 0 BBADLP C[N@@H+]1C[C@@H]2CCN(Cc3c[nH+]c(N)nc3N)[C@@H]2C1 ZINC000639199793 354603516 /nfs/dbraw/zinc/60/35/16/354603516.db2.gz ADMJVWHUICYOCZ-WCBMZHEXSA-N 2 2 248.334 -0.562 20 0 BBADLP C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2c[nH+]c(N)nc2N)C1 ZINC000639199794 354603537 /nfs/dbraw/zinc/60/35/37/354603537.db2.gz ADMJVWHUICYOCZ-WPRPVWTQSA-N 2 2 248.334 -0.562 20 0 BBADLP C[N@H+]1C[C@H]2[C@@H](CCN2Cc2c[nH+]c(N)nc2N)C1 ZINC000639199794 354603535 /nfs/dbraw/zinc/60/35/35/354603535.db2.gz ADMJVWHUICYOCZ-WPRPVWTQSA-N 2 2 248.334 -0.562 20 0 BBADLP C[NH+](C)CC(C)(C)NCc1c[nH+]c(N)nc1N ZINC000639246985 355275430 /nfs/dbraw/zinc/27/54/30/355275430.db2.gz NOUUWGGSWXDASF-UHFFFAOYSA-N 2 2 238.339 -0.268 20 0 BBADLP C[N@H+]1CC[C@@H]2CN(Cc3c[nH+]c(N)nc3N)C[C@@H]21 ZINC000639247571 355276187 /nfs/dbraw/zinc/27/61/87/355276187.db2.gz SHNLFHFHBMBYGX-SCZZXKLOSA-N 2 2 248.334 -0.562 20 0 BBADLP C[N@@H+]1CC[C@@H]2CN(Cc3c[nH+]c(N)nc3N)C[C@@H]21 ZINC000639247571 355276184 /nfs/dbraw/zinc/27/61/84/355276184.db2.gz SHNLFHFHBMBYGX-SCZZXKLOSA-N 2 2 248.334 -0.562 20 0 BBADLP CN(Cc1c[nH+]c(N)nc1N)CC1C[NH+](C)C1 ZINC000639309364 355665578 /nfs/dbraw/zinc/66/55/78/355665578.db2.gz NBKFHJTUZPCAJT-UHFFFAOYSA-N 2 2 236.323 -0.705 20 0 BBADLP Cc1[nH+]cc(CN2CC[N@@H+](C)C[C@@H]2CO)n1C ZINC000639335068 355767377 /nfs/dbraw/zinc/76/73/77/355767377.db2.gz YHZQSSKCOKVCKW-GFCCVEGCSA-N 2 2 238.335 -0.163 20 0 BBADLP Cc1[nH+]cc(CN2CC[N@H+](C)C[C@@H]2CO)n1C ZINC000639335068 355767373 /nfs/dbraw/zinc/76/73/73/355767373.db2.gz YHZQSSKCOKVCKW-GFCCVEGCSA-N 2 2 238.335 -0.163 20 0 BBADLP Cc1[nH+]cc(CN2CC[N@@H+](C)C[C@H]2CO)n1C ZINC000639335069 355767667 /nfs/dbraw/zinc/76/76/67/355767667.db2.gz YHZQSSKCOKVCKW-LBPRGKRZSA-N 2 2 238.335 -0.163 20 0 BBADLP Cc1[nH+]cc(CN2CC[N@H+](C)C[C@H]2CO)n1C ZINC000639335069 355767665 /nfs/dbraw/zinc/76/76/65/355767665.db2.gz YHZQSSKCOKVCKW-LBPRGKRZSA-N 2 2 238.335 -0.163 20 0 BBADLP Cn1c[nH+]cc1CN1CC[N@@H+](C)C[C@@H]1CO ZINC000639336220 355769020 /nfs/dbraw/zinc/76/90/20/355769020.db2.gz GBJAMGDFZXOHMI-LLVKDONJSA-N 2 2 224.308 -0.472 20 0 BBADLP Cn1c[nH+]cc1CN1CC[N@H+](C)C[C@@H]1CO ZINC000639336220 355769016 /nfs/dbraw/zinc/76/90/16/355769016.db2.gz GBJAMGDFZXOHMI-LLVKDONJSA-N 2 2 224.308 -0.472 20 0 BBADLP Cn1c[nH+]cc1CN1CC[N@@H+](C)C[C@H]1CO ZINC000639336221 355768970 /nfs/dbraw/zinc/76/89/70/355768970.db2.gz GBJAMGDFZXOHMI-NSHDSACASA-N 2 2 224.308 -0.472 20 0 BBADLP Cn1c[nH+]cc1CN1CC[N@H+](C)C[C@H]1CO ZINC000639336221 355768965 /nfs/dbraw/zinc/76/89/65/355768965.db2.gz GBJAMGDFZXOHMI-NSHDSACASA-N 2 2 224.308 -0.472 20 0 BBADLP O=C1C[C@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)CCCN1 ZINC000639355109 355808424 /nfs/dbraw/zinc/80/84/24/355808424.db2.gz PATKOIPHSFXGTG-GHMZBOCLSA-N 2 2 241.335 -0.689 20 0 BBADLP O=C1C[C@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)CCCN1 ZINC000639355109 355808421 /nfs/dbraw/zinc/80/84/21/355808421.db2.gz PATKOIPHSFXGTG-GHMZBOCLSA-N 2 2 241.335 -0.689 20 0 BBADLP O=C1C[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)CCCN1 ZINC000639355110 355808122 /nfs/dbraw/zinc/80/81/22/355808122.db2.gz PATKOIPHSFXGTG-WDEREUQCSA-N 2 2 241.335 -0.689 20 0 BBADLP O=C1C[C@@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)CCCN1 ZINC000639355110 355808117 /nfs/dbraw/zinc/80/81/17/355808117.db2.gz PATKOIPHSFXGTG-WDEREUQCSA-N 2 2 241.335 -0.689 20 0 BBADLP O=C1C[C@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)CCCN1 ZINC000639357601 355812124 /nfs/dbraw/zinc/81/21/24/355812124.db2.gz PATKOIPHSFXGTG-MNOVXSKESA-N 2 2 241.335 -0.689 20 0 BBADLP O=C1C[C@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)CCCN1 ZINC000639357601 355812121 /nfs/dbraw/zinc/81/21/21/355812121.db2.gz PATKOIPHSFXGTG-MNOVXSKESA-N 2 2 241.335 -0.689 20 0 BBADLP O=C1C[C@@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)CCCN1 ZINC000639357602 355812017 /nfs/dbraw/zinc/81/20/17/355812017.db2.gz PATKOIPHSFXGTG-QWRGUYRKSA-N 2 2 241.335 -0.689 20 0 BBADLP O=C1C[C@@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)CCCN1 ZINC000639357602 355812012 /nfs/dbraw/zinc/81/20/12/355812012.db2.gz PATKOIPHSFXGTG-QWRGUYRKSA-N 2 2 241.335 -0.689 20 0 BBADLP CNC(=O)C[N@@H+](C)CCc1c[nH+]cn1C ZINC000639450545 356234908 /nfs/dbraw/zinc/23/49/08/356234908.db2.gz RODIHRSAWPZWFH-UHFFFAOYSA-N 2 2 210.281 -0.360 20 0 BBADLP CNC(=O)C[N@H+](C)CCc1c[nH+]cn1C ZINC000639450545 356234905 /nfs/dbraw/zinc/23/49/05/356234905.db2.gz RODIHRSAWPZWFH-UHFFFAOYSA-N 2 2 210.281 -0.360 20 0 BBADLP COCC[N@@H+](CCO)CCc1c[nH+]cn1C ZINC000639471968 356260811 /nfs/dbraw/zinc/26/08/11/356260811.db2.gz IPFJEPXRNDGMHK-UHFFFAOYSA-N 2 2 227.308 -0.097 20 0 BBADLP COCC[N@H+](CCO)CCc1c[nH+]cn1C ZINC000639471968 356260808 /nfs/dbraw/zinc/26/08/08/356260808.db2.gz IPFJEPXRNDGMHK-UHFFFAOYSA-N 2 2 227.308 -0.097 20 0 BBADLP Cn1c[nH+]cc1CC[N@H+]1CCNC(=O)CC1 ZINC000639475437 356270111 /nfs/dbraw/zinc/27/01/11/356270111.db2.gz XUMQWELZDILCCL-UHFFFAOYSA-N 2 2 222.292 -0.216 20 0 BBADLP Cn1c[nH+]cc1CC[N@@H+]1CCNC(=O)CC1 ZINC000639475437 356270108 /nfs/dbraw/zinc/27/01/08/356270108.db2.gz XUMQWELZDILCCL-UHFFFAOYSA-N 2 2 222.292 -0.216 20 0 BBADLP Cn1c[nH+]cc1CC[N@@H+](CCO)CCCO ZINC000639485505 356301549 /nfs/dbraw/zinc/30/15/49/356301549.db2.gz NKCXNUVHUYSZKX-UHFFFAOYSA-N 2 2 227.308 -0.361 20 0 BBADLP Cn1c[nH+]cc1CC[N@H+](CCO)CCCO ZINC000639485505 356301547 /nfs/dbraw/zinc/30/15/47/356301547.db2.gz NKCXNUVHUYSZKX-UHFFFAOYSA-N 2 2 227.308 -0.361 20 0 BBADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000639509292 356338208 /nfs/dbraw/zinc/33/82/08/356338208.db2.gz ZYNOESRPPFZZNN-PHIMTYICSA-N 2 2 225.292 -0.610 20 0 BBADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000639509292 356338203 /nfs/dbraw/zinc/33/82/03/356338203.db2.gz ZYNOESRPPFZZNN-PHIMTYICSA-N 2 2 225.292 -0.610 20 0 BBADLP Cn1c[nH+]cc1CC[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000639513670 356351952 /nfs/dbraw/zinc/35/19/52/356351952.db2.gz ICGFPMOJBCISHS-LLVKDONJSA-N 2 2 249.318 -0.328 20 0 BBADLP Cn1c[nH+]cc1CC[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000639513670 356351949 /nfs/dbraw/zinc/35/19/49/356351949.db2.gz ICGFPMOJBCISHS-LLVKDONJSA-N 2 2 249.318 -0.328 20 0 BBADLP Cn1c[nH+]cc1CC[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000639513671 356351865 /nfs/dbraw/zinc/35/18/65/356351865.db2.gz ICGFPMOJBCISHS-NSHDSACASA-N 2 2 249.318 -0.328 20 0 BBADLP Cn1c[nH+]cc1CC[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000639513671 356351863 /nfs/dbraw/zinc/35/18/63/356351863.db2.gz ICGFPMOJBCISHS-NSHDSACASA-N 2 2 249.318 -0.328 20 0 BBADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@H]1CCNC1=O ZINC000639548370 356411715 /nfs/dbraw/zinc/41/17/15/356411715.db2.gz HJJMSLLJOKYQSQ-JTQLQIEISA-N 2 2 222.292 -0.217 20 0 BBADLP Cn1c[nH+]cc1CC[N@H+](C)[C@H]1CCNC1=O ZINC000639548370 356411713 /nfs/dbraw/zinc/41/17/13/356411713.db2.gz HJJMSLLJOKYQSQ-JTQLQIEISA-N 2 2 222.292 -0.217 20 0 BBADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@@H]1CCNC1=O ZINC000639548377 356411335 /nfs/dbraw/zinc/41/13/35/356411335.db2.gz HJJMSLLJOKYQSQ-SNVBAGLBSA-N 2 2 222.292 -0.217 20 0 BBADLP Cn1c[nH+]cc1CC[N@H+](C)[C@@H]1CCNC1=O ZINC000639548377 356411332 /nfs/dbraw/zinc/41/13/32/356411332.db2.gz HJJMSLLJOKYQSQ-SNVBAGLBSA-N 2 2 222.292 -0.217 20 0 BBADLP CC[N@@H+](CCc1c[nH+]cn1C)CC(N)=O ZINC000639609053 356531339 /nfs/dbraw/zinc/53/13/39/356531339.db2.gz DNRJQTHMHIZNKJ-UHFFFAOYSA-N 2 2 210.281 -0.230 20 0 BBADLP CC[N@H+](CCc1c[nH+]cn1C)CC(N)=O ZINC000639609053 356531334 /nfs/dbraw/zinc/53/13/34/356531334.db2.gz DNRJQTHMHIZNKJ-UHFFFAOYSA-N 2 2 210.281 -0.230 20 0 BBADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000639610339 356528094 /nfs/dbraw/zinc/52/80/94/356528094.db2.gz SDPAVVPUPABYRS-CMPLNLGQSA-N 2 2 239.319 -0.362 20 0 BBADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000639610339 356528090 /nfs/dbraw/zinc/52/80/90/356528090.db2.gz SDPAVVPUPABYRS-CMPLNLGQSA-N 2 2 239.319 -0.362 20 0 BBADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000639610340 356528009 /nfs/dbraw/zinc/52/80/09/356528009.db2.gz SDPAVVPUPABYRS-JQWIXIFHSA-N 2 2 239.319 -0.362 20 0 BBADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000639610340 356528005 /nfs/dbraw/zinc/52/80/05/356528005.db2.gz SDPAVVPUPABYRS-JQWIXIFHSA-N 2 2 239.319 -0.362 20 0 BBADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000639610341 356528427 /nfs/dbraw/zinc/52/84/27/356528427.db2.gz SDPAVVPUPABYRS-PWSUYJOCSA-N 2 2 239.319 -0.362 20 0 BBADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000639610341 356528424 /nfs/dbraw/zinc/52/84/24/356528424.db2.gz SDPAVVPUPABYRS-PWSUYJOCSA-N 2 2 239.319 -0.362 20 0 BBADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000639610342 356527854 /nfs/dbraw/zinc/52/78/54/356527854.db2.gz SDPAVVPUPABYRS-ZYHUDNBSSA-N 2 2 239.319 -0.362 20 0 BBADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000639610342 356527850 /nfs/dbraw/zinc/52/78/50/356527850.db2.gz SDPAVVPUPABYRS-ZYHUDNBSSA-N 2 2 239.319 -0.362 20 0 BBADLP Cn1c[nH+]cc1CC[N@H+](C)CCOCCO ZINC000639628561 356544466 /nfs/dbraw/zinc/54/44/66/356544466.db2.gz PYSOUPASJJKQRG-UHFFFAOYSA-N 2 2 227.308 -0.097 20 0 BBADLP Cn1c[nH+]cc1CC[N@H+]1CCOC[C@H]1CO ZINC000639632718 356547548 /nfs/dbraw/zinc/54/75/48/356547548.db2.gz ZYBABCBZNXDKJX-LLVKDONJSA-N 2 2 225.292 -0.344 20 0 BBADLP Cn1c[nH+]cc1CC[N@@H+]1CCOC[C@H]1CO ZINC000639632718 356547542 /nfs/dbraw/zinc/54/75/42/356547542.db2.gz ZYBABCBZNXDKJX-LLVKDONJSA-N 2 2 225.292 -0.344 20 0 BBADLP Cn1c[nH+]cc1CC[N@@H+](C)CCC(N)=O ZINC000639643524 356556798 /nfs/dbraw/zinc/55/67/98/356556798.db2.gz DJTJFVJCRDJNKD-UHFFFAOYSA-N 2 2 210.281 -0.230 20 0 BBADLP Cn1c[nH+]cc1CC[N@H+](C)CCC(N)=O ZINC000639643524 356556796 /nfs/dbraw/zinc/55/67/96/356556796.db2.gz DJTJFVJCRDJNKD-UHFFFAOYSA-N 2 2 210.281 -0.230 20 0 BBADLP C[C@H](O)C[N@@H+](CCO)CCc1c[nH+]cn1C ZINC000639647016 356553948 /nfs/dbraw/zinc/55/39/48/356553948.db2.gz XFYDXEDEWQIXEY-JTQLQIEISA-N 2 2 227.308 -0.362 20 0 BBADLP C[C@H](O)C[N@H+](CCO)CCc1c[nH+]cn1C ZINC000639647016 356553943 /nfs/dbraw/zinc/55/39/43/356553943.db2.gz XFYDXEDEWQIXEY-JTQLQIEISA-N 2 2 227.308 -0.362 20 0 BBADLP C[C@@H](O)C[N@@H+](CCO)CCc1c[nH+]cn1C ZINC000639647017 356553373 /nfs/dbraw/zinc/55/33/73/356553373.db2.gz XFYDXEDEWQIXEY-SNVBAGLBSA-N 2 2 227.308 -0.362 20 0 BBADLP C[C@@H](O)C[N@H+](CCO)CCc1c[nH+]cn1C ZINC000639647017 356553371 /nfs/dbraw/zinc/55/33/71/356553371.db2.gz XFYDXEDEWQIXEY-SNVBAGLBSA-N 2 2 227.308 -0.362 20 0 BBADLP Cn1c[nH+]cc1CC[N@H+]1CCOC[C@H](O)C1 ZINC000639658246 356565893 /nfs/dbraw/zinc/56/58/93/356565893.db2.gz GHZMBRSIISHVDG-LLVKDONJSA-N 2 2 225.292 -0.344 20 0 BBADLP Cn1c[nH+]cc1CC[N@@H+]1CCOC[C@H](O)C1 ZINC000639658246 356565890 /nfs/dbraw/zinc/56/58/90/356565890.db2.gz GHZMBRSIISHVDG-LLVKDONJSA-N 2 2 225.292 -0.344 20 0 BBADLP Cn1c[nH+]cc1CC[N@H+]1CCOC[C@@H](O)C1 ZINC000639658247 356565815 /nfs/dbraw/zinc/56/58/15/356565815.db2.gz GHZMBRSIISHVDG-NSHDSACASA-N 2 2 225.292 -0.344 20 0 BBADLP Cn1c[nH+]cc1CC[N@@H+]1CCOC[C@@H](O)C1 ZINC000639658247 356565810 /nfs/dbraw/zinc/56/58/10/356565810.db2.gz GHZMBRSIISHVDG-NSHDSACASA-N 2 2 225.292 -0.344 20 0 BBADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)CC(=O)N1 ZINC000639666798 356581311 /nfs/dbraw/zinc/58/13/11/356581311.db2.gz VUZHKFMUNROTOF-SECBINFHSA-N 2 2 222.292 -0.217 20 0 BBADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)CC(=O)N1 ZINC000639666798 356581309 /nfs/dbraw/zinc/58/13/09/356581309.db2.gz VUZHKFMUNROTOF-SECBINFHSA-N 2 2 222.292 -0.217 20 0 BBADLP C[C@H]1C[N@@H+](CCc2c[nH+]cn2C)CC(=O)N1 ZINC000639666799 356580934 /nfs/dbraw/zinc/58/09/34/356580934.db2.gz VUZHKFMUNROTOF-VIFPVBQESA-N 2 2 222.292 -0.217 20 0 BBADLP C[C@H]1C[N@H+](CCc2c[nH+]cn2C)CC(=O)N1 ZINC000639666799 356580928 /nfs/dbraw/zinc/58/09/28/356580928.db2.gz VUZHKFMUNROTOF-VIFPVBQESA-N 2 2 222.292 -0.217 20 0 BBADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@](O)(CO)C1 ZINC000639670120 356582186 /nfs/dbraw/zinc/58/21/86/356582186.db2.gz COUYXNONCCUSHZ-GFCCVEGCSA-N 2 2 239.319 -0.218 20 0 BBADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@](O)(CO)C1 ZINC000639670120 356582182 /nfs/dbraw/zinc/58/21/82/356582182.db2.gz COUYXNONCCUSHZ-GFCCVEGCSA-N 2 2 239.319 -0.218 20 0 BBADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@](O)(CO)C1 ZINC000639670121 356582579 /nfs/dbraw/zinc/58/25/79/356582579.db2.gz COUYXNONCCUSHZ-LBPRGKRZSA-N 2 2 239.319 -0.218 20 0 BBADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000639670121 356582577 /nfs/dbraw/zinc/58/25/77/356582577.db2.gz COUYXNONCCUSHZ-LBPRGKRZSA-N 2 2 239.319 -0.218 20 0 BBADLP c1cn(CC[NH+]2CCN(c3nc[nH]n3)CC2)c[nH+]1 ZINC000639733454 356626163 /nfs/dbraw/zinc/62/61/63/356626163.db2.gz PDCXQSKVUJLPGG-UHFFFAOYSA-N 2 2 247.306 -0.177 20 0 BBADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761751 356679388 /nfs/dbraw/zinc/67/93/88/356679388.db2.gz DRRVTJXZSUXZFJ-GXSJLCMTSA-N 2 2 229.324 -0.751 20 0 BBADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761751 356679385 /nfs/dbraw/zinc/67/93/85/356679385.db2.gz DRRVTJXZSUXZFJ-GXSJLCMTSA-N 2 2 229.324 -0.751 20 0 BBADLP C[C@H](C(N)=O)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761759 356679303 /nfs/dbraw/zinc/67/93/03/356679303.db2.gz DRRVTJXZSUXZFJ-KOLCDFICSA-N 2 2 229.324 -0.751 20 0 BBADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761759 356679300 /nfs/dbraw/zinc/67/93/00/356679300.db2.gz DRRVTJXZSUXZFJ-KOLCDFICSA-N 2 2 229.324 -0.751 20 0 BBADLP C[C@H](C(N)=O)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761762 356679181 /nfs/dbraw/zinc/67/91/81/356679181.db2.gz DRRVTJXZSUXZFJ-MWLCHTKSSA-N 2 2 229.324 -0.751 20 0 BBADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761762 356679179 /nfs/dbraw/zinc/67/91/79/356679179.db2.gz DRRVTJXZSUXZFJ-MWLCHTKSSA-N 2 2 229.324 -0.751 20 0 BBADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761763 356679293 /nfs/dbraw/zinc/67/92/93/356679293.db2.gz DRRVTJXZSUXZFJ-ONGXEEELSA-N 2 2 229.324 -0.751 20 0 BBADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761763 356679291 /nfs/dbraw/zinc/67/92/91/356679291.db2.gz DRRVTJXZSUXZFJ-ONGXEEELSA-N 2 2 229.324 -0.751 20 0 BBADLP C[NH+](C)C[C@]1(O)CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC000639762396 356685150 /nfs/dbraw/zinc/68/51/50/356685150.db2.gz SIPDBCOBOFWFFP-CMPLNLGQSA-N 2 2 241.335 -0.737 20 0 BBADLP C[NH+](C)C[C@]1(O)CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000639762396 356685149 /nfs/dbraw/zinc/68/51/49/356685149.db2.gz SIPDBCOBOFWFFP-CMPLNLGQSA-N 2 2 241.335 -0.737 20 0 BBADLP C[NH+](C)C[C@@]1(O)CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC000639762398 356684544 /nfs/dbraw/zinc/68/45/44/356684544.db2.gz SIPDBCOBOFWFFP-JQWIXIFHSA-N 2 2 241.335 -0.737 20 0 BBADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000639762398 356684541 /nfs/dbraw/zinc/68/45/41/356684541.db2.gz SIPDBCOBOFWFFP-JQWIXIFHSA-N 2 2 241.335 -0.737 20 0 BBADLP C[NH+](C)C[C@@]1(O)CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000639762399 356684743 /nfs/dbraw/zinc/68/47/43/356684743.db2.gz SIPDBCOBOFWFFP-PWSUYJOCSA-N 2 2 241.335 -0.737 20 0 BBADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000639762399 356684739 /nfs/dbraw/zinc/68/47/39/356684739.db2.gz SIPDBCOBOFWFFP-PWSUYJOCSA-N 2 2 241.335 -0.737 20 0 BBADLP C[NH+](C)C[C@]1(O)CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000639762400 356684774 /nfs/dbraw/zinc/68/47/74/356684774.db2.gz SIPDBCOBOFWFFP-ZYHUDNBSSA-N 2 2 241.335 -0.737 20 0 BBADLP C[NH+](C)C[C@]1(O)CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000639762400 356684770 /nfs/dbraw/zinc/68/47/70/356684770.db2.gz SIPDBCOBOFWFFP-ZYHUDNBSSA-N 2 2 241.335 -0.737 20 0 BBADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCOCCO)C1 ZINC000639762853 356686881 /nfs/dbraw/zinc/68/68/81/356686881.db2.gz OGAHYLYLXIPZDV-GFCCVEGCSA-N 2 2 246.351 -0.616 20 0 BBADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCOCCO)C1 ZINC000639762853 356686878 /nfs/dbraw/zinc/68/68/78/356686878.db2.gz OGAHYLYLXIPZDV-GFCCVEGCSA-N 2 2 246.351 -0.616 20 0 BBADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCOCCO)C1 ZINC000639762863 356687189 /nfs/dbraw/zinc/68/71/89/356687189.db2.gz OGAHYLYLXIPZDV-LBPRGKRZSA-N 2 2 246.351 -0.616 20 0 BBADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCOCCO)C1 ZINC000639762863 356687186 /nfs/dbraw/zinc/68/71/86/356687186.db2.gz OGAHYLYLXIPZDV-LBPRGKRZSA-N 2 2 246.351 -0.616 20 0 BBADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCO)C1 ZINC000639763218 356689026 /nfs/dbraw/zinc/68/90/26/356689026.db2.gz PXMLVGSJOPFILD-JTQLQIEISA-N 2 2 202.298 -0.633 20 0 BBADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCO)C1 ZINC000639763218 356689023 /nfs/dbraw/zinc/68/90/23/356689023.db2.gz PXMLVGSJOPFILD-JTQLQIEISA-N 2 2 202.298 -0.633 20 0 BBADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCO)C1 ZINC000639763241 356689219 /nfs/dbraw/zinc/68/92/19/356689219.db2.gz PXMLVGSJOPFILD-SNVBAGLBSA-N 2 2 202.298 -0.633 20 0 BBADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCO)C1 ZINC000639763241 356689216 /nfs/dbraw/zinc/68/92/16/356689216.db2.gz PXMLVGSJOPFILD-SNVBAGLBSA-N 2 2 202.298 -0.633 20 0 BBADLP CC[C@@H](C(N)=O)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764437 356690097 /nfs/dbraw/zinc/69/00/97/356690097.db2.gz VPUTWIBJOOFYSU-CMPLNLGQSA-N 2 2 243.351 -0.361 20 0 BBADLP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764437 356690094 /nfs/dbraw/zinc/69/00/94/356690094.db2.gz VPUTWIBJOOFYSU-CMPLNLGQSA-N 2 2 243.351 -0.361 20 0 BBADLP CC[C@@H](C(N)=O)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764439 356689807 /nfs/dbraw/zinc/68/98/07/356689807.db2.gz VPUTWIBJOOFYSU-JQWIXIFHSA-N 2 2 243.351 -0.361 20 0 BBADLP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764439 356689804 /nfs/dbraw/zinc/68/98/04/356689804.db2.gz VPUTWIBJOOFYSU-JQWIXIFHSA-N 2 2 243.351 -0.361 20 0 BBADLP CC[C@H](C(N)=O)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764441 356689720 /nfs/dbraw/zinc/68/97/20/356689720.db2.gz VPUTWIBJOOFYSU-PWSUYJOCSA-N 2 2 243.351 -0.361 20 0 BBADLP CC[C@H](C(N)=O)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764441 356689718 /nfs/dbraw/zinc/68/97/18/356689718.db2.gz VPUTWIBJOOFYSU-PWSUYJOCSA-N 2 2 243.351 -0.361 20 0 BBADLP CC[C@H](C(N)=O)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764444 356689767 /nfs/dbraw/zinc/68/97/67/356689767.db2.gz VPUTWIBJOOFYSU-ZYHUDNBSSA-N 2 2 243.351 -0.361 20 0 BBADLP CC[C@H](C(N)=O)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764444 356689765 /nfs/dbraw/zinc/68/97/65/356689765.db2.gz VPUTWIBJOOFYSU-ZYHUDNBSSA-N 2 2 243.351 -0.361 20 0 BBADLP CN(C)C(=O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764895 356692398 /nfs/dbraw/zinc/69/23/98/356692398.db2.gz XYDNVRCHPUFYFB-GFCCVEGCSA-N 2 2 243.351 -0.537 20 0 BBADLP CN(C)C(=O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764895 356692392 /nfs/dbraw/zinc/69/23/92/356692392.db2.gz XYDNVRCHPUFYFB-GFCCVEGCSA-N 2 2 243.351 -0.537 20 0 BBADLP CN(C)C(=O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764896 356692146 /nfs/dbraw/zinc/69/21/46/356692146.db2.gz XYDNVRCHPUFYFB-LBPRGKRZSA-N 2 2 243.351 -0.537 20 0 BBADLP CN(C)C(=O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764896 356692141 /nfs/dbraw/zinc/69/21/41/356692141.db2.gz XYDNVRCHPUFYFB-LBPRGKRZSA-N 2 2 243.351 -0.537 20 0 BBADLP Cn1c[nH+]cc1CC[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000639780957 356730072 /nfs/dbraw/zinc/73/00/72/356730072.db2.gz VYYQDMLPWSJZDI-VXGBXAGGSA-N 2 2 239.319 -0.220 20 0 BBADLP Nc1cc(C[NH+]2[C@@H](CO)CC[C@@H]2CO)cc[nH+]1 ZINC000639783337 411942638 /nfs/dbraw/zinc/94/26/38/411942638.db2.gz PNUBQMJXLUQNPL-GHMZBOCLSA-N 2 2 237.303 -0.019 20 0 BBADLP C[NH+](C)[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000639801654 356764216 /nfs/dbraw/zinc/76/42/16/356764216.db2.gz MLNCKMKIDYJKBB-LBPRGKRZSA-N 2 2 227.352 -0.046 20 0 BBADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639847934 356845464 /nfs/dbraw/zinc/84/54/64/356845464.db2.gz IHWZHIWXKIBMTQ-NEPJUHHUSA-N 2 2 239.319 -0.220 20 0 BBADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639847934 356845461 /nfs/dbraw/zinc/84/54/61/356845461.db2.gz IHWZHIWXKIBMTQ-NEPJUHHUSA-N 2 2 239.319 -0.220 20 0 BBADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639847935 356845250 /nfs/dbraw/zinc/84/52/50/356845250.db2.gz IHWZHIWXKIBMTQ-NWDGAFQWSA-N 2 2 239.319 -0.220 20 0 BBADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639847935 356845247 /nfs/dbraw/zinc/84/52/47/356845247.db2.gz IHWZHIWXKIBMTQ-NWDGAFQWSA-N 2 2 239.319 -0.220 20 0 BBADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639847936 356844989 /nfs/dbraw/zinc/84/49/89/356844989.db2.gz IHWZHIWXKIBMTQ-RYUDHWBXSA-N 2 2 239.319 -0.220 20 0 BBADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639847936 356844986 /nfs/dbraw/zinc/84/49/86/356844986.db2.gz IHWZHIWXKIBMTQ-RYUDHWBXSA-N 2 2 239.319 -0.220 20 0 BBADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639847937 356845384 /nfs/dbraw/zinc/84/53/84/356845384.db2.gz IHWZHIWXKIBMTQ-VXGBXAGGSA-N 2 2 239.319 -0.220 20 0 BBADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639847937 356845382 /nfs/dbraw/zinc/84/53/82/356845382.db2.gz IHWZHIWXKIBMTQ-VXGBXAGGSA-N 2 2 239.319 -0.220 20 0 BBADLP C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1cc[nH+]c(N)c1 ZINC000639848833 411933717 /nfs/dbraw/zinc/93/37/17/411933717.db2.gz JJFOZPBDIKTDNI-CMPLNLGQSA-N 2 2 237.303 -0.019 20 0 BBADLP C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1cc[nH+]c(N)c1 ZINC000639848833 411933715 /nfs/dbraw/zinc/93/37/15/411933715.db2.gz JJFOZPBDIKTDNI-CMPLNLGQSA-N 2 2 237.303 -0.019 20 0 BBADLP C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1cc[nH+]c(N)c1 ZINC000639848834 411906503 /nfs/dbraw/zinc/90/65/03/411906503.db2.gz JJFOZPBDIKTDNI-JQWIXIFHSA-N 2 2 237.303 -0.019 20 0 BBADLP C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1cc[nH+]c(N)c1 ZINC000639848834 411906500 /nfs/dbraw/zinc/90/65/00/411906500.db2.gz JJFOZPBDIKTDNI-JQWIXIFHSA-N 2 2 237.303 -0.019 20 0 BBADLP C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1cc[nH+]c(N)c1 ZINC000639848835 411907882 /nfs/dbraw/zinc/90/78/82/411907882.db2.gz JJFOZPBDIKTDNI-PWSUYJOCSA-N 2 2 237.303 -0.019 20 0 BBADLP C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cc[nH+]c(N)c1 ZINC000639848835 411907877 /nfs/dbraw/zinc/90/78/77/411907877.db2.gz JJFOZPBDIKTDNI-PWSUYJOCSA-N 2 2 237.303 -0.019 20 0 BBADLP C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1cc[nH+]c(N)c1 ZINC000639848836 411934184 /nfs/dbraw/zinc/93/41/84/411934184.db2.gz JJFOZPBDIKTDNI-ZYHUDNBSSA-N 2 2 237.303 -0.019 20 0 BBADLP C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cc[nH+]c(N)c1 ZINC000639848836 411934179 /nfs/dbraw/zinc/93/41/79/411934179.db2.gz JJFOZPBDIKTDNI-ZYHUDNBSSA-N 2 2 237.303 -0.019 20 0 BBADLP C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1c[nH+]c[nH]1 ZINC000639849291 356849110 /nfs/dbraw/zinc/84/91/10/356849110.db2.gz UOEFETXKERPBDV-NXEZZACHSA-N 2 2 211.265 -0.273 20 0 BBADLP C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1c[nH+]c[nH]1 ZINC000639849291 356849108 /nfs/dbraw/zinc/84/91/08/356849108.db2.gz UOEFETXKERPBDV-NXEZZACHSA-N 2 2 211.265 -0.273 20 0 BBADLP C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1c[nH+]c[nH]1 ZINC000639849292 356849151 /nfs/dbraw/zinc/84/91/51/356849151.db2.gz UOEFETXKERPBDV-UWVGGRQHSA-N 2 2 211.265 -0.273 20 0 BBADLP C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1c[nH+]c[nH]1 ZINC000639849292 356849147 /nfs/dbraw/zinc/84/91/47/356849147.db2.gz UOEFETXKERPBDV-UWVGGRQHSA-N 2 2 211.265 -0.273 20 0 BBADLP C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1c[nH+]c[nH]1 ZINC000639849293 356849321 /nfs/dbraw/zinc/84/93/21/356849321.db2.gz UOEFETXKERPBDV-VHSXEESVSA-N 2 2 211.265 -0.273 20 0 BBADLP C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1c[nH+]c[nH]1 ZINC000639849293 356849317 /nfs/dbraw/zinc/84/93/17/356849317.db2.gz UOEFETXKERPBDV-VHSXEESVSA-N 2 2 211.265 -0.273 20 0 BBADLP C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1c[nH+]c[nH]1 ZINC000639849294 356849824 /nfs/dbraw/zinc/84/98/24/356849824.db2.gz UOEFETXKERPBDV-ZJUUUORDSA-N 2 2 211.265 -0.273 20 0 BBADLP C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1c[nH+]c[nH]1 ZINC000639849294 356849822 /nfs/dbraw/zinc/84/98/22/356849822.db2.gz UOEFETXKERPBDV-ZJUUUORDSA-N 2 2 211.265 -0.273 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639850947 356854900 /nfs/dbraw/zinc/85/49/00/356854900.db2.gz YAPBFIIAOFGFGT-GRYCIOLGSA-N 2 2 246.351 -0.883 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639850947 356854895 /nfs/dbraw/zinc/85/48/95/356854895.db2.gz YAPBFIIAOFGFGT-GRYCIOLGSA-N 2 2 246.351 -0.883 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@]1(C)CO ZINC000639850947 356854892 /nfs/dbraw/zinc/85/48/92/356854892.db2.gz YAPBFIIAOFGFGT-GRYCIOLGSA-N 2 2 246.351 -0.883 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@]1(C)CO ZINC000639850947 356854889 /nfs/dbraw/zinc/85/48/89/356854889.db2.gz YAPBFIIAOFGFGT-GRYCIOLGSA-N 2 2 246.351 -0.883 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639850948 356855258 /nfs/dbraw/zinc/85/52/58/356855258.db2.gz YAPBFIIAOFGFGT-SDDRHHMPSA-N 2 2 246.351 -0.883 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639850948 356855254 /nfs/dbraw/zinc/85/52/54/356855254.db2.gz YAPBFIIAOFGFGT-SDDRHHMPSA-N 2 2 246.351 -0.883 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@]1(C)CO ZINC000639850948 356855252 /nfs/dbraw/zinc/85/52/52/356855252.db2.gz YAPBFIIAOFGFGT-SDDRHHMPSA-N 2 2 246.351 -0.883 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@]1(C)CO ZINC000639850948 356855248 /nfs/dbraw/zinc/85/52/48/356855248.db2.gz YAPBFIIAOFGFGT-SDDRHHMPSA-N 2 2 246.351 -0.883 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639850949 356855088 /nfs/dbraw/zinc/85/50/88/356855088.db2.gz YAPBFIIAOFGFGT-SRVKXCTJSA-N 2 2 246.351 -0.883 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639850949 356855084 /nfs/dbraw/zinc/85/50/84/356855084.db2.gz YAPBFIIAOFGFGT-SRVKXCTJSA-N 2 2 246.351 -0.883 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639850949 356855081 /nfs/dbraw/zinc/85/50/81/356855081.db2.gz YAPBFIIAOFGFGT-SRVKXCTJSA-N 2 2 246.351 -0.883 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639850949 356855077 /nfs/dbraw/zinc/85/50/77/356855077.db2.gz YAPBFIIAOFGFGT-SRVKXCTJSA-N 2 2 246.351 -0.883 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639850950 356855023 /nfs/dbraw/zinc/85/50/23/356855023.db2.gz YAPBFIIAOFGFGT-WOPDTQHZSA-N 2 2 246.351 -0.883 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639850950 356855019 /nfs/dbraw/zinc/85/50/19/356855019.db2.gz YAPBFIIAOFGFGT-WOPDTQHZSA-N 2 2 246.351 -0.883 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@@]1(C)CO ZINC000639850950 356855016 /nfs/dbraw/zinc/85/50/16/356855016.db2.gz YAPBFIIAOFGFGT-WOPDTQHZSA-N 2 2 246.351 -0.883 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@@]1(C)CO ZINC000639850950 356855013 /nfs/dbraw/zinc/85/50/13/356855013.db2.gz YAPBFIIAOFGFGT-WOPDTQHZSA-N 2 2 246.351 -0.883 20 0 BBADLP C[C@]1(CO)C[C@@H](O)C[N@@H+]1CCn1cc[nH+]c1 ZINC000639851215 356856066 /nfs/dbraw/zinc/85/60/66/356856066.db2.gz ZZWCLVFCWJNAOU-GHMZBOCLSA-N 2 2 225.292 -0.299 20 0 BBADLP C[C@@]1(CO)C[C@@H](O)C[N@@H+]1CCn1cc[nH+]c1 ZINC000639851216 356856087 /nfs/dbraw/zinc/85/60/87/356856087.db2.gz ZZWCLVFCWJNAOU-MNOVXSKESA-N 2 2 225.292 -0.299 20 0 BBADLP C[C@@]1(CO)C[C@H](O)C[N@@H+]1CCn1cc[nH+]c1 ZINC000639851217 356855849 /nfs/dbraw/zinc/85/58/49/356855849.db2.gz ZZWCLVFCWJNAOU-QWRGUYRKSA-N 2 2 225.292 -0.299 20 0 BBADLP C[C@]1(CO)C[C@H](O)C[N@H+]1CCn1cc[nH+]c1 ZINC000639851218 356855889 /nfs/dbraw/zinc/85/58/89/356855889.db2.gz ZZWCLVFCWJNAOU-WDEREUQCSA-N 2 2 225.292 -0.299 20 0 BBADLP C[C@]1(CO)C[C@H](O)C[N@@H+]1CCn1cc[nH+]c1 ZINC000639851218 356855886 /nfs/dbraw/zinc/85/58/86/356855886.db2.gz ZZWCLVFCWJNAOU-WDEREUQCSA-N 2 2 225.292 -0.299 20 0 BBADLP Cn1c[nH+]cc1C[N@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639852574 356855816 /nfs/dbraw/zinc/85/58/16/356855816.db2.gz UPHYUALFOZKIQQ-GHMZBOCLSA-N 2 2 225.292 -0.262 20 0 BBADLP Cn1c[nH+]cc1C[N@@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639852574 356855813 /nfs/dbraw/zinc/85/58/13/356855813.db2.gz UPHYUALFOZKIQQ-GHMZBOCLSA-N 2 2 225.292 -0.262 20 0 BBADLP Cn1c[nH+]cc1C[N@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639852576 356856165 /nfs/dbraw/zinc/85/61/65/356856165.db2.gz UPHYUALFOZKIQQ-MNOVXSKESA-N 2 2 225.292 -0.262 20 0 BBADLP Cn1c[nH+]cc1C[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639852576 356856160 /nfs/dbraw/zinc/85/61/60/356856160.db2.gz UPHYUALFOZKIQQ-MNOVXSKESA-N 2 2 225.292 -0.262 20 0 BBADLP Cn1c[nH+]cc1C[N@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639852579 356855928 /nfs/dbraw/zinc/85/59/28/356855928.db2.gz UPHYUALFOZKIQQ-QWRGUYRKSA-N 2 2 225.292 -0.262 20 0 BBADLP Cn1c[nH+]cc1C[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639852579 356855925 /nfs/dbraw/zinc/85/59/25/356855925.db2.gz UPHYUALFOZKIQQ-QWRGUYRKSA-N 2 2 225.292 -0.262 20 0 BBADLP Cn1c[nH+]cc1C[N@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639852581 356856046 /nfs/dbraw/zinc/85/60/46/356856046.db2.gz UPHYUALFOZKIQQ-WDEREUQCSA-N 2 2 225.292 -0.262 20 0 BBADLP Cn1c[nH+]cc1C[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639852581 356856043 /nfs/dbraw/zinc/85/60/43/356856043.db2.gz UPHYUALFOZKIQQ-WDEREUQCSA-N 2 2 225.292 -0.262 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@](C)(CO)COC ZINC000639956006 357977883 /nfs/dbraw/zinc/97/78/83/357977883.db2.gz ANLVXSZKUOVNAK-GHMZBOCLSA-N 2 2 234.340 -0.714 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@](C)(CO)COC ZINC000639956006 357977878 /nfs/dbraw/zinc/97/78/78/357977878.db2.gz ANLVXSZKUOVNAK-GHMZBOCLSA-N 2 2 234.340 -0.714 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@](C)(CO)COC ZINC000639956007 357978537 /nfs/dbraw/zinc/97/85/37/357978537.db2.gz ANLVXSZKUOVNAK-MNOVXSKESA-N 2 2 234.340 -0.714 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@](C)(CO)COC ZINC000639956007 357978535 /nfs/dbraw/zinc/97/85/35/357978535.db2.gz ANLVXSZKUOVNAK-MNOVXSKESA-N 2 2 234.340 -0.714 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@](C)(CO)COC ZINC000639956008 357978346 /nfs/dbraw/zinc/97/83/46/357978346.db2.gz ANLVXSZKUOVNAK-QWRGUYRKSA-N 2 2 234.340 -0.714 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@](C)(CO)COC ZINC000639956008 357978344 /nfs/dbraw/zinc/97/83/44/357978344.db2.gz ANLVXSZKUOVNAK-QWRGUYRKSA-N 2 2 234.340 -0.714 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@](C)(CO)COC ZINC000639956009 357978363 /nfs/dbraw/zinc/97/83/63/357978363.db2.gz ANLVXSZKUOVNAK-WDEREUQCSA-N 2 2 234.340 -0.714 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@](C)(CO)COC ZINC000639956009 357978360 /nfs/dbraw/zinc/97/83/60/357978360.db2.gz ANLVXSZKUOVNAK-WDEREUQCSA-N 2 2 234.340 -0.714 20 0 BBADLP COC[C@](C)(CO)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000639956312 357979199 /nfs/dbraw/zinc/97/91/99/357979199.db2.gz FOBQHVSLJFLTEB-NEPJUHHUSA-N 2 2 248.367 -0.326 20 0 BBADLP COC[C@](C)(CO)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000639956312 357979197 /nfs/dbraw/zinc/97/91/97/357979197.db2.gz FOBQHVSLJFLTEB-NEPJUHHUSA-N 2 2 248.367 -0.326 20 0 BBADLP COC[C@@](C)(CO)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000639956313 357978890 /nfs/dbraw/zinc/97/88/90/357978890.db2.gz FOBQHVSLJFLTEB-NWDGAFQWSA-N 2 2 248.367 -0.326 20 0 BBADLP COC[C@@](C)(CO)[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000639956313 357978888 /nfs/dbraw/zinc/97/88/88/357978888.db2.gz FOBQHVSLJFLTEB-NWDGAFQWSA-N 2 2 248.367 -0.326 20 0 BBADLP COC[C@](C)(CO)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000639956314 357978838 /nfs/dbraw/zinc/97/88/38/357978838.db2.gz FOBQHVSLJFLTEB-RYUDHWBXSA-N 2 2 248.367 -0.326 20 0 BBADLP COC[C@](C)(CO)[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000639956314 357978835 /nfs/dbraw/zinc/97/88/35/357978835.db2.gz FOBQHVSLJFLTEB-RYUDHWBXSA-N 2 2 248.367 -0.326 20 0 BBADLP COC[C@@](C)(CO)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000639956315 357978785 /nfs/dbraw/zinc/97/87/85/357978785.db2.gz FOBQHVSLJFLTEB-VXGBXAGGSA-N 2 2 248.367 -0.326 20 0 BBADLP COC[C@@](C)(CO)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000639956315 357978783 /nfs/dbraw/zinc/97/87/83/357978783.db2.gz FOBQHVSLJFLTEB-VXGBXAGGSA-N 2 2 248.367 -0.326 20 0 BBADLP COC[C@](C)(CO)[NH2+]CCn1cc[nH+]c1 ZINC000639956426 357978750 /nfs/dbraw/zinc/97/87/50/357978750.db2.gz FQQBJIQKKGFVJU-JTQLQIEISA-N 2 2 213.281 -0.130 20 0 BBADLP COC[C@@](C)(CO)[NH2+]CCn1cc[nH+]c1 ZINC000639956427 357979259 /nfs/dbraw/zinc/97/92/59/357979259.db2.gz FQQBJIQKKGFVJU-SNVBAGLBSA-N 2 2 213.281 -0.130 20 0 BBADLP COC[C@](C)(CO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000639957147 357981267 /nfs/dbraw/zinc/98/12/67/357981267.db2.gz JZUDZBGKRXJQMI-NEPJUHHUSA-N 2 2 246.351 -0.572 20 0 BBADLP COC[C@](C)(CO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000639957147 357981266 /nfs/dbraw/zinc/98/12/66/357981266.db2.gz JZUDZBGKRXJQMI-NEPJUHHUSA-N 2 2 246.351 -0.572 20 0 BBADLP COC[C@@](C)(CO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000639957148 357980628 /nfs/dbraw/zinc/98/06/28/357980628.db2.gz JZUDZBGKRXJQMI-NWDGAFQWSA-N 2 2 246.351 -0.572 20 0 BBADLP COC[C@@](C)(CO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000639957148 357980623 /nfs/dbraw/zinc/98/06/23/357980623.db2.gz JZUDZBGKRXJQMI-NWDGAFQWSA-N 2 2 246.351 -0.572 20 0 BBADLP COC[C@](C)(CO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000639957149 357981152 /nfs/dbraw/zinc/98/11/52/357981152.db2.gz JZUDZBGKRXJQMI-RYUDHWBXSA-N 2 2 246.351 -0.572 20 0 BBADLP COC[C@](C)(CO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000639957149 357981150 /nfs/dbraw/zinc/98/11/50/357981150.db2.gz JZUDZBGKRXJQMI-RYUDHWBXSA-N 2 2 246.351 -0.572 20 0 BBADLP COC[C@@](C)(CO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000639957150 357981277 /nfs/dbraw/zinc/98/12/77/357981277.db2.gz JZUDZBGKRXJQMI-VXGBXAGGSA-N 2 2 246.351 -0.572 20 0 BBADLP COC[C@@](C)(CO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000639957150 357981276 /nfs/dbraw/zinc/98/12/76/357981276.db2.gz JZUDZBGKRXJQMI-VXGBXAGGSA-N 2 2 246.351 -0.572 20 0 BBADLP CC[C@H](O)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051018 358145675 /nfs/dbraw/zinc/14/56/75/358145675.db2.gz CLXQIRVTFCXCIF-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP CC[C@H](O)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051018 358145672 /nfs/dbraw/zinc/14/56/72/358145672.db2.gz CLXQIRVTFCXCIF-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP CC[C@@H](O)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640057785 358147419 /nfs/dbraw/zinc/14/74/19/358147419.db2.gz CLXQIRVTFCXCIF-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP CC[C@@H](O)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640057785 358147417 /nfs/dbraw/zinc/14/74/17/358147417.db2.gz CLXQIRVTFCXCIF-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP C[NH+](C[C@H](O)C[N@H+]1C[C@H]2C[C@@]2(O)C1)C1CC1 ZINC000640485270 361277418 /nfs/dbraw/zinc/27/74/18/361277418.db2.gz HHORCAKPQZOZAY-ADEWGFFLSA-N 2 2 226.320 -0.492 20 0 BBADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@H]2C[C@@]2(O)C1)C1CC1 ZINC000640485270 361277417 /nfs/dbraw/zinc/27/74/17/361277417.db2.gz HHORCAKPQZOZAY-ADEWGFFLSA-N 2 2 226.320 -0.492 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@H]2C[C@@]2(O)C1)C1CC1 ZINC000640485270 361277416 /nfs/dbraw/zinc/27/74/16/361277416.db2.gz HHORCAKPQZOZAY-ADEWGFFLSA-N 2 2 226.320 -0.492 20 0 BBADLP C[N@H+](C[C@H](O)C[NH+]1C[C@H]2C[C@@]2(O)C1)C1CC1 ZINC000640485270 361277414 /nfs/dbraw/zinc/27/74/14/361277414.db2.gz HHORCAKPQZOZAY-ADEWGFFLSA-N 2 2 226.320 -0.492 20 0 BBADLP C[NH+](C[C@H](O)C[N@H+]1C[C@@H]2C[C@]2(O)C1)C1CC1 ZINC000640485276 361277971 /nfs/dbraw/zinc/27/79/71/361277971.db2.gz HHORCAKPQZOZAY-DLOVCJGASA-N 2 2 226.320 -0.492 20 0 BBADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H]2C[C@]2(O)C1)C1CC1 ZINC000640485276 361277967 /nfs/dbraw/zinc/27/79/67/361277967.db2.gz HHORCAKPQZOZAY-DLOVCJGASA-N 2 2 226.320 -0.492 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H]2C[C@]2(O)C1)C1CC1 ZINC000640485276 361277962 /nfs/dbraw/zinc/27/79/62/361277962.db2.gz HHORCAKPQZOZAY-DLOVCJGASA-N 2 2 226.320 -0.492 20 0 BBADLP C[N@H+](C[C@H](O)C[NH+]1C[C@@H]2C[C@]2(O)C1)C1CC1 ZINC000640485276 361277958 /nfs/dbraw/zinc/27/79/58/361277958.db2.gz HHORCAKPQZOZAY-DLOVCJGASA-N 2 2 226.320 -0.492 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640486302 361271171 /nfs/dbraw/zinc/27/11/71/361271171.db2.gz LOEQSYRYEHUDNI-GRYCIOLGSA-N 2 2 228.336 -0.246 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640486302 361271169 /nfs/dbraw/zinc/27/11/69/361271169.db2.gz LOEQSYRYEHUDNI-GRYCIOLGSA-N 2 2 228.336 -0.246 20 0 BBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2C[C@@]2(O)C1 ZINC000640486302 361271165 /nfs/dbraw/zinc/27/11/65/361271165.db2.gz LOEQSYRYEHUDNI-GRYCIOLGSA-N 2 2 228.336 -0.246 20 0 BBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2C[C@@]2(O)C1 ZINC000640486302 361271163 /nfs/dbraw/zinc/27/11/63/361271163.db2.gz LOEQSYRYEHUDNI-GRYCIOLGSA-N 2 2 228.336 -0.246 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640486306 361271071 /nfs/dbraw/zinc/27/10/71/361271071.db2.gz LOEQSYRYEHUDNI-SRVKXCTJSA-N 2 2 228.336 -0.246 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640486306 361271068 /nfs/dbraw/zinc/27/10/68/361271068.db2.gz LOEQSYRYEHUDNI-SRVKXCTJSA-N 2 2 228.336 -0.246 20 0 BBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C[C@]2(O)C1 ZINC000640486306 361271066 /nfs/dbraw/zinc/27/10/66/361271066.db2.gz LOEQSYRYEHUDNI-SRVKXCTJSA-N 2 2 228.336 -0.246 20 0 BBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C[C@]2(O)C1 ZINC000640486306 361271062 /nfs/dbraw/zinc/27/10/62/361271062.db2.gz LOEQSYRYEHUDNI-SRVKXCTJSA-N 2 2 228.336 -0.246 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640486433 361271198 /nfs/dbraw/zinc/27/11/98/361271198.db2.gz MDKSJUMAZMOPFN-DCAQKATOSA-N 2 2 214.309 -0.634 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640486433 361271195 /nfs/dbraw/zinc/27/11/95/361271195.db2.gz MDKSJUMAZMOPFN-DCAQKATOSA-N 2 2 214.309 -0.634 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C[C@]2(O)C1 ZINC000640486433 361271193 /nfs/dbraw/zinc/27/11/93/361271193.db2.gz MDKSJUMAZMOPFN-DCAQKATOSA-N 2 2 214.309 -0.634 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C[C@]2(O)C1 ZINC000640486433 361271189 /nfs/dbraw/zinc/27/11/89/361271189.db2.gz MDKSJUMAZMOPFN-DCAQKATOSA-N 2 2 214.309 -0.634 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640486439 361271121 /nfs/dbraw/zinc/27/11/21/361271121.db2.gz MDKSJUMAZMOPFN-OUAUKWLOSA-N 2 2 214.309 -0.634 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640486439 361271119 /nfs/dbraw/zinc/27/11/19/361271119.db2.gz MDKSJUMAZMOPFN-OUAUKWLOSA-N 2 2 214.309 -0.634 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2C[C@@]2(O)C1 ZINC000640486439 361271116 /nfs/dbraw/zinc/27/11/16/361271116.db2.gz MDKSJUMAZMOPFN-OUAUKWLOSA-N 2 2 214.309 -0.634 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2C[C@@]2(O)C1 ZINC000640486439 361271115 /nfs/dbraw/zinc/27/11/15/361271115.db2.gz MDKSJUMAZMOPFN-OUAUKWLOSA-N 2 2 214.309 -0.634 20 0 BBADLP C[NH+](C)CCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641250094 362325254 /nfs/dbraw/zinc/32/52/54/362325254.db2.gz CVLRQEVHGJVTPM-UHFFFAOYSA-N 2 2 246.336 -0.636 20 0 BBADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1ccncc1N ZINC000641720589 362636788 /nfs/dbraw/zinc/63/67/88/362636788.db2.gz YEHOFNWEVOCOAM-GFCCVEGCSA-N 2 2 249.362 -0.001 20 0 BBADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1ccncc1N ZINC000641720589 362636782 /nfs/dbraw/zinc/63/67/82/362636782.db2.gz YEHOFNWEVOCOAM-GFCCVEGCSA-N 2 2 249.362 -0.001 20 0 BBADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1ccncc1N ZINC000641720600 362636446 /nfs/dbraw/zinc/63/64/46/362636446.db2.gz YEHOFNWEVOCOAM-LBPRGKRZSA-N 2 2 249.362 -0.001 20 0 BBADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1ccncc1N ZINC000641720600 362636443 /nfs/dbraw/zinc/63/64/43/362636443.db2.gz YEHOFNWEVOCOAM-LBPRGKRZSA-N 2 2 249.362 -0.001 20 0 BBADLP Nc1ncc(C[NH2+]CCC[NH+]2CCC2)c(N)n1 ZINC000641742481 362668651 /nfs/dbraw/zinc/66/86/51/362668651.db2.gz GYFDDZAKHUDSOE-UHFFFAOYSA-N 2 2 236.323 -0.513 20 0 BBADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccncc2N)C1 ZINC000641748038 362675654 /nfs/dbraw/zinc/67/56/54/362675654.db2.gz SQBJNWCRYJYQBO-GFCCVEGCSA-N 2 2 236.319 -0.180 20 0 BBADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccncc2N)C1 ZINC000641748038 362675651 /nfs/dbraw/zinc/67/56/51/362675651.db2.gz SQBJNWCRYJYQBO-GFCCVEGCSA-N 2 2 236.319 -0.180 20 0 BBADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccncc2N)C1 ZINC000641748039 362676049 /nfs/dbraw/zinc/67/60/49/362676049.db2.gz SQBJNWCRYJYQBO-LBPRGKRZSA-N 2 2 236.319 -0.180 20 0 BBADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccncc2N)C1 ZINC000641748039 362676045 /nfs/dbraw/zinc/67/60/45/362676045.db2.gz SQBJNWCRYJYQBO-LBPRGKRZSA-N 2 2 236.319 -0.180 20 0 BBADLP C[C@H](C[NH2+]Cc1cnc(N)nc1N)C[NH+](C)C ZINC000641756467 362682224 /nfs/dbraw/zinc/68/22/24/362682224.db2.gz KFYMTPJRVALXQG-MRVPVSSYSA-N 2 2 238.339 -0.411 20 0 BBADLP C[C@@H](C[NH2+]Cc1cnc(N)nc1N)C[NH+](C)C ZINC000641756468 362682817 /nfs/dbraw/zinc/68/28/17/362682817.db2.gz KFYMTPJRVALXQG-QMMMGPOBSA-N 2 2 238.339 -0.411 20 0 BBADLP C[NH+](C)C1CC(NCc2c[nH+]c(N)nc2N)C1 ZINC000641764715 362695689 /nfs/dbraw/zinc/69/56/89/362695689.db2.gz KPBGTPJTPDMBOM-UHFFFAOYSA-N 2 2 236.323 -0.516 20 0 BBADLP NS(=O)(=O)CCC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000641796920 362740458 /nfs/dbraw/zinc/74/04/58/362740458.db2.gz MBBNBOBETWNATG-MRVPVSSYSA-N 2 2 221.326 -0.912 20 0 BBADLP NS(=O)(=O)CCC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000641796920 362740452 /nfs/dbraw/zinc/74/04/52/362740452.db2.gz MBBNBOBETWNATG-MRVPVSSYSA-N 2 2 221.326 -0.912 20 0 BBADLP NS(=O)(=O)CCC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000641796921 362740159 /nfs/dbraw/zinc/74/01/59/362740159.db2.gz MBBNBOBETWNATG-QMMMGPOBSA-N 2 2 221.326 -0.912 20 0 BBADLP NS(=O)(=O)CCC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000641796921 362740157 /nfs/dbraw/zinc/74/01/57/362740157.db2.gz MBBNBOBETWNATG-QMMMGPOBSA-N 2 2 221.326 -0.912 20 0 BBADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCCS(N)(=O)=O ZINC000641800067 362750530 /nfs/dbraw/zinc/75/05/30/362750530.db2.gz VDXYVJBMGXHALL-YUMQZZPRSA-N 2 2 221.326 -0.914 20 0 BBADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCCS(N)(=O)=O ZINC000641800067 362750525 /nfs/dbraw/zinc/75/05/25/362750525.db2.gz VDXYVJBMGXHALL-YUMQZZPRSA-N 2 2 221.326 -0.914 20 0 BBADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000641801048 362753042 /nfs/dbraw/zinc/75/30/42/362753042.db2.gz LXEWSRIAHRMQNO-AEJSXWLSSA-N 3 2 213.325 -0.310 20 0 BBADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000641801049 362753605 /nfs/dbraw/zinc/75/36/05/362753605.db2.gz LXEWSRIAHRMQNO-BBBLOLIVSA-N 3 2 213.325 -0.310 20 0 BBADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000641801050 362753363 /nfs/dbraw/zinc/75/33/63/362753363.db2.gz LXEWSRIAHRMQNO-IVZWLZJFSA-N 3 2 213.325 -0.310 20 0 BBADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000641801051 362753631 /nfs/dbraw/zinc/75/36/31/362753631.db2.gz LXEWSRIAHRMQNO-OPRDCNLKSA-N 3 2 213.325 -0.310 20 0 BBADLP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)c1nnnn1C ZINC000641801673 362756759 /nfs/dbraw/zinc/75/67/59/362756759.db2.gz DQVTYZZIYVMZNK-BIIVOSGPSA-N 2 2 224.312 -0.014 20 0 BBADLP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)c1nnnn1C ZINC000641801674 362756874 /nfs/dbraw/zinc/75/68/74/362756874.db2.gz DQVTYZZIYVMZNK-FXQIFTODSA-N 2 2 224.312 -0.014 20 0 BBADLP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)c1nnnn1C ZINC000641801675 362756154 /nfs/dbraw/zinc/75/61/54/362756154.db2.gz DQVTYZZIYVMZNK-RNJXMRFFSA-N 2 2 224.312 -0.014 20 0 BBADLP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)c1nnnn1C ZINC000641801676 362756636 /nfs/dbraw/zinc/75/66/36/362756636.db2.gz DQVTYZZIYVMZNK-XLPZGREQSA-N 2 2 224.312 -0.014 20 0 BBADLP C[NH2+]C[C@](C)(O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641801799 362756845 /nfs/dbraw/zinc/75/68/45/362756845.db2.gz VTLRNMMOLRSEOU-KKZNHRDASA-N 3 2 215.341 -0.328 20 0 BBADLP C[NH2+]C[C@](C)(O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641801800 362756935 /nfs/dbraw/zinc/75/69/35/362756935.db2.gz VTLRNMMOLRSEOU-NGZCFLSTSA-N 3 2 215.341 -0.328 20 0 BBADLP C[NH2+]C[C@](C)(O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641801801 362757001 /nfs/dbraw/zinc/75/70/01/362757001.db2.gz VTLRNMMOLRSEOU-QXEWZRGKSA-N 3 2 215.341 -0.328 20 0 BBADLP C[NH2+]C[C@](C)(O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641801802 362756459 /nfs/dbraw/zinc/75/64/59/362756459.db2.gz VTLRNMMOLRSEOU-YWVKMMECSA-N 3 2 215.341 -0.328 20 0 BBADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC000641807834 412332476 /nfs/dbraw/zinc/33/24/76/412332476.db2.gz SDSDFAXJNVXBQU-HTQZYQBOSA-N 2 2 238.291 0.329 20 0 BBADLP CC1(C)[C@H]([NH2+]CC(=O)Nc2ccon2)C[C@@H]1[NH3+] ZINC000641807835 412332530 /nfs/dbraw/zinc/33/25/30/412332530.db2.gz SDSDFAXJNVXBQU-JGVFFNPUSA-N 2 2 238.291 0.329 20 0 BBADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccon1 ZINC000641807836 412331912 /nfs/dbraw/zinc/33/19/12/412331912.db2.gz SDSDFAXJNVXBQU-SFYZADRCSA-N 2 2 238.291 0.329 20 0 BBADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccon1 ZINC000641807837 412332422 /nfs/dbraw/zinc/33/24/22/412332422.db2.gz SDSDFAXJNVXBQU-YUMQZZPRSA-N 2 2 238.291 0.329 20 0 BBADLP C[N@@H+](CCCS(N)(=O)=O)CC(C)(C)[NH3+] ZINC000641817994 362769090 /nfs/dbraw/zinc/76/90/90/362769090.db2.gz BFQNQNZZBXVOAI-UHFFFAOYSA-N 2 2 223.342 -0.666 20 0 BBADLP C[N@H+](CCCS(N)(=O)=O)CC(C)(C)[NH3+] ZINC000641817994 362769084 /nfs/dbraw/zinc/76/90/84/362769084.db2.gz BFQNQNZZBXVOAI-UHFFFAOYSA-N 2 2 223.342 -0.666 20 0 BBADLP NS(=O)(=O)CCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000641821582 362772446 /nfs/dbraw/zinc/77/24/46/362772446.db2.gz MDKAQLMQURDCLC-NXEZZACHSA-N 2 2 247.364 -0.522 20 0 BBADLP NS(=O)(=O)CCC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000641821582 362772442 /nfs/dbraw/zinc/77/24/42/362772442.db2.gz MDKAQLMQURDCLC-NXEZZACHSA-N 2 2 247.364 -0.522 20 0 BBADLP NS(=O)(=O)CCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000641821583 362772241 /nfs/dbraw/zinc/77/22/41/362772241.db2.gz MDKAQLMQURDCLC-UWVGGRQHSA-N 2 2 247.364 -0.522 20 0 BBADLP NS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000641821583 362772235 /nfs/dbraw/zinc/77/22/35/362772235.db2.gz MDKAQLMQURDCLC-UWVGGRQHSA-N 2 2 247.364 -0.522 20 0 BBADLP NS(=O)(=O)CCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000641821584 362772320 /nfs/dbraw/zinc/77/23/20/362772320.db2.gz MDKAQLMQURDCLC-VHSXEESVSA-N 2 2 247.364 -0.522 20 0 BBADLP NS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000641821584 362772315 /nfs/dbraw/zinc/77/23/15/362772315.db2.gz MDKAQLMQURDCLC-VHSXEESVSA-N 2 2 247.364 -0.522 20 0 BBADLP NS(=O)(=O)CCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000641821585 362772652 /nfs/dbraw/zinc/77/26/52/362772652.db2.gz MDKAQLMQURDCLC-ZJUUUORDSA-N 2 2 247.364 -0.522 20 0 BBADLP NS(=O)(=O)CCC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000641821585 362772649 /nfs/dbraw/zinc/77/26/49/362772649.db2.gz MDKAQLMQURDCLC-ZJUUUORDSA-N 2 2 247.364 -0.522 20 0 BBADLP Cn1c[nH+]cc1CC[N@@H+](C)CCOCC[NH3+] ZINC000641823035 362772056 /nfs/dbraw/zinc/77/20/56/362772056.db2.gz PSECUTVUTRIHBI-UHFFFAOYSA-N 3 2 226.324 -0.130 20 0 BBADLP Cn1c[nH+]cc1CC[N@H+](C)CCOCC[NH3+] ZINC000641823035 362772053 /nfs/dbraw/zinc/77/20/53/362772053.db2.gz PSECUTVUTRIHBI-UHFFFAOYSA-N 3 2 226.324 -0.130 20 0 BBADLP NS(=O)(=O)CCC[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000641823567 362773287 /nfs/dbraw/zinc/77/32/87/362773287.db2.gz RXPIDPCGPZBARP-JTQLQIEISA-N 2 2 249.380 -0.132 20 0 BBADLP NS(=O)(=O)CCC[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000641823567 362773281 /nfs/dbraw/zinc/77/32/81/362773281.db2.gz RXPIDPCGPZBARP-JTQLQIEISA-N 2 2 249.380 -0.132 20 0 BBADLP NS(=O)(=O)CCC[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000641823568 362773397 /nfs/dbraw/zinc/77/33/97/362773397.db2.gz RXPIDPCGPZBARP-SNVBAGLBSA-N 2 2 249.380 -0.132 20 0 BBADLP NS(=O)(=O)CCC[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000641823568 362773391 /nfs/dbraw/zinc/77/33/91/362773391.db2.gz RXPIDPCGPZBARP-SNVBAGLBSA-N 2 2 249.380 -0.132 20 0 BBADLP C[C@@H]([NH3+])CNc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000643035572 411882692 /nfs/dbraw/zinc/88/26/92/411882692.db2.gz JBYAXXLAYXDMDO-SSDOTTSWSA-N 2 2 233.279 0.004 20 0 BBADLP C[C@H]([NH3+])CNc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000643035573 411920443 /nfs/dbraw/zinc/92/04/43/411920443.db2.gz JBYAXXLAYXDMDO-ZETCQYMHSA-N 2 2 233.279 0.004 20 0 BBADLP C[C@H]([NH3+])CNc1nc[nH+]c(N)c1Cl ZINC000643036009 412215708 /nfs/dbraw/zinc/21/57/08/412215708.db2.gz DMVOUTAIMHJCCQ-BYPYZUCNSA-N 2 2 201.661 0.471 20 0 BBADLP C[C@@H]([NH3+])CNc1nc[nH+]c(N)c1Cl ZINC000643036010 411822563 /nfs/dbraw/zinc/82/25/63/411822563.db2.gz DMVOUTAIMHJCCQ-SCSAIBSYSA-N 2 2 201.661 0.471 20 0 BBADLP Cc1nc(N(C)C2C[NH2+]C2)nc(N(C)C)[nH+]1 ZINC000643041817 385546546 /nfs/dbraw/zinc/54/65/46/385546546.db2.gz AEVVTUGBIGOWMT-UHFFFAOYSA-N 2 2 222.296 -0.346 20 0 BBADLP CN(c1cc(N2CCOCC2)[nH+]cn1)C1C[NH2+]C1 ZINC000643041922 385546390 /nfs/dbraw/zinc/54/63/90/385546390.db2.gz SGCZPANGSCUZSO-UHFFFAOYSA-N 2 2 249.318 -0.279 20 0 BBADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC000643894981 412301659 /nfs/dbraw/zinc/30/16/59/412301659.db2.gz YNPYSNMLHKAHBZ-RKDXNWHRSA-N 2 2 238.291 0.473 20 0 BBADLP C[N@H+]1CCC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC000644548089 384951250 /nfs/dbraw/zinc/95/12/50/384951250.db2.gz OMSUICFCZDWXEB-NEPJUHHUSA-N 2 2 238.335 -0.072 20 0 BBADLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC000644548089 384951243 /nfs/dbraw/zinc/95/12/43/384951243.db2.gz OMSUICFCZDWXEB-NEPJUHHUSA-N 2 2 238.335 -0.072 20 0 BBADLP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC000644548090 384949617 /nfs/dbraw/zinc/94/96/17/384949617.db2.gz OMSUICFCZDWXEB-NWDGAFQWSA-N 2 2 238.335 -0.072 20 0 BBADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC000644548090 384949610 /nfs/dbraw/zinc/94/96/10/384949610.db2.gz OMSUICFCZDWXEB-NWDGAFQWSA-N 2 2 238.335 -0.072 20 0 BBADLP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC000644548091 384951142 /nfs/dbraw/zinc/95/11/42/384951142.db2.gz OMSUICFCZDWXEB-RYUDHWBXSA-N 2 2 238.335 -0.072 20 0 BBADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC000644548091 384951137 /nfs/dbraw/zinc/95/11/37/384951137.db2.gz OMSUICFCZDWXEB-RYUDHWBXSA-N 2 2 238.335 -0.072 20 0 BBADLP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC000644548092 384950006 /nfs/dbraw/zinc/95/00/06/384950006.db2.gz OMSUICFCZDWXEB-VXGBXAGGSA-N 2 2 238.335 -0.072 20 0 BBADLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC000644548092 384950001 /nfs/dbraw/zinc/95/00/01/384950001.db2.gz OMSUICFCZDWXEB-VXGBXAGGSA-N 2 2 238.335 -0.072 20 0 BBADLP COCCOC[C@@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000644548268 384949975 /nfs/dbraw/zinc/94/99/75/384949975.db2.gz YANQUYHFXKMCNI-NEPJUHHUSA-N 2 2 246.351 -0.306 20 0 BBADLP COCCOC[C@@H](O)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000644548268 384949970 /nfs/dbraw/zinc/94/99/70/384949970.db2.gz YANQUYHFXKMCNI-NEPJUHHUSA-N 2 2 246.351 -0.306 20 0 BBADLP COCCOC[C@H](O)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000644548269 384951898 /nfs/dbraw/zinc/95/18/98/384951898.db2.gz YANQUYHFXKMCNI-NWDGAFQWSA-N 2 2 246.351 -0.306 20 0 BBADLP COCCOC[C@H](O)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000644548269 384951894 /nfs/dbraw/zinc/95/18/94/384951894.db2.gz YANQUYHFXKMCNI-NWDGAFQWSA-N 2 2 246.351 -0.306 20 0 BBADLP COCCOC[C@@H](O)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000644548270 384951074 /nfs/dbraw/zinc/95/10/74/384951074.db2.gz YANQUYHFXKMCNI-RYUDHWBXSA-N 2 2 246.351 -0.306 20 0 BBADLP COCCOC[C@@H](O)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000644548270 384951067 /nfs/dbraw/zinc/95/10/67/384951067.db2.gz YANQUYHFXKMCNI-RYUDHWBXSA-N 2 2 246.351 -0.306 20 0 BBADLP COCCOC[C@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000644548271 384949390 /nfs/dbraw/zinc/94/93/90/384949390.db2.gz YANQUYHFXKMCNI-VXGBXAGGSA-N 2 2 246.351 -0.306 20 0 BBADLP COCCOC[C@H](O)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000644548271 384949383 /nfs/dbraw/zinc/94/93/83/384949383.db2.gz YANQUYHFXKMCNI-VXGBXAGGSA-N 2 2 246.351 -0.306 20 0 BBADLP NC(=O)CC[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000644556780 384956526 /nfs/dbraw/zinc/95/65/26/384956526.db2.gz RBMYNHWNQOOLAU-JTQLQIEISA-N 2 2 211.309 -0.064 20 0 BBADLP NC(=O)CC[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000644556780 384956523 /nfs/dbraw/zinc/95/65/23/384956523.db2.gz RBMYNHWNQOOLAU-JTQLQIEISA-N 2 2 211.309 -0.064 20 0 BBADLP NC(=O)CC[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000644556781 384958279 /nfs/dbraw/zinc/95/82/79/384958279.db2.gz RBMYNHWNQOOLAU-SNVBAGLBSA-N 2 2 211.309 -0.064 20 0 BBADLP NC(=O)CC[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000644556781 384958274 /nfs/dbraw/zinc/95/82/74/384958274.db2.gz RBMYNHWNQOOLAU-SNVBAGLBSA-N 2 2 211.309 -0.064 20 0 BBADLP C[C@@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000644571919 384983463 /nfs/dbraw/zinc/98/34/63/384983463.db2.gz IGXGIFOOQWZEBC-GHMZBOCLSA-N 2 2 216.325 -0.075 20 0 BBADLP C[C@@H](O)C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000644571923 384982113 /nfs/dbraw/zinc/98/21/13/384982113.db2.gz IGXGIFOOQWZEBC-WDEREUQCSA-N 2 2 216.325 -0.075 20 0 BBADLP C[NH+](C[C@@H](O)C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1)C1CC1 ZINC000644714707 385131571 /nfs/dbraw/zinc/13/15/71/385131571.db2.gz XSSBLWQENJQJCM-NDBYEHHHSA-N 2 2 240.347 -0.388 20 0 BBADLP C[NH+](C[C@@H](O)C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1)C1CC1 ZINC000644714707 385131566 /nfs/dbraw/zinc/13/15/66/385131566.db2.gz XSSBLWQENJQJCM-NDBYEHHHSA-N 2 2 240.347 -0.388 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH+]1C[C@H]2[C@H](CO)[C@H]2C1)C1CC1 ZINC000644714707 385131559 /nfs/dbraw/zinc/13/15/59/385131559.db2.gz XSSBLWQENJQJCM-NDBYEHHHSA-N 2 2 240.347 -0.388 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH+]1C[C@H]2[C@H](CO)[C@H]2C1)C1CC1 ZINC000644714707 385131554 /nfs/dbraw/zinc/13/15/54/385131554.db2.gz XSSBLWQENJQJCM-NDBYEHHHSA-N 2 2 240.347 -0.388 20 0 BBADLP C[NH+](C[C@H](O)C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1)C1CC1 ZINC000644714708 385130534 /nfs/dbraw/zinc/13/05/34/385130534.db2.gz XSSBLWQENJQJCM-WUHRBBMRSA-N 2 2 240.347 -0.388 20 0 BBADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1)C1CC1 ZINC000644714708 385130528 /nfs/dbraw/zinc/13/05/28/385130528.db2.gz XSSBLWQENJQJCM-WUHRBBMRSA-N 2 2 240.347 -0.388 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@H]2[C@H](CO)[C@H]2C1)C1CC1 ZINC000644714708 385130521 /nfs/dbraw/zinc/13/05/21/385130521.db2.gz XSSBLWQENJQJCM-WUHRBBMRSA-N 2 2 240.347 -0.388 20 0 BBADLP C[N@H+](C[C@H](O)C[NH+]1C[C@H]2[C@H](CO)[C@H]2C1)C1CC1 ZINC000644714708 385130518 /nfs/dbraw/zinc/13/05/18/385130518.db2.gz XSSBLWQENJQJCM-WUHRBBMRSA-N 2 2 240.347 -0.388 20 0 BBADLP C[N@H+]1C[C@H]2CCN(CC[NH+]3CCOCC3)[C@@H]2C1 ZINC000644733224 385341154 /nfs/dbraw/zinc/34/11/54/385341154.db2.gz KHCRPIVZMMUMFE-CHWSQXEVSA-N 2 2 239.363 -0.046 20 0 BBADLP C[N@@H+]1C[C@H]2CCN(CC[NH+]3CCOCC3)[C@@H]2C1 ZINC000644733224 385341151 /nfs/dbraw/zinc/34/11/51/385341151.db2.gz KHCRPIVZMMUMFE-CHWSQXEVSA-N 2 2 239.363 -0.046 20 0 BBADLP C[N@H+]1C[C@H]2CCN(CC[NH+]3CCOCC3)[C@H]2C1 ZINC000644733230 385341728 /nfs/dbraw/zinc/34/17/28/385341728.db2.gz KHCRPIVZMMUMFE-OLZOCXBDSA-N 2 2 239.363 -0.046 20 0 BBADLP C[N@@H+]1C[C@H]2CCN(CC[NH+]3CCOCC3)[C@H]2C1 ZINC000644733230 385341726 /nfs/dbraw/zinc/34/17/26/385341726.db2.gz KHCRPIVZMMUMFE-OLZOCXBDSA-N 2 2 239.363 -0.046 20 0 BBADLP C[N@H+]1C[C@@H]2CCN(CC[NH+]3CCOCC3)[C@@H]2C1 ZINC000644733233 385338177 /nfs/dbraw/zinc/33/81/77/385338177.db2.gz KHCRPIVZMMUMFE-QWHCGFSZSA-N 2 2 239.363 -0.046 20 0 BBADLP C[N@@H+]1C[C@@H]2CCN(CC[NH+]3CCOCC3)[C@@H]2C1 ZINC000644733233 385338173 /nfs/dbraw/zinc/33/81/73/385338173.db2.gz KHCRPIVZMMUMFE-QWHCGFSZSA-N 2 2 239.363 -0.046 20 0 BBADLP C[N@@H+]1C[C@H]2[C@@H](CCN2CC[NH+]2CCOCC2)C1 ZINC000644733236 385338141 /nfs/dbraw/zinc/33/81/41/385338141.db2.gz KHCRPIVZMMUMFE-STQMWFEESA-N 2 2 239.363 -0.046 20 0 BBADLP C[N@H+]1C[C@H]2[C@@H](CCN2CC[NH+]2CCOCC2)C1 ZINC000644733236 385338137 /nfs/dbraw/zinc/33/81/37/385338137.db2.gz KHCRPIVZMMUMFE-STQMWFEESA-N 2 2 239.363 -0.046 20 0 BBADLP [NH3+]CCOCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000645248243 385769549 /nfs/dbraw/zinc/76/95/49/385769549.db2.gz FCZXRHALMSQINK-UHFFFAOYSA-N 2 2 248.286 -0.074 20 0 BBADLP CO[C@H](C[NH3+])C(=O)NCCNc1cccc[nH+]1 ZINC000645331276 386727490 /nfs/dbraw/zinc/72/74/90/386727490.db2.gz GGBFOXCEFJOHRG-SECBINFHSA-N 2 2 238.291 -0.417 20 0 BBADLP CO[C@@H](C[NH3+])C(=O)NCCNc1cccc[nH+]1 ZINC000645331277 386727304 /nfs/dbraw/zinc/72/73/04/386727304.db2.gz GGBFOXCEFJOHRG-VIFPVBQESA-N 2 2 238.291 -0.417 20 0 BBADLP [NH3+]CCOCC(=O)NCCNc1cccc[nH+]1 ZINC000645331344 386717538 /nfs/dbraw/zinc/71/75/38/386717538.db2.gz JUHUQSHVKDJLKM-UHFFFAOYSA-N 2 2 238.291 -0.415 20 0 BBADLP CN(CC[NH+]1CCOCC1)C(=O)CC(C)(C)[NH3+] ZINC000645886863 387985626 /nfs/dbraw/zinc/98/56/26/387985626.db2.gz GWHHICHAJBURPB-UHFFFAOYSA-N 2 2 243.351 -0.096 20 0 BBADLP C[NH2+]CCCC(=O)N(C)CC[NH+]1CCOCC1 ZINC000645886974 387985280 /nfs/dbraw/zinc/98/52/80/387985280.db2.gz LXMFPOOEUWCUBJ-UHFFFAOYSA-N 2 2 243.351 -0.223 20 0 BBADLP CN(CC[NH+]1CCOCC1)C(=O)C1([NH3+])CCC1 ZINC000645887194 387986853 /nfs/dbraw/zinc/98/68/53/387986853.db2.gz YVHPEUQGPXEQTA-UHFFFAOYSA-N 2 2 241.335 -0.342 20 0 BBADLP C[C@H]1COCC[N@H+]1CCNC(=O)CC(C)(C)[NH3+] ZINC000645933016 388238522 /nfs/dbraw/zinc/23/85/22/388238522.db2.gz UMPFYQSNGWDYKO-JTQLQIEISA-N 2 2 243.351 -0.049 20 0 BBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CC(C)(C)[NH3+] ZINC000645933016 388238520 /nfs/dbraw/zinc/23/85/20/388238520.db2.gz UMPFYQSNGWDYKO-JTQLQIEISA-N 2 2 243.351 -0.049 20 0 BBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CC(C)(C)[NH3+] ZINC000645933017 388238657 /nfs/dbraw/zinc/23/86/57/388238657.db2.gz UMPFYQSNGWDYKO-SNVBAGLBSA-N 2 2 243.351 -0.049 20 0 BBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CC(C)(C)[NH3+] ZINC000645933017 388238656 /nfs/dbraw/zinc/23/86/56/388238656.db2.gz UMPFYQSNGWDYKO-SNVBAGLBSA-N 2 2 243.351 -0.049 20 0 BBADLP O=C(Nc1cc[nH+]cc1O)[C@H]1C[NH2+]CCO1 ZINC000645952756 388267567 /nfs/dbraw/zinc/26/75/67/388267567.db2.gz OWXRXOUBQIOCLK-SECBINFHSA-N 2 2 223.232 -0.864 20 0 BBADLP O=C(Nc1cc[nH+]cc1O)[C@@H]1C[NH2+]CCO1 ZINC000645952757 388267494 /nfs/dbraw/zinc/26/74/94/388267494.db2.gz OWXRXOUBQIOCLK-VIFPVBQESA-N 2 2 223.232 -0.864 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH+]1CC(C)(C(N)=O)C1)C1CC1 ZINC000645958885 388088411 /nfs/dbraw/zinc/08/84/11/388088411.db2.gz GVNQMXRZXUDZSW-JTQLQIEISA-N 2 2 241.335 -0.751 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH+]1CC(C)(C(N)=O)C1)C1CC1 ZINC000645958886 388089277 /nfs/dbraw/zinc/08/92/77/388089277.db2.gz GVNQMXRZXUDZSW-SNVBAGLBSA-N 2 2 241.335 -0.751 20 0 BBADLP Cn1c[nH+]cc1CC[NH+]1CC(C)(C(N)=O)C1 ZINC000645958948 388088225 /nfs/dbraw/zinc/08/82/25/388088225.db2.gz UEQOHTRTVHDNDU-UHFFFAOYSA-N 2 2 222.292 -0.230 20 0 BBADLP O=C(CCOC1C[NH2+]C1)NCc1c[nH]c[nH+]1 ZINC000646046045 388131445 /nfs/dbraw/zinc/13/14/45/388131445.db2.gz BHSHXCJUEPDHBI-UHFFFAOYSA-N 2 2 224.264 -0.596 20 0 BBADLP O=C(CCOC1C[NH2+]C1)NCc1c[nH+]c[nH]1 ZINC000646046045 388131443 /nfs/dbraw/zinc/13/14/43/388131443.db2.gz BHSHXCJUEPDHBI-UHFFFAOYSA-N 2 2 224.264 -0.596 20 0 BBADLP O=C(C[NH2+]C[C@@H]1CCCO1)NCc1c[nH]c[nH+]1 ZINC000646046117 388131338 /nfs/dbraw/zinc/13/13/38/388131338.db2.gz PSEGZTAIJQQFOR-JTQLQIEISA-N 2 2 238.291 -0.206 20 0 BBADLP O=C(C[NH2+]C[C@@H]1CCCO1)NCc1c[nH+]c[nH]1 ZINC000646046117 388131336 /nfs/dbraw/zinc/13/13/36/388131336.db2.gz PSEGZTAIJQQFOR-JTQLQIEISA-N 2 2 238.291 -0.206 20 0 BBADLP O=C(C[NH2+]C[C@H]1CCCO1)NCc1c[nH]c[nH+]1 ZINC000646046118 388131394 /nfs/dbraw/zinc/13/13/94/388131394.db2.gz PSEGZTAIJQQFOR-SNVBAGLBSA-N 2 2 238.291 -0.206 20 0 BBADLP O=C(C[NH2+]C[C@H]1CCCO1)NCc1c[nH+]c[nH]1 ZINC000646046118 388131392 /nfs/dbraw/zinc/13/13/92/388131392.db2.gz PSEGZTAIJQQFOR-SNVBAGLBSA-N 2 2 238.291 -0.206 20 0 BBADLP CC(=O)NCC[N@H+](C)CCn1cc[nH+]c1 ZINC000646047197 388132393 /nfs/dbraw/zinc/13/23/93/388132393.db2.gz NXCXOPXHQGWIFZ-UHFFFAOYSA-N 2 2 210.281 -0.049 20 0 BBADLP CC(=O)NCC[N@@H+](C)CCn1cc[nH+]c1 ZINC000646047197 388132390 /nfs/dbraw/zinc/13/23/90/388132390.db2.gz NXCXOPXHQGWIFZ-UHFFFAOYSA-N 2 2 210.281 -0.049 20 0 BBADLP Cc1[nH+]cccc1Cn1nnnc1C[NH3+] ZINC000646078623 388138055 /nfs/dbraw/zinc/13/80/55/388138055.db2.gz YLLKPGKODFAQQR-UHFFFAOYSA-N 2 2 204.237 -0.116 20 0 BBADLP C[C@@H](C(N)=O)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103193 388143113 /nfs/dbraw/zinc/14/31/13/388143113.db2.gz IJUVYTSHJNIANC-JTQLQIEISA-N 2 2 241.335 -0.343 20 0 BBADLP C[C@@H](C(N)=O)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103193 388143111 /nfs/dbraw/zinc/14/31/11/388143111.db2.gz IJUVYTSHJNIANC-JTQLQIEISA-N 2 2 241.335 -0.343 20 0 BBADLP C[C@H](C(N)=O)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103194 388143386 /nfs/dbraw/zinc/14/33/86/388143386.db2.gz IJUVYTSHJNIANC-SNVBAGLBSA-N 2 2 241.335 -0.343 20 0 BBADLP C[C@H](C(N)=O)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103194 388143384 /nfs/dbraw/zinc/14/33/84/388143384.db2.gz IJUVYTSHJNIANC-SNVBAGLBSA-N 2 2 241.335 -0.343 20 0 BBADLP C[NH+]1CCC2(CC1)C[N@@H+](CC(N)=O)CCO2 ZINC000646103450 388143512 /nfs/dbraw/zinc/14/35/12/388143512.db2.gz TZRLURXVRIOVPK-UHFFFAOYSA-N 2 2 227.308 -0.732 20 0 BBADLP C[NH+]1CCC2(CC1)C[N@H+](CC(N)=O)CCO2 ZINC000646103450 388143511 /nfs/dbraw/zinc/14/35/11/388143511.db2.gz TZRLURXVRIOVPK-UHFFFAOYSA-N 2 2 227.308 -0.732 20 0 BBADLP CNC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103579 388143552 /nfs/dbraw/zinc/14/35/52/388143552.db2.gz XXNKLOQYSKMXAK-UHFFFAOYSA-N 2 2 241.335 -0.471 20 0 BBADLP CNC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103579 388143549 /nfs/dbraw/zinc/14/35/49/388143549.db2.gz XXNKLOQYSKMXAK-UHFFFAOYSA-N 2 2 241.335 -0.471 20 0 BBADLP [NH3+]CCOCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000646241778 388169488 /nfs/dbraw/zinc/16/94/88/388169488.db2.gz IVBCOAWQIFOLQD-UHFFFAOYSA-N 2 2 248.286 -0.074 20 0 BBADLP CN(CCCn1cc[nH+]c1)C(=O)COCC[NH3+] ZINC000646253088 388170220 /nfs/dbraw/zinc/17/02/20/388170220.db2.gz QHMLHMRBZXFVLJ-UHFFFAOYSA-N 2 2 240.307 -0.293 20 0 BBADLP CC1(C)C[NH2+][C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000646348433 388339655 /nfs/dbraw/zinc/33/96/55/388339655.db2.gz HZWDJDNTLHRLLB-JTQLQIEISA-N 2 2 241.335 -0.879 20 0 BBADLP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000646348434 388339774 /nfs/dbraw/zinc/33/97/74/388339774.db2.gz HZWDJDNTLHRLLB-SNVBAGLBSA-N 2 2 241.335 -0.879 20 0 BBADLP C[N@H+]1CCN(C(=O)[C@H]2CC23CC3)[C@H](C[NH3+])C1 ZINC000646833140 388563722 /nfs/dbraw/zinc/56/37/22/388563722.db2.gz BAVFBOSYLKDTSE-NXEZZACHSA-N 2 2 223.320 -0.112 20 0 BBADLP C[N@@H+]1CCN(C(=O)[C@H]2CC23CC3)[C@H](C[NH3+])C1 ZINC000646833140 388563720 /nfs/dbraw/zinc/56/37/20/388563720.db2.gz BAVFBOSYLKDTSE-NXEZZACHSA-N 2 2 223.320 -0.112 20 0 BBADLP C[N@H+]1CCN(C(=O)[C@@H]2CC23CC3)[C@@H](C[NH3+])C1 ZINC000646833141 388563477 /nfs/dbraw/zinc/56/34/77/388563477.db2.gz BAVFBOSYLKDTSE-UWVGGRQHSA-N 2 2 223.320 -0.112 20 0 BBADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC23CC3)[C@@H](C[NH3+])C1 ZINC000646833141 388563476 /nfs/dbraw/zinc/56/34/76/388563476.db2.gz BAVFBOSYLKDTSE-UWVGGRQHSA-N 2 2 223.320 -0.112 20 0 BBADLP C[N@H+]1CCN(C(=O)[C@H]2CC23CC3)[C@@H](C[NH3+])C1 ZINC000646833142 388563027 /nfs/dbraw/zinc/56/30/27/388563027.db2.gz BAVFBOSYLKDTSE-VHSXEESVSA-N 2 2 223.320 -0.112 20 0 BBADLP C[N@@H+]1CCN(C(=O)[C@H]2CC23CC3)[C@@H](C[NH3+])C1 ZINC000646833142 388563024 /nfs/dbraw/zinc/56/30/24/388563024.db2.gz BAVFBOSYLKDTSE-VHSXEESVSA-N 2 2 223.320 -0.112 20 0 BBADLP C[N@H+]1CCN(C(=O)[C@@H]2CC23CC3)[C@H](C[NH3+])C1 ZINC000646833143 388563355 /nfs/dbraw/zinc/56/33/55/388563355.db2.gz BAVFBOSYLKDTSE-ZJUUUORDSA-N 2 2 223.320 -0.112 20 0 BBADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC23CC3)[C@H](C[NH3+])C1 ZINC000646833143 388563353 /nfs/dbraw/zinc/56/33/53/388563353.db2.gz BAVFBOSYLKDTSE-ZJUUUORDSA-N 2 2 223.320 -0.112 20 0 BBADLP C[N@H+]1CCN(C(=O)C[C@H]2CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000646833144 388563337 /nfs/dbraw/zinc/56/33/37/388563337.db2.gz BNJSWWXOXSFBBU-GHMZBOCLSA-N 3 2 240.351 -0.913 20 0 BBADLP C[N@@H+]1CCN(C(=O)C[C@H]2CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000646833144 388563333 /nfs/dbraw/zinc/56/33/33/388563333.db2.gz BNJSWWXOXSFBBU-GHMZBOCLSA-N 3 2 240.351 -0.913 20 0 BBADLP C[N@H+]1CCN(C(=O)C[C@H]2CC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000646833145 388562850 /nfs/dbraw/zinc/56/28/50/388562850.db2.gz BNJSWWXOXSFBBU-MNOVXSKESA-N 3 2 240.351 -0.913 20 0 BBADLP C[N@@H+]1CCN(C(=O)C[C@H]2CC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000646833145 388562847 /nfs/dbraw/zinc/56/28/47/388562847.db2.gz BNJSWWXOXSFBBU-MNOVXSKESA-N 3 2 240.351 -0.913 20 0 BBADLP C[N@H+]1CCN(C(=O)C[C@@H]2CC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000646833146 388563438 /nfs/dbraw/zinc/56/34/38/388563438.db2.gz BNJSWWXOXSFBBU-QWRGUYRKSA-N 3 2 240.351 -0.913 20 0 BBADLP C[N@@H+]1CCN(C(=O)C[C@@H]2CC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000646833146 388563434 /nfs/dbraw/zinc/56/34/34/388563434.db2.gz BNJSWWXOXSFBBU-QWRGUYRKSA-N 3 2 240.351 -0.913 20 0 BBADLP C[N@H+]1CCN(C(=O)C[C@@H]2CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000646833147 388562840 /nfs/dbraw/zinc/56/28/40/388562840.db2.gz BNJSWWXOXSFBBU-WDEREUQCSA-N 3 2 240.351 -0.913 20 0 BBADLP C[N@@H+]1CCN(C(=O)C[C@@H]2CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000646833147 388562839 /nfs/dbraw/zinc/56/28/39/388562839.db2.gz BNJSWWXOXSFBBU-WDEREUQCSA-N 3 2 240.351 -0.913 20 0 BBADLP C[N@H+]1CCN(C(=O)CC(C)(C)[NH3+])[C@H](C[NH3+])C1 ZINC000646833195 388563135 /nfs/dbraw/zinc/56/31/35/388563135.db2.gz OVOBMRQVWJHBLP-SECBINFHSA-N 3 2 228.340 -0.785 20 0 BBADLP C[N@@H+]1CCN(C(=O)CC(C)(C)[NH3+])[C@H](C[NH3+])C1 ZINC000646833195 388563134 /nfs/dbraw/zinc/56/31/34/388563134.db2.gz OVOBMRQVWJHBLP-SECBINFHSA-N 3 2 228.340 -0.785 20 0 BBADLP C[N@H+]1CCN(C(=O)CC(C)(C)[NH3+])[C@@H](C[NH3+])C1 ZINC000646833196 388563713 /nfs/dbraw/zinc/56/37/13/388563713.db2.gz OVOBMRQVWJHBLP-VIFPVBQESA-N 3 2 228.340 -0.785 20 0 BBADLP C[N@@H+]1CCN(C(=O)CC(C)(C)[NH3+])[C@@H](C[NH3+])C1 ZINC000646833196 388563710 /nfs/dbraw/zinc/56/37/10/388563710.db2.gz OVOBMRQVWJHBLP-VIFPVBQESA-N 3 2 228.340 -0.785 20 0 BBADLP C[N@H+]1CCN(C(=O)CC2(C[NH3+])CC2)[C@@H](C[NH3+])C1 ZINC000646835378 388564835 /nfs/dbraw/zinc/56/48/35/388564835.db2.gz RPMALIBEMYKYNW-JTQLQIEISA-N 3 2 240.351 -0.783 20 0 BBADLP C[N@@H+]1CCN(C(=O)CC2(C[NH3+])CC2)[C@@H](C[NH3+])C1 ZINC000646835378 388564834 /nfs/dbraw/zinc/56/48/34/388564834.db2.gz RPMALIBEMYKYNW-JTQLQIEISA-N 3 2 240.351 -0.783 20 0 BBADLP C[N@H+]1CCN(C(=O)CC2(C[NH3+])CC2)[C@H](C[NH3+])C1 ZINC000646835379 388564601 /nfs/dbraw/zinc/56/46/01/388564601.db2.gz RPMALIBEMYKYNW-SNVBAGLBSA-N 3 2 240.351 -0.783 20 0 BBADLP C[N@@H+]1CCN(C(=O)CC2(C[NH3+])CC2)[C@H](C[NH3+])C1 ZINC000646835379 388564598 /nfs/dbraw/zinc/56/45/98/388564598.db2.gz RPMALIBEMYKYNW-SNVBAGLBSA-N 3 2 240.351 -0.783 20 0 BBADLP CC(C)OCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000646836266 584911603 /nfs/dbraw/zinc/91/16/03/584911603.db2.gz BTISCQJZLRBXRE-LLVKDONJSA-N 2 2 243.351 -0.097 20 0 BBADLP CC(C)OCCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000646836266 584911602 /nfs/dbraw/zinc/91/16/02/584911602.db2.gz BTISCQJZLRBXRE-LLVKDONJSA-N 2 2 243.351 -0.097 20 0 BBADLP CC(C)OCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000646836267 584911703 /nfs/dbraw/zinc/91/17/03/584911703.db2.gz BTISCQJZLRBXRE-NSHDSACASA-N 2 2 243.351 -0.097 20 0 BBADLP CC(C)OCCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000646836267 584911702 /nfs/dbraw/zinc/91/17/02/584911702.db2.gz BTISCQJZLRBXRE-NSHDSACASA-N 2 2 243.351 -0.097 20 0 BBADLP C[C@@H]([NH3+])CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000647022053 385152565 /nfs/dbraw/zinc/15/25/65/385152565.db2.gz UYRIVXAZMOMIPM-MRVPVSSYSA-N 2 2 246.274 -0.261 20 0 BBADLP C[C@H]([NH3+])CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000647022054 385152943 /nfs/dbraw/zinc/15/29/43/385152943.db2.gz UYRIVXAZMOMIPM-QMMMGPOBSA-N 2 2 246.274 -0.261 20 0 BBADLP CC(C)([NH3+])C[NH+]1CCC(NS(C)(=O)=O)CC1 ZINC000647513565 384423427 /nfs/dbraw/zinc/42/34/27/384423427.db2.gz JOMDPZZMWOFETM-UHFFFAOYSA-N 2 2 249.380 -0.263 20 0 BBADLP COCC(=O)NC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000647514130 384430646 /nfs/dbraw/zinc/43/06/46/384430646.db2.gz NSCIQAOXDTVILR-UHFFFAOYSA-N 2 2 243.351 -0.049 20 0 BBADLP C[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000647529371 384606270 /nfs/dbraw/zinc/60/62/70/384606270.db2.gz RYPHALLVNCMCEI-GHMZBOCLSA-N 2 2 216.325 -0.196 20 0 BBADLP C[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000647529371 384606264 /nfs/dbraw/zinc/60/62/64/384606264.db2.gz RYPHALLVNCMCEI-GHMZBOCLSA-N 2 2 216.325 -0.196 20 0 BBADLP C[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000647529372 384605717 /nfs/dbraw/zinc/60/57/17/384605717.db2.gz RYPHALLVNCMCEI-MNOVXSKESA-N 2 2 216.325 -0.196 20 0 BBADLP C[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000647529372 384605713 /nfs/dbraw/zinc/60/57/13/384605713.db2.gz RYPHALLVNCMCEI-MNOVXSKESA-N 2 2 216.325 -0.196 20 0 BBADLP CC[C@@H](O)C[NH2+]CC[N@@H+](CC)CCO ZINC000647529472 384601159 /nfs/dbraw/zinc/60/11/59/384601159.db2.gz HRMYFLDFCVCSQB-SNVBAGLBSA-N 2 2 204.314 -0.339 20 0 BBADLP CC[C@@H](O)C[NH2+]CC[N@H+](CC)CCO ZINC000647529472 384601151 /nfs/dbraw/zinc/60/11/51/384601151.db2.gz HRMYFLDFCVCSQB-SNVBAGLBSA-N 2 2 204.314 -0.339 20 0 BBADLP C[C@@H](O)C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000647529907 384610550 /nfs/dbraw/zinc/61/05/50/384610550.db2.gz UFGLBFPCUUVMQH-GHMZBOCLSA-N 2 2 216.325 -0.196 20 0 BBADLP C[C@@H](O)C[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000647529907 384610540 /nfs/dbraw/zinc/61/05/40/384610540.db2.gz UFGLBFPCUUVMQH-GHMZBOCLSA-N 2 2 216.325 -0.196 20 0 BBADLP C[C@@H](O)C[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000647529908 384610856 /nfs/dbraw/zinc/61/08/56/384610856.db2.gz UFGLBFPCUUVMQH-MNOVXSKESA-N 2 2 216.325 -0.196 20 0 BBADLP C[C@@H](O)C[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000647529908 384610851 /nfs/dbraw/zinc/61/08/51/384610851.db2.gz UFGLBFPCUUVMQH-MNOVXSKESA-N 2 2 216.325 -0.196 20 0 BBADLP C[C@H](O)C[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000647529909 384611979 /nfs/dbraw/zinc/61/19/79/384611979.db2.gz UFGLBFPCUUVMQH-QWRGUYRKSA-N 2 2 216.325 -0.196 20 0 BBADLP C[C@H](O)C[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000647529909 384611975 /nfs/dbraw/zinc/61/19/75/384611975.db2.gz UFGLBFPCUUVMQH-QWRGUYRKSA-N 2 2 216.325 -0.196 20 0 BBADLP C[C@H](O)C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000647529910 384611333 /nfs/dbraw/zinc/61/13/33/384611333.db2.gz UFGLBFPCUUVMQH-WDEREUQCSA-N 2 2 216.325 -0.196 20 0 BBADLP C[C@H](O)C[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000647529910 384611326 /nfs/dbraw/zinc/61/13/26/384611326.db2.gz UFGLBFPCUUVMQH-WDEREUQCSA-N 2 2 216.325 -0.196 20 0 BBADLP C[C@@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000647530111 384616527 /nfs/dbraw/zinc/61/65/27/384616527.db2.gz OIAYPOPAIONAOX-GHMZBOCLSA-N 2 2 216.325 -0.196 20 0 BBADLP C[C@@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000647530111 384616522 /nfs/dbraw/zinc/61/65/22/384616522.db2.gz OIAYPOPAIONAOX-GHMZBOCLSA-N 2 2 216.325 -0.196 20 0 BBADLP C[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000647530112 384615054 /nfs/dbraw/zinc/61/50/54/384615054.db2.gz OIAYPOPAIONAOX-MNOVXSKESA-N 2 2 216.325 -0.196 20 0 BBADLP C[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000647530112 384615048 /nfs/dbraw/zinc/61/50/48/384615048.db2.gz OIAYPOPAIONAOX-MNOVXSKESA-N 2 2 216.325 -0.196 20 0 BBADLP C[N@H+]1CCN(Cc2ccc(N)nc2)[C@H](C[NH3+])C1 ZINC000647539446 411892949 /nfs/dbraw/zinc/89/29/49/411892949.db2.gz AXQBAOOSQYZCAA-LLVKDONJSA-N 2 2 235.335 -0.262 20 0 BBADLP C[N@@H+]1CCN(Cc2ccc(N)nc2)[C@H](C[NH3+])C1 ZINC000647539446 411892948 /nfs/dbraw/zinc/89/29/48/411892948.db2.gz AXQBAOOSQYZCAA-LLVKDONJSA-N 2 2 235.335 -0.262 20 0 BBADLP C[N@H+]1CCN(Cc2ccc(N)nc2)[C@@H](C[NH3+])C1 ZINC000647539447 411892885 /nfs/dbraw/zinc/89/28/85/411892885.db2.gz AXQBAOOSQYZCAA-NSHDSACASA-N 2 2 235.335 -0.262 20 0 BBADLP C[N@@H+]1CCN(Cc2ccc(N)nc2)[C@@H](C[NH3+])C1 ZINC000647539447 411892881 /nfs/dbraw/zinc/89/28/81/411892881.db2.gz AXQBAOOSQYZCAA-NSHDSACASA-N 2 2 235.335 -0.262 20 0 BBADLP Cc1c[nH]nc1CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000647539460 384679610 /nfs/dbraw/zinc/67/96/10/384679610.db2.gz CCOCJDNZIFZTPS-JTQLQIEISA-N 2 2 223.324 -0.207 20 0 BBADLP Cc1c[nH]nc1CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000647539460 384679603 /nfs/dbraw/zinc/67/96/03/384679603.db2.gz CCOCJDNZIFZTPS-JTQLQIEISA-N 2 2 223.324 -0.207 20 0 BBADLP Cc1c[nH]nc1CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000647539461 384679061 /nfs/dbraw/zinc/67/90/61/384679061.db2.gz CCOCJDNZIFZTPS-SNVBAGLBSA-N 2 2 223.324 -0.207 20 0 BBADLP Cc1c[nH]nc1CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000647539461 384679057 /nfs/dbraw/zinc/67/90/57/384679057.db2.gz CCOCJDNZIFZTPS-SNVBAGLBSA-N 2 2 223.324 -0.207 20 0 BBADLP Cc1cc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])nn1C ZINC000647539570 384678675 /nfs/dbraw/zinc/67/86/75/384678675.db2.gz SEXUVQOXJZPVPT-GFCCVEGCSA-N 2 2 237.351 -0.197 20 0 BBADLP Cc1cc(CN2CC[N@H+](C)C[C@H]2C[NH3+])nn1C ZINC000647539570 384678669 /nfs/dbraw/zinc/67/86/69/384678669.db2.gz SEXUVQOXJZPVPT-GFCCVEGCSA-N 2 2 237.351 -0.197 20 0 BBADLP Cc1cc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])nn1C ZINC000647539571 384678440 /nfs/dbraw/zinc/67/84/40/384678440.db2.gz SEXUVQOXJZPVPT-LBPRGKRZSA-N 2 2 237.351 -0.197 20 0 BBADLP Cc1cc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])nn1C ZINC000647539571 384678438 /nfs/dbraw/zinc/67/84/38/384678438.db2.gz SEXUVQOXJZPVPT-LBPRGKRZSA-N 2 2 237.351 -0.197 20 0 BBADLP CC(C)C[C@@H]([NH3+])CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000647539600 384680552 /nfs/dbraw/zinc/68/05/52/384680552.db2.gz VRHYPYQFLGIHBB-NEPJUHHUSA-N 3 2 228.384 -0.066 20 0 BBADLP CC(C)C[C@@H]([NH3+])CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000647539600 384680551 /nfs/dbraw/zinc/68/05/51/384680551.db2.gz VRHYPYQFLGIHBB-NEPJUHHUSA-N 3 2 228.384 -0.066 20 0 BBADLP CC(C)C[C@H]([NH3+])CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000647539601 384680784 /nfs/dbraw/zinc/68/07/84/384680784.db2.gz VRHYPYQFLGIHBB-NWDGAFQWSA-N 3 2 228.384 -0.066 20 0 BBADLP CC(C)C[C@H]([NH3+])CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000647539601 384680778 /nfs/dbraw/zinc/68/07/78/384680778.db2.gz VRHYPYQFLGIHBB-NWDGAFQWSA-N 3 2 228.384 -0.066 20 0 BBADLP CC(C)C[C@H]([NH3+])CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000647539602 384678517 /nfs/dbraw/zinc/67/85/17/384678517.db2.gz VRHYPYQFLGIHBB-RYUDHWBXSA-N 3 2 228.384 -0.066 20 0 BBADLP CC(C)C[C@H]([NH3+])CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000647539602 384678511 /nfs/dbraw/zinc/67/85/11/384678511.db2.gz VRHYPYQFLGIHBB-RYUDHWBXSA-N 3 2 228.384 -0.066 20 0 BBADLP CC(C)C[C@@H]([NH3+])CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000647539603 384681064 /nfs/dbraw/zinc/68/10/64/384681064.db2.gz VRHYPYQFLGIHBB-VXGBXAGGSA-N 3 2 228.384 -0.066 20 0 BBADLP CC(C)C[C@@H]([NH3+])CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000647539603 384681060 /nfs/dbraw/zinc/68/10/60/384681060.db2.gz VRHYPYQFLGIHBB-VXGBXAGGSA-N 3 2 228.384 -0.066 20 0 BBADLP C[C@H]1C[NH2+]C[C@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000647546488 384730951 /nfs/dbraw/zinc/73/09/51/384730951.db2.gz MKMFGGMJEAGXFT-CHWSQXEVSA-N 3 2 240.395 -0.131 20 0 BBADLP C[C@H]1C[NH2+]C[C@@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000647546489 384729681 /nfs/dbraw/zinc/72/96/81/384729681.db2.gz MKMFGGMJEAGXFT-OLZOCXBDSA-N 3 2 240.395 -0.131 20 0 BBADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000647546490 384731732 /nfs/dbraw/zinc/73/17/32/384731732.db2.gz MKMFGGMJEAGXFT-QWHCGFSZSA-N 3 2 240.395 -0.131 20 0 BBADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000647546491 384729453 /nfs/dbraw/zinc/72/94/53/384729453.db2.gz MKMFGGMJEAGXFT-STQMWFEESA-N 3 2 240.395 -0.131 20 0 BBADLP CN1CC[NH2+]C[C@@H]1C[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000647547102 384737542 /nfs/dbraw/zinc/73/75/42/384737542.db2.gz NWQUKPKBYYHVQX-NEPJUHHUSA-N 3 2 226.368 -0.521 20 0 BBADLP CN1CC[NH2+]C[C@H]1C[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000647547103 384738102 /nfs/dbraw/zinc/73/81/02/384738102.db2.gz NWQUKPKBYYHVQX-NWDGAFQWSA-N 3 2 226.368 -0.521 20 0 BBADLP CN1CC[NH2+]C[C@H]1C[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000647547104 384737924 /nfs/dbraw/zinc/73/79/24/384737924.db2.gz NWQUKPKBYYHVQX-RYUDHWBXSA-N 3 2 226.368 -0.521 20 0 BBADLP CN1CC[NH2+]C[C@@H]1C[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000647547105 384735649 /nfs/dbraw/zinc/73/56/49/384735649.db2.gz NWQUKPKBYYHVQX-VXGBXAGGSA-N 3 2 226.368 -0.521 20 0 BBADLP Nc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cn1 ZINC000647547201 411956392 /nfs/dbraw/zinc/95/63/92/411956392.db2.gz QVGPELWTIWNZRB-JZYVYDRUSA-N 2 2 204.277 -0.029 20 0 BBADLP C[C@H]1C[NH2+]C[C@@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000647547405 384737702 /nfs/dbraw/zinc/73/77/02/384737702.db2.gz VKVKHJUYMUZCPT-NEPJUHHUSA-N 3 2 226.368 -0.521 20 0 BBADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000647547406 384736858 /nfs/dbraw/zinc/73/68/58/384736858.db2.gz VKVKHJUYMUZCPT-NWDGAFQWSA-N 3 2 226.368 -0.521 20 0 BBADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000647547407 384736757 /nfs/dbraw/zinc/73/67/57/384736757.db2.gz VKVKHJUYMUZCPT-RYUDHWBXSA-N 3 2 226.368 -0.521 20 0 BBADLP C[C@H]1C[NH2+]C[C@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000647547408 384737818 /nfs/dbraw/zinc/73/78/18/384737818.db2.gz VKVKHJUYMUZCPT-VXGBXAGGSA-N 3 2 226.368 -0.521 20 0 BBADLP COCC[NH2+]CC[NH2+]Cc1ccc(N)nc1 ZINC000647547539 411864014 /nfs/dbraw/zinc/86/40/14/411864014.db2.gz YLGWYSTVMVEOKM-UHFFFAOYSA-N 2 2 224.308 -0.011 20 0 BBADLP CN1CC[NH2+]C[C@H]1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000647547570 384740946 /nfs/dbraw/zinc/74/09/46/384740946.db2.gz ZNGWLOMHINCXCR-NEPJUHHUSA-N 3 2 226.368 -0.521 20 0 BBADLP CN1CC[NH2+]C[C@@H]1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000647547571 384740716 /nfs/dbraw/zinc/74/07/16/384740716.db2.gz ZNGWLOMHINCXCR-NWDGAFQWSA-N 3 2 226.368 -0.521 20 0 BBADLP CN1CC[NH2+]C[C@H]1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000647547572 384741243 /nfs/dbraw/zinc/74/12/43/384741243.db2.gz ZNGWLOMHINCXCR-RYUDHWBXSA-N 3 2 226.368 -0.521 20 0 BBADLP CN1CC[NH2+]C[C@@H]1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000647547573 384739797 /nfs/dbraw/zinc/73/97/97/384739797.db2.gz ZNGWLOMHINCXCR-VXGBXAGGSA-N 3 2 226.368 -0.521 20 0 BBADLP Nc1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cn1 ZINC000647548086 487965755 /nfs/dbraw/zinc/96/57/55/487965755.db2.gz UXIZHPUCKIAQMY-LLVKDONJSA-N 2 2 236.319 0.132 20 0 BBADLP Nc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cn1 ZINC000647548087 411283702 /nfs/dbraw/zinc/28/37/02/411283702.db2.gz UXIZHPUCKIAQMY-NSHDSACASA-N 2 2 236.319 0.132 20 0 BBADLP Nc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cn1 ZINC000647551830 411283679 /nfs/dbraw/zinc/28/36/79/411283679.db2.gz QEDFAUJRVFKNOM-JTQLQIEISA-N 2 2 222.292 -0.258 20 0 BBADLP Nc1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)cn1 ZINC000647551831 487965951 /nfs/dbraw/zinc/96/59/51/487965951.db2.gz QEDFAUJRVFKNOM-SNVBAGLBSA-N 2 2 222.292 -0.258 20 0 BBADLP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1C[NH2+]CCO1 ZINC000647551879 384752945 /nfs/dbraw/zinc/75/29/45/384752945.db2.gz UMYIPQSTVASAKU-LOWDOPEQSA-N 3 2 239.363 -0.048 20 0 BBADLP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1C[NH2+]CCO1 ZINC000647551880 384753925 /nfs/dbraw/zinc/75/39/25/384753925.db2.gz UMYIPQSTVASAKU-LPWJVIDDSA-N 3 2 239.363 -0.048 20 0 BBADLP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@@H]1C[NH2+]CCO1 ZINC000647551881 384755018 /nfs/dbraw/zinc/75/50/18/384755018.db2.gz UMYIPQSTVASAKU-RVMXOQNASA-N 3 2 239.363 -0.048 20 0 BBADLP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1C[NH2+]CCO1 ZINC000647551882 384754252 /nfs/dbraw/zinc/75/42/52/384754252.db2.gz UMYIPQSTVASAKU-XQHKEYJVSA-N 3 2 239.363 -0.048 20 0 BBADLP C[N@@H+](CCC[NH3+])CCN1CCCS1(=O)=O ZINC000647552482 384761434 /nfs/dbraw/zinc/76/14/34/384761434.db2.gz AWZAOCIFRISPRX-UHFFFAOYSA-N 2 2 235.353 -0.698 20 0 BBADLP C[N@H+](CCC[NH3+])CCN1CCCS1(=O)=O ZINC000647552482 384761429 /nfs/dbraw/zinc/76/14/29/384761429.db2.gz AWZAOCIFRISPRX-UHFFFAOYSA-N 2 2 235.353 -0.698 20 0 BBADLP C[NH+](C)C[C@@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC000647710495 385604036 /nfs/dbraw/zinc/60/40/36/385604036.db2.gz CNESEXWSULKQRT-JTQLQIEISA-N 2 2 240.307 -0.688 20 0 BBADLP C[NH+](C)C[C@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC000647710496 385604065 /nfs/dbraw/zinc/60/40/65/385604065.db2.gz CNESEXWSULKQRT-SNVBAGLBSA-N 2 2 240.307 -0.688 20 0 BBADLP Nc1ccc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)c[nH+]1 ZINC000647756440 411961408 /nfs/dbraw/zinc/96/14/08/411961408.db2.gz HHPFSHNOXRXHER-MBTKJCJQSA-N 2 2 218.260 0.068 20 0 BBADLP CC1(OCC(=O)Nc2ccc(N)[nH+]c2)C[NH2+]C1 ZINC000647756529 411891830 /nfs/dbraw/zinc/89/18/30/411891830.db2.gz QQPKBYJDSZFMJV-UHFFFAOYSA-N 2 2 236.275 -0.019 20 0 BBADLP C[NH+](C)CC(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000647806029 385848887 /nfs/dbraw/zinc/84/88/87/385848887.db2.gz OLQQDJVWNDXMRC-UHFFFAOYSA-N 2 2 241.335 -0.661 20 0 BBADLP [NH3+]CC1CC[NH+](CC(=O)Nc2ccon2)CC1 ZINC000647811446 412297880 /nfs/dbraw/zinc/29/78/80/412297880.db2.gz FVHIKISNYLRTCF-UHFFFAOYSA-N 2 2 238.291 0.284 20 0 BBADLP [NH3+][C@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000647813487 385866386 /nfs/dbraw/zinc/86/63/86/385866386.db2.gz VMNMJKUBJRHSHH-NSHDSACASA-N 3 2 212.341 -0.685 20 0 BBADLP [NH3+][C@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000647813487 385866383 /nfs/dbraw/zinc/86/63/83/385866383.db2.gz VMNMJKUBJRHSHH-NSHDSACASA-N 3 2 212.341 -0.685 20 0 BBADLP CNC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814753 385868140 /nfs/dbraw/zinc/86/81/40/385868140.db2.gz CZXNKHFDFOOOSR-UHFFFAOYSA-N 2 2 211.309 -0.051 20 0 BBADLP CNC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814753 385868135 /nfs/dbraw/zinc/86/81/35/385868135.db2.gz CZXNKHFDFOOOSR-UHFFFAOYSA-N 2 2 211.309 -0.051 20 0 BBADLP C[C@H](C(=O)N(C)CCC[NH3+])[NH+]1CCN(C)CC1 ZINC000647830250 385880414 /nfs/dbraw/zinc/88/04/14/385880414.db2.gz DAHNJBWXWIJFGW-LLVKDONJSA-N 2 2 242.367 -0.571 20 0 BBADLP C[C@@H](C(=O)N(C)CCC[NH3+])[NH+]1CCN(C)CC1 ZINC000647830251 385879924 /nfs/dbraw/zinc/87/99/24/385879924.db2.gz DAHNJBWXWIJFGW-NSHDSACASA-N 2 2 242.367 -0.571 20 0 BBADLP C[C@@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)[C@@H]1C[NH3+] ZINC000647847058 385906262 /nfs/dbraw/zinc/90/62/62/385906262.db2.gz XLLNTOCPVPDQBO-CHWSQXEVSA-N 3 2 240.395 -0.049 20 0 BBADLP C[C@@H]1CCC[N@H+](CCN2CC[NH2+]CC2)[C@@H]1C[NH3+] ZINC000647847058 385906258 /nfs/dbraw/zinc/90/62/58/385906258.db2.gz XLLNTOCPVPDQBO-CHWSQXEVSA-N 3 2 240.395 -0.049 20 0 BBADLP C[C@@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)[C@H]1C[NH3+] ZINC000647847059 385906957 /nfs/dbraw/zinc/90/69/57/385906957.db2.gz XLLNTOCPVPDQBO-OLZOCXBDSA-N 3 2 240.395 -0.049 20 0 BBADLP C[C@@H]1CCC[N@H+](CCN2CC[NH2+]CC2)[C@H]1C[NH3+] ZINC000647847059 385906953 /nfs/dbraw/zinc/90/69/53/385906953.db2.gz XLLNTOCPVPDQBO-OLZOCXBDSA-N 3 2 240.395 -0.049 20 0 BBADLP C[C@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)[C@@H]1C[NH3+] ZINC000647847061 385907201 /nfs/dbraw/zinc/90/72/01/385907201.db2.gz XLLNTOCPVPDQBO-QWHCGFSZSA-N 3 2 240.395 -0.049 20 0 BBADLP C[C@H]1CCC[N@H+](CCN2CC[NH2+]CC2)[C@@H]1C[NH3+] ZINC000647847061 385907197 /nfs/dbraw/zinc/90/71/97/385907197.db2.gz XLLNTOCPVPDQBO-QWHCGFSZSA-N 3 2 240.395 -0.049 20 0 BBADLP C[C@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)[C@H]1C[NH3+] ZINC000647847063 385907502 /nfs/dbraw/zinc/90/75/02/385907502.db2.gz XLLNTOCPVPDQBO-STQMWFEESA-N 3 2 240.395 -0.049 20 0 BBADLP C[C@H]1CCC[N@H+](CCN2CC[NH2+]CC2)[C@H]1C[NH3+] ZINC000647847063 385907498 /nfs/dbraw/zinc/90/74/98/385907498.db2.gz XLLNTOCPVPDQBO-STQMWFEESA-N 3 2 240.395 -0.049 20 0 BBADLP C[C@@H]1C[N@@H+](CCN(C)CCC[NH3+])CCO1 ZINC000647847342 385896675 /nfs/dbraw/zinc/89/66/75/385896675.db2.gz KHAVTBQZGLNWEE-LLVKDONJSA-N 2 2 215.341 -0.012 20 0 BBADLP C[C@@H]1C[N@H+](CCN(C)CCC[NH3+])CCO1 ZINC000647847342 385896670 /nfs/dbraw/zinc/89/66/70/385896670.db2.gz KHAVTBQZGLNWEE-LLVKDONJSA-N 2 2 215.341 -0.012 20 0 BBADLP C[C@H]1C[N@@H+](CCN(C)CCC[NH3+])CCO1 ZINC000647847343 385897181 /nfs/dbraw/zinc/89/71/81/385897181.db2.gz KHAVTBQZGLNWEE-NSHDSACASA-N 2 2 215.341 -0.012 20 0 BBADLP C[C@H]1C[N@H+](CCN(C)CCC[NH3+])CCO1 ZINC000647847343 385897179 /nfs/dbraw/zinc/89/71/79/385897179.db2.gz KHAVTBQZGLNWEE-NSHDSACASA-N 2 2 215.341 -0.012 20 0 BBADLP C[N@@H+](CC(=O)Nc1ccon1)CC(C)(C)C[NH3+] ZINC000647857211 411409472 /nfs/dbraw/zinc/40/94/72/411409472.db2.gz QAGVUNJVYYGVER-UHFFFAOYSA-N 2 2 240.307 0.530 20 0 BBADLP C[N@H+](CC(=O)Nc1ccon1)CC(C)(C)C[NH3+] ZINC000647857211 411409469 /nfs/dbraw/zinc/40/94/69/411409469.db2.gz QAGVUNJVYYGVER-UHFFFAOYSA-N 2 2 240.307 0.530 20 0 BBADLP CCN(C)C(=O)CC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000647865258 385991414 /nfs/dbraw/zinc/99/14/14/385991414.db2.gz DVMICQVUPBBAKG-GHMZBOCLSA-N 2 2 243.351 -0.097 20 0 BBADLP CCN(C)C(=O)CC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000647865258 385991410 /nfs/dbraw/zinc/99/14/10/385991410.db2.gz DVMICQVUPBBAKG-GHMZBOCLSA-N 2 2 243.351 -0.097 20 0 BBADLP CCN(C)C(=O)CC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000647865259 385992586 /nfs/dbraw/zinc/99/25/86/385992586.db2.gz DVMICQVUPBBAKG-MNOVXSKESA-N 2 2 243.351 -0.097 20 0 BBADLP CCN(C)C(=O)CC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000647865259 385992581 /nfs/dbraw/zinc/99/25/81/385992581.db2.gz DVMICQVUPBBAKG-MNOVXSKESA-N 2 2 243.351 -0.097 20 0 BBADLP CCN(C)C(=O)CC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647865260 385992276 /nfs/dbraw/zinc/99/22/76/385992276.db2.gz DVMICQVUPBBAKG-QWRGUYRKSA-N 2 2 243.351 -0.097 20 0 BBADLP CCN(C)C(=O)CC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647865260 385992271 /nfs/dbraw/zinc/99/22/71/385992271.db2.gz DVMICQVUPBBAKG-QWRGUYRKSA-N 2 2 243.351 -0.097 20 0 BBADLP CCN(C)C(=O)CC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647865261 385992764 /nfs/dbraw/zinc/99/27/64/385992764.db2.gz DVMICQVUPBBAKG-WDEREUQCSA-N 2 2 243.351 -0.097 20 0 BBADLP CCN(C)C(=O)CC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647865261 385992761 /nfs/dbraw/zinc/99/27/61/385992761.db2.gz DVMICQVUPBBAKG-WDEREUQCSA-N 2 2 243.351 -0.097 20 0 BBADLP C[C@](C[NH3+])([NH2+]CC(=O)Nc1ccon1)C1CC1 ZINC000647867339 412275723 /nfs/dbraw/zinc/27/57/23/412275723.db2.gz RZPSGDFLZRRCCT-LLVKDONJSA-N 2 2 238.291 0.330 20 0 BBADLP C[C@@](C[NH3+])([NH2+]CC(=O)Nc1ccon1)C1CC1 ZINC000647867340 412169717 /nfs/dbraw/zinc/16/97/17/412169717.db2.gz RZPSGDFLZRRCCT-NSHDSACASA-N 2 2 238.291 0.330 20 0 BBADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccon1 ZINC000647869181 412314345 /nfs/dbraw/zinc/31/43/45/412314345.db2.gz ZRJLIUQVRAAEEX-LLVKDONJSA-N 2 2 240.307 0.576 20 0 BBADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccon1 ZINC000647869182 412318937 /nfs/dbraw/zinc/31/89/37/412318937.db2.gz ZRJLIUQVRAAEEX-NSHDSACASA-N 2 2 240.307 0.576 20 0 BBADLP C[N@H+]1CCN(C(=O)CCC(C)(C)[NH3+])[C@@H](C[NH3+])C1 ZINC000647872655 386137554 /nfs/dbraw/zinc/13/75/54/386137554.db2.gz OJTYELDTIUBKIW-JTQLQIEISA-N 3 2 242.367 -0.395 20 0 BBADLP C[N@@H+]1CCN(C(=O)CCC(C)(C)[NH3+])[C@@H](C[NH3+])C1 ZINC000647872655 386137548 /nfs/dbraw/zinc/13/75/48/386137548.db2.gz OJTYELDTIUBKIW-JTQLQIEISA-N 3 2 242.367 -0.395 20 0 BBADLP C[N@H+]1CCN(C(=O)CCC(C)(C)[NH3+])[C@H](C[NH3+])C1 ZINC000647872656 386138252 /nfs/dbraw/zinc/13/82/52/386138252.db2.gz OJTYELDTIUBKIW-SNVBAGLBSA-N 3 2 242.367 -0.395 20 0 BBADLP C[N@@H+]1CCN(C(=O)CCC(C)(C)[NH3+])[C@H](C[NH3+])C1 ZINC000647872656 386138248 /nfs/dbraw/zinc/13/82/48/386138248.db2.gz OJTYELDTIUBKIW-SNVBAGLBSA-N 3 2 242.367 -0.395 20 0 BBADLP CCNC(=O)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647873548 386120247 /nfs/dbraw/zinc/12/02/47/386120247.db2.gz ZJMYPGURKOUCTR-LLVKDONJSA-N 2 2 240.351 -0.057 20 0 BBADLP CCNC(=O)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647873549 386120487 /nfs/dbraw/zinc/12/04/87/386120487.db2.gz ZJMYPGURKOUCTR-NSHDSACASA-N 2 2 240.351 -0.057 20 0 BBADLP COCC(=O)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647874760 386144273 /nfs/dbraw/zinc/14/42/73/386144273.db2.gz VOSOHLFDIDRERD-LLVKDONJSA-N 2 2 241.335 -0.614 20 0 BBADLP COCC(=O)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647874761 386142978 /nfs/dbraw/zinc/14/29/78/386142978.db2.gz VOSOHLFDIDRERD-NSHDSACASA-N 2 2 241.335 -0.614 20 0 BBADLP C[NH2+]CCC[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000647876944 386145513 /nfs/dbraw/zinc/14/55/13/386145513.db2.gz DOLGFGATFCYVAE-JTQLQIEISA-N 2 2 249.380 -0.391 20 0 BBADLP C[NH2+]CCC[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000647876944 386145510 /nfs/dbraw/zinc/14/55/10/386145510.db2.gz DOLGFGATFCYVAE-JTQLQIEISA-N 2 2 249.380 -0.391 20 0 BBADLP C[NH2+]CCC[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000647876945 386144831 /nfs/dbraw/zinc/14/48/31/386144831.db2.gz DOLGFGATFCYVAE-SNVBAGLBSA-N 2 2 249.380 -0.391 20 0 BBADLP C[NH2+]CCC[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000647876945 386144828 /nfs/dbraw/zinc/14/48/28/386144828.db2.gz DOLGFGATFCYVAE-SNVBAGLBSA-N 2 2 249.380 -0.391 20 0 BBADLP COCC[N@H+](CC(=O)N(C)C)C[C@@H]1CC[NH2+]C1 ZINC000647879836 386186087 /nfs/dbraw/zinc/18/60/87/386186087.db2.gz IGVHJWZBHFMERC-LLVKDONJSA-N 2 2 243.351 -0.368 20 0 BBADLP COCC[N@@H+](CC(=O)N(C)C)C[C@@H]1CC[NH2+]C1 ZINC000647879836 386186081 /nfs/dbraw/zinc/18/60/81/386186081.db2.gz IGVHJWZBHFMERC-LLVKDONJSA-N 2 2 243.351 -0.368 20 0 BBADLP COCC[N@H+](CC(=O)N(C)C)C[C@H]1CC[NH2+]C1 ZINC000647879837 386186413 /nfs/dbraw/zinc/18/64/13/386186413.db2.gz IGVHJWZBHFMERC-NSHDSACASA-N 2 2 243.351 -0.368 20 0 BBADLP COCC[N@@H+](CC(=O)N(C)C)C[C@H]1CC[NH2+]C1 ZINC000647879837 386186409 /nfs/dbraw/zinc/18/64/09/386186409.db2.gz IGVHJWZBHFMERC-NSHDSACASA-N 2 2 243.351 -0.368 20 0 BBADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000647882184 386219790 /nfs/dbraw/zinc/21/97/90/386219790.db2.gz TYYKKGZMAOWFGI-NXEZZACHSA-N 2 2 226.324 -0.177 20 0 BBADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000647882184 386219786 /nfs/dbraw/zinc/21/97/86/386219786.db2.gz TYYKKGZMAOWFGI-NXEZZACHSA-N 2 2 226.324 -0.177 20 0 BBADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000647882185 386221158 /nfs/dbraw/zinc/22/11/58/386221158.db2.gz TYYKKGZMAOWFGI-UWVGGRQHSA-N 2 2 226.324 -0.177 20 0 BBADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000647882185 386221154 /nfs/dbraw/zinc/22/11/54/386221154.db2.gz TYYKKGZMAOWFGI-UWVGGRQHSA-N 2 2 226.324 -0.177 20 0 BBADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000647882186 386219576 /nfs/dbraw/zinc/21/95/76/386219576.db2.gz TYYKKGZMAOWFGI-VHSXEESVSA-N 2 2 226.324 -0.177 20 0 BBADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000647882186 386219571 /nfs/dbraw/zinc/21/95/71/386219571.db2.gz TYYKKGZMAOWFGI-VHSXEESVSA-N 2 2 226.324 -0.177 20 0 BBADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000647882187 386220195 /nfs/dbraw/zinc/22/01/95/386220195.db2.gz TYYKKGZMAOWFGI-ZJUUUORDSA-N 2 2 226.324 -0.177 20 0 BBADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000647882187 386220188 /nfs/dbraw/zinc/22/01/88/386220188.db2.gz TYYKKGZMAOWFGI-ZJUUUORDSA-N 2 2 226.324 -0.177 20 0 BBADLP CS(=O)(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647886055 386295010 /nfs/dbraw/zinc/29/50/10/386295010.db2.gz MLQKVQDMEZEIFO-NXEZZACHSA-N 2 2 247.364 -0.781 20 0 BBADLP CS(=O)(=O)N[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647886055 386295008 /nfs/dbraw/zinc/29/50/08/386295008.db2.gz MLQKVQDMEZEIFO-NXEZZACHSA-N 2 2 247.364 -0.781 20 0 BBADLP CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647886059 386294416 /nfs/dbraw/zinc/29/44/16/386294416.db2.gz MLQKVQDMEZEIFO-UWVGGRQHSA-N 2 2 247.364 -0.781 20 0 BBADLP CS(=O)(=O)N[C@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647886059 386294411 /nfs/dbraw/zinc/29/44/11/386294411.db2.gz MLQKVQDMEZEIFO-UWVGGRQHSA-N 2 2 247.364 -0.781 20 0 BBADLP CS(=O)(=O)N[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647886060 386294677 /nfs/dbraw/zinc/29/46/77/386294677.db2.gz MLQKVQDMEZEIFO-VHSXEESVSA-N 2 2 247.364 -0.781 20 0 BBADLP CS(=O)(=O)N[C@@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647886060 386294674 /nfs/dbraw/zinc/29/46/74/386294674.db2.gz MLQKVQDMEZEIFO-VHSXEESVSA-N 2 2 247.364 -0.781 20 0 BBADLP CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647886061 386293609 /nfs/dbraw/zinc/29/36/09/386293609.db2.gz MLQKVQDMEZEIFO-ZJUUUORDSA-N 2 2 247.364 -0.781 20 0 BBADLP CS(=O)(=O)N[C@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647886061 386293604 /nfs/dbraw/zinc/29/36/04/386293604.db2.gz MLQKVQDMEZEIFO-ZJUUUORDSA-N 2 2 247.364 -0.781 20 0 BBADLP Cn1nc2c(cc1=O)C[N@H+](C[C@H]1CC[NH2+]C1)CC2 ZINC000647890125 386367343 /nfs/dbraw/zinc/36/73/43/386367343.db2.gz ROYKCVHHGSFREU-JTQLQIEISA-N 2 2 248.330 -0.252 20 0 BBADLP Cn1nc2c(cc1=O)C[N@@H+](C[C@H]1CC[NH2+]C1)CC2 ZINC000647890125 386367339 /nfs/dbraw/zinc/36/73/39/386367339.db2.gz ROYKCVHHGSFREU-JTQLQIEISA-N 2 2 248.330 -0.252 20 0 BBADLP Cn1nc2c(cc1=O)C[N@H+](C[C@@H]1CC[NH2+]C1)CC2 ZINC000647890126 386367499 /nfs/dbraw/zinc/36/74/99/386367499.db2.gz ROYKCVHHGSFREU-SNVBAGLBSA-N 2 2 248.330 -0.252 20 0 BBADLP Cn1nc2c(cc1=O)C[N@@H+](C[C@@H]1CC[NH2+]C1)CC2 ZINC000647890126 386367492 /nfs/dbraw/zinc/36/74/92/386367492.db2.gz ROYKCVHHGSFREU-SNVBAGLBSA-N 2 2 248.330 -0.252 20 0 BBADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccon1 ZINC000647905641 412146755 /nfs/dbraw/zinc/14/67/55/412146755.db2.gz WTTGIKGETASJIG-BDAKNGLRSA-N 2 2 238.291 0.282 20 0 BBADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccon1 ZINC000647905641 412146750 /nfs/dbraw/zinc/14/67/50/412146750.db2.gz WTTGIKGETASJIG-BDAKNGLRSA-N 2 2 238.291 0.282 20 0 BBADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccon1 ZINC000647905642 412269512 /nfs/dbraw/zinc/26/95/12/412269512.db2.gz WTTGIKGETASJIG-DTWKUNHWSA-N 2 2 238.291 0.282 20 0 BBADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccon1 ZINC000647905642 412269507 /nfs/dbraw/zinc/26/95/07/412269507.db2.gz WTTGIKGETASJIG-DTWKUNHWSA-N 2 2 238.291 0.282 20 0 BBADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccon1 ZINC000647905643 412268946 /nfs/dbraw/zinc/26/89/46/412268946.db2.gz WTTGIKGETASJIG-IUCAKERBSA-N 2 2 238.291 0.282 20 0 BBADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccon1 ZINC000647905643 412268944 /nfs/dbraw/zinc/26/89/44/412268944.db2.gz WTTGIKGETASJIG-IUCAKERBSA-N 2 2 238.291 0.282 20 0 BBADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccon1 ZINC000647905644 412154190 /nfs/dbraw/zinc/15/41/90/412154190.db2.gz WTTGIKGETASJIG-RKDXNWHRSA-N 2 2 238.291 0.282 20 0 BBADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccon1 ZINC000647905644 412154187 /nfs/dbraw/zinc/15/41/87/412154187.db2.gz WTTGIKGETASJIG-RKDXNWHRSA-N 2 2 238.291 0.282 20 0 BBADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000647906557 411824032 /nfs/dbraw/zinc/82/40/32/411824032.db2.gz CUXBTCWIKRVQMC-BDAKNGLRSA-N 2 2 238.291 0.282 20 0 BBADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2ccon2)C1 ZINC000647906557 411824026 /nfs/dbraw/zinc/82/40/26/411824026.db2.gz CUXBTCWIKRVQMC-BDAKNGLRSA-N 2 2 238.291 0.282 20 0 BBADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000647906558 412215994 /nfs/dbraw/zinc/21/59/94/412215994.db2.gz CUXBTCWIKRVQMC-DTWKUNHWSA-N 2 2 238.291 0.282 20 0 BBADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2ccon2)C1 ZINC000647906558 412215992 /nfs/dbraw/zinc/21/59/92/412215992.db2.gz CUXBTCWIKRVQMC-DTWKUNHWSA-N 2 2 238.291 0.282 20 0 BBADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000647906559 412214862 /nfs/dbraw/zinc/21/48/62/412214862.db2.gz CUXBTCWIKRVQMC-IUCAKERBSA-N 2 2 238.291 0.282 20 0 BBADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2ccon2)C1 ZINC000647906559 412214860 /nfs/dbraw/zinc/21/48/60/412214860.db2.gz CUXBTCWIKRVQMC-IUCAKERBSA-N 2 2 238.291 0.282 20 0 BBADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000647906560 411825101 /nfs/dbraw/zinc/82/51/01/411825101.db2.gz CUXBTCWIKRVQMC-RKDXNWHRSA-N 2 2 238.291 0.282 20 0 BBADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2ccon2)C1 ZINC000647906560 411825099 /nfs/dbraw/zinc/82/50/99/411825099.db2.gz CUXBTCWIKRVQMC-RKDXNWHRSA-N 2 2 238.291 0.282 20 0 BBADLP [NH3+]C1(C[NH2+]CC(=O)Nc2ccon2)CCC1 ZINC000647907550 412295843 /nfs/dbraw/zinc/29/58/43/412295843.db2.gz NVOKNCUEFHEKDX-UHFFFAOYSA-N 2 2 224.264 0.084 20 0 BBADLP Cn1ccc(C[N@H+]2CCO[C@H](C[NH3+])C2)cc1=O ZINC000647908729 386783598 /nfs/dbraw/zinc/78/35/98/386783598.db2.gz QCJANNSICABRQT-LLVKDONJSA-N 2 2 237.303 -0.455 20 0 BBADLP Cn1ccc(C[N@@H+]2CCO[C@H](C[NH3+])C2)cc1=O ZINC000647908729 386783591 /nfs/dbraw/zinc/78/35/91/386783591.db2.gz QCJANNSICABRQT-LLVKDONJSA-N 2 2 237.303 -0.455 20 0 BBADLP Cn1ccc(C[N@H+]2CCO[C@@H](C[NH3+])C2)cc1=O ZINC000647908730 386782850 /nfs/dbraw/zinc/78/28/50/386782850.db2.gz QCJANNSICABRQT-NSHDSACASA-N 2 2 237.303 -0.455 20 0 BBADLP Cn1ccc(C[N@@H+]2CCO[C@@H](C[NH3+])C2)cc1=O ZINC000647908730 386782844 /nfs/dbraw/zinc/78/28/44/386782844.db2.gz QCJANNSICABRQT-NSHDSACASA-N 2 2 237.303 -0.455 20 0 BBADLP Nc1cc(CN2CCO[C@@H](C[NH3+])C2)cc[nH+]1 ZINC000647908896 411976789 /nfs/dbraw/zinc/97/67/89/411976789.db2.gz GFIRDMPMKSKGLZ-JTQLQIEISA-N 2 2 222.292 -0.177 20 0 BBADLP Nc1cc(CN2CCO[C@H](C[NH3+])C2)cc[nH+]1 ZINC000647908897 411424618 /nfs/dbraw/zinc/42/46/18/411424618.db2.gz GFIRDMPMKSKGLZ-SNVBAGLBSA-N 2 2 222.292 -0.177 20 0 BBADLP COCCCNC(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000647924790 385958739 /nfs/dbraw/zinc/95/87/39/385958739.db2.gz KNRDIFCEFAOSIJ-UHFFFAOYSA-N 2 2 243.351 -0.048 20 0 BBADLP CCOCCNC(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000647924842 385958902 /nfs/dbraw/zinc/95/89/02/385958902.db2.gz PBKKNCXGQPHYPT-UHFFFAOYSA-N 2 2 243.351 -0.048 20 0 BBADLP CCS(=O)(=O)NCC[NH+]1CCC(C)([NH3+])CC1 ZINC000647924846 385958563 /nfs/dbraw/zinc/95/85/63/385958563.db2.gz PMKDGQJPRHYJKI-UHFFFAOYSA-N 2 2 249.380 -0.261 20 0 BBADLP CC1([NH3+])CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000647927855 386000585 /nfs/dbraw/zinc/00/05/85/386000585.db2.gz PZGBWOLSMUGHQY-UHFFFAOYSA-N 2 2 241.335 -0.342 20 0 BBADLP CC[C@@H]1C[N@@H+](CCNS(C)(=O)=O)CC[C@H]1[NH3+] ZINC000647936636 386542277 /nfs/dbraw/zinc/54/22/77/386542277.db2.gz ITTQWQXUTKKCNR-NXEZZACHSA-N 2 2 249.380 -0.405 20 0 BBADLP CC[C@@H]1C[N@H+](CCNS(C)(=O)=O)CC[C@H]1[NH3+] ZINC000647936636 386542272 /nfs/dbraw/zinc/54/22/72/386542272.db2.gz ITTQWQXUTKKCNR-NXEZZACHSA-N 2 2 249.380 -0.405 20 0 BBADLP CC[C@H]1C[N@@H+](CCNS(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000647936637 386542996 /nfs/dbraw/zinc/54/29/96/386542996.db2.gz ITTQWQXUTKKCNR-UWVGGRQHSA-N 2 2 249.380 -0.405 20 0 BBADLP CC[C@H]1C[N@H+](CCNS(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000647936637 386542992 /nfs/dbraw/zinc/54/29/92/386542992.db2.gz ITTQWQXUTKKCNR-UWVGGRQHSA-N 2 2 249.380 -0.405 20 0 BBADLP CC[C@H]1C[N@@H+](CCNS(C)(=O)=O)CC[C@H]1[NH3+] ZINC000647936638 386542084 /nfs/dbraw/zinc/54/20/84/386542084.db2.gz ITTQWQXUTKKCNR-VHSXEESVSA-N 2 2 249.380 -0.405 20 0 BBADLP CC[C@H]1C[N@H+](CCNS(C)(=O)=O)CC[C@H]1[NH3+] ZINC000647936638 386542080 /nfs/dbraw/zinc/54/20/80/386542080.db2.gz ITTQWQXUTKKCNR-VHSXEESVSA-N 2 2 249.380 -0.405 20 0 BBADLP CC[C@@H]1C[N@@H+](CCNS(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000647936639 386543291 /nfs/dbraw/zinc/54/32/91/386543291.db2.gz ITTQWQXUTKKCNR-ZJUUUORDSA-N 2 2 249.380 -0.405 20 0 BBADLP CC[C@@H]1C[N@H+](CCNS(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000647936639 386543285 /nfs/dbraw/zinc/54/32/85/386543285.db2.gz ITTQWQXUTKKCNR-ZJUUUORDSA-N 2 2 249.380 -0.405 20 0 BBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](CC(N)=O)C(C)C ZINC000647956337 386689434 /nfs/dbraw/zinc/68/94/34/386689434.db2.gz KAJMCMMSVSOXTO-LLVKDONJSA-N 2 2 245.367 -0.117 20 0 BBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](CC(N)=O)C(C)C ZINC000647956337 386689427 /nfs/dbraw/zinc/68/94/27/386689427.db2.gz KAJMCMMSVSOXTO-LLVKDONJSA-N 2 2 245.367 -0.117 20 0 BBADLP CC(C)[NH+](CC(N)=O)C[C@H](O)C[N@H+](C)C(C)C ZINC000647956337 386689419 /nfs/dbraw/zinc/68/94/19/386689419.db2.gz KAJMCMMSVSOXTO-LLVKDONJSA-N 2 2 245.367 -0.117 20 0 BBADLP CC(C)[NH+](CC(N)=O)C[C@H](O)C[N@@H+](C)C(C)C ZINC000647956337 386689416 /nfs/dbraw/zinc/68/94/16/386689416.db2.gz KAJMCMMSVSOXTO-LLVKDONJSA-N 2 2 245.367 -0.117 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](CC(N)=O)C(C)C ZINC000647956338 386688204 /nfs/dbraw/zinc/68/82/04/386688204.db2.gz KAJMCMMSVSOXTO-NSHDSACASA-N 2 2 245.367 -0.117 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](CC(N)=O)C(C)C ZINC000647956338 386688196 /nfs/dbraw/zinc/68/81/96/386688196.db2.gz KAJMCMMSVSOXTO-NSHDSACASA-N 2 2 245.367 -0.117 20 0 BBADLP CC(C)[NH+](CC(N)=O)C[C@@H](O)C[N@H+](C)C(C)C ZINC000647956338 386688187 /nfs/dbraw/zinc/68/81/87/386688187.db2.gz KAJMCMMSVSOXTO-NSHDSACASA-N 2 2 245.367 -0.117 20 0 BBADLP CC(C)[NH+](CC(N)=O)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000647956338 386688181 /nfs/dbraw/zinc/68/81/81/386688181.db2.gz KAJMCMMSVSOXTO-NSHDSACASA-N 2 2 245.367 -0.117 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1C(=O)NC ZINC000647960979 386730443 /nfs/dbraw/zinc/73/04/43/386730443.db2.gz WUYSUZALHRYOTH-GHMZBOCLSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1C(=O)NC ZINC000647960979 386730437 /nfs/dbraw/zinc/73/04/37/386730437.db2.gz WUYSUZALHRYOTH-GHMZBOCLSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C(=O)NC ZINC000647960979 386730429 /nfs/dbraw/zinc/73/04/29/386730429.db2.gz WUYSUZALHRYOTH-GHMZBOCLSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C(=O)NC ZINC000647960979 386730424 /nfs/dbraw/zinc/73/04/24/386730424.db2.gz WUYSUZALHRYOTH-GHMZBOCLSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1C(=O)NC ZINC000647960980 386730404 /nfs/dbraw/zinc/73/04/04/386730404.db2.gz WUYSUZALHRYOTH-MNOVXSKESA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1C(=O)NC ZINC000647960980 386730400 /nfs/dbraw/zinc/73/04/00/386730400.db2.gz WUYSUZALHRYOTH-MNOVXSKESA-N 2 2 243.351 -0.491 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C(=O)NC ZINC000647960980 386730396 /nfs/dbraw/zinc/73/03/96/386730396.db2.gz WUYSUZALHRYOTH-MNOVXSKESA-N 2 2 243.351 -0.491 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C(=O)NC ZINC000647960980 386730391 /nfs/dbraw/zinc/73/03/91/386730391.db2.gz WUYSUZALHRYOTH-MNOVXSKESA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1C(=O)NC ZINC000647960981 386730020 /nfs/dbraw/zinc/73/00/20/386730020.db2.gz WUYSUZALHRYOTH-QWRGUYRKSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1C(=O)NC ZINC000647960981 386730015 /nfs/dbraw/zinc/73/00/15/386730015.db2.gz WUYSUZALHRYOTH-QWRGUYRKSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C(=O)NC ZINC000647960981 386730013 /nfs/dbraw/zinc/73/00/13/386730013.db2.gz WUYSUZALHRYOTH-QWRGUYRKSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C(=O)NC ZINC000647960981 386730009 /nfs/dbraw/zinc/73/00/09/386730009.db2.gz WUYSUZALHRYOTH-QWRGUYRKSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1C(=O)NC ZINC000647960982 386730825 /nfs/dbraw/zinc/73/08/25/386730825.db2.gz WUYSUZALHRYOTH-WDEREUQCSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1C(=O)NC ZINC000647960982 386730822 /nfs/dbraw/zinc/73/08/22/386730822.db2.gz WUYSUZALHRYOTH-WDEREUQCSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C(=O)NC ZINC000647960982 386730816 /nfs/dbraw/zinc/73/08/16/386730816.db2.gz WUYSUZALHRYOTH-WDEREUQCSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C(=O)NC ZINC000647960982 386730814 /nfs/dbraw/zinc/73/08/14/386730814.db2.gz WUYSUZALHRYOTH-WDEREUQCSA-N 2 2 243.351 -0.491 20 0 BBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000647971737 386510994 /nfs/dbraw/zinc/51/09/94/386510994.db2.gz VINHKIMBEVZPCQ-SDDRHHMPSA-N 2 2 246.351 -0.885 20 0 BBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000647971737 386510991 /nfs/dbraw/zinc/51/09/91/386510991.db2.gz VINHKIMBEVZPCQ-SDDRHHMPSA-N 2 2 246.351 -0.885 20 0 BBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)C[C@H]1CO ZINC000647971737 386510987 /nfs/dbraw/zinc/51/09/87/386510987.db2.gz VINHKIMBEVZPCQ-SDDRHHMPSA-N 2 2 246.351 -0.885 20 0 BBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)C[C@H]1CO ZINC000647971737 386510984 /nfs/dbraw/zinc/51/09/84/386510984.db2.gz VINHKIMBEVZPCQ-SDDRHHMPSA-N 2 2 246.351 -0.885 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000647971738 386510209 /nfs/dbraw/zinc/51/02/09/386510209.db2.gz VINHKIMBEVZPCQ-SRVKXCTJSA-N 2 2 246.351 -0.885 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000647971738 386510206 /nfs/dbraw/zinc/51/02/06/386510206.db2.gz VINHKIMBEVZPCQ-SRVKXCTJSA-N 2 2 246.351 -0.885 20 0 BBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@H]1CO ZINC000647971738 386510203 /nfs/dbraw/zinc/51/02/03/386510203.db2.gz VINHKIMBEVZPCQ-SRVKXCTJSA-N 2 2 246.351 -0.885 20 0 BBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@H]1CO ZINC000647971738 386510198 /nfs/dbraw/zinc/51/01/98/386510198.db2.gz VINHKIMBEVZPCQ-SRVKXCTJSA-N 2 2 246.351 -0.885 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000647971739 386510520 /nfs/dbraw/zinc/51/05/20/386510520.db2.gz VINHKIMBEVZPCQ-TUAOUCFPSA-N 2 2 246.351 -0.885 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000647971739 386510518 /nfs/dbraw/zinc/51/05/18/386510518.db2.gz VINHKIMBEVZPCQ-TUAOUCFPSA-N 2 2 246.351 -0.885 20 0 BBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@H]1CO ZINC000647971739 386510516 /nfs/dbraw/zinc/51/05/16/386510516.db2.gz VINHKIMBEVZPCQ-TUAOUCFPSA-N 2 2 246.351 -0.885 20 0 BBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@H]1CO ZINC000647971739 386510513 /nfs/dbraw/zinc/51/05/13/386510513.db2.gz VINHKIMBEVZPCQ-TUAOUCFPSA-N 2 2 246.351 -0.885 20 0 BBADLP O=C1NCC[C@@H]1[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000647973941 386544075 /nfs/dbraw/zinc/54/40/75/386544075.db2.gz BPWXDKMWCBVGCK-AEJSXWLSSA-N 2 2 209.293 -0.441 20 0 BBADLP O=C1NCC[C@@H]1[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000647973941 386544070 /nfs/dbraw/zinc/54/40/70/386544070.db2.gz BPWXDKMWCBVGCK-AEJSXWLSSA-N 2 2 209.293 -0.441 20 0 BBADLP O=C1NCC[C@@H]1[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000647973942 386544594 /nfs/dbraw/zinc/54/45/94/386544594.db2.gz BPWXDKMWCBVGCK-BBBLOLIVSA-N 2 2 209.293 -0.441 20 0 BBADLP O=C1NCC[C@@H]1[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000647973942 386544589 /nfs/dbraw/zinc/54/45/89/386544589.db2.gz BPWXDKMWCBVGCK-BBBLOLIVSA-N 2 2 209.293 -0.441 20 0 BBADLP O=C1NCC[C@@H]1[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000647973943 386543157 /nfs/dbraw/zinc/54/31/57/386543157.db2.gz BPWXDKMWCBVGCK-GUBZILKMSA-N 2 2 209.293 -0.441 20 0 BBADLP O=C1NCC[C@@H]1[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000647973943 386543154 /nfs/dbraw/zinc/54/31/54/386543154.db2.gz BPWXDKMWCBVGCK-GUBZILKMSA-N 2 2 209.293 -0.441 20 0 BBADLP O=C1NCC[C@@H]1[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000647973944 386543527 /nfs/dbraw/zinc/54/35/27/386543527.db2.gz BPWXDKMWCBVGCK-UTLUCORTSA-N 2 2 209.293 -0.441 20 0 BBADLP O=C1NCC[C@@H]1[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000647973944 386543524 /nfs/dbraw/zinc/54/35/24/386543524.db2.gz BPWXDKMWCBVGCK-UTLUCORTSA-N 2 2 209.293 -0.441 20 0 BBADLP C(C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)N1CC[NH2+]CC1 ZINC000647987585 386276468 /nfs/dbraw/zinc/27/64/68/386276468.db2.gz GRNRIFWLPUSTJR-CHWSQXEVSA-N 3 2 238.379 -0.425 20 0 BBADLP C(C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)N1CC[NH2+]CC1 ZINC000647987585 386276463 /nfs/dbraw/zinc/27/64/63/386276463.db2.gz GRNRIFWLPUSTJR-CHWSQXEVSA-N 3 2 238.379 -0.425 20 0 BBADLP C(C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1)N1CC[NH2+]CC1 ZINC000647987586 386274532 /nfs/dbraw/zinc/27/45/32/386274532.db2.gz GRNRIFWLPUSTJR-OLZOCXBDSA-N 3 2 238.379 -0.425 20 0 BBADLP C(C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1)N1CC[NH2+]CC1 ZINC000647987586 386274527 /nfs/dbraw/zinc/27/45/27/386274527.db2.gz GRNRIFWLPUSTJR-OLZOCXBDSA-N 3 2 238.379 -0.425 20 0 BBADLP C(C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CC[NH2+]CC1 ZINC000647987587 386276544 /nfs/dbraw/zinc/27/65/44/386276544.db2.gz GRNRIFWLPUSTJR-QWHCGFSZSA-N 3 2 238.379 -0.425 20 0 BBADLP C(C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CC[NH2+]CC1 ZINC000647987587 386276540 /nfs/dbraw/zinc/27/65/40/386276540.db2.gz GRNRIFWLPUSTJR-QWHCGFSZSA-N 3 2 238.379 -0.425 20 0 BBADLP C(C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)N1CC[NH2+]CC1 ZINC000647987588 386275903 /nfs/dbraw/zinc/27/59/03/386275903.db2.gz GRNRIFWLPUSTJR-STQMWFEESA-N 3 2 238.379 -0.425 20 0 BBADLP C(C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)N1CC[NH2+]CC1 ZINC000647987588 386275898 /nfs/dbraw/zinc/27/58/98/386275898.db2.gz GRNRIFWLPUSTJR-STQMWFEESA-N 3 2 238.379 -0.425 20 0 BBADLP C[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC000647987772 386278681 /nfs/dbraw/zinc/27/86/81/386278681.db2.gz YRKNLSNQKNQCKK-GHMZBOCLSA-N 3 2 212.341 -0.829 20 0 BBADLP C[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC000647987772 386278674 /nfs/dbraw/zinc/27/86/74/386278674.db2.gz YRKNLSNQKNQCKK-GHMZBOCLSA-N 3 2 212.341 -0.829 20 0 BBADLP [NH3+]CCOCC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647987776 386278886 /nfs/dbraw/zinc/27/88/86/386278886.db2.gz YRNYWHAGBHZFLM-GHMZBOCLSA-N 3 2 213.325 -0.355 20 0 BBADLP [NH3+]CCOCC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647987776 386278882 /nfs/dbraw/zinc/27/88/82/386278882.db2.gz YRNYWHAGBHZFLM-GHMZBOCLSA-N 3 2 213.325 -0.355 20 0 BBADLP [NH3+]CCOCC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647987777 386277791 /nfs/dbraw/zinc/27/77/91/386277791.db2.gz YRNYWHAGBHZFLM-MNOVXSKESA-N 3 2 213.325 -0.355 20 0 BBADLP [NH3+]CCOCC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647987777 386277786 /nfs/dbraw/zinc/27/77/86/386277786.db2.gz YRNYWHAGBHZFLM-MNOVXSKESA-N 3 2 213.325 -0.355 20 0 BBADLP [NH3+]CCOCC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647987778 386277596 /nfs/dbraw/zinc/27/75/96/386277596.db2.gz YRNYWHAGBHZFLM-QWRGUYRKSA-N 3 2 213.325 -0.355 20 0 BBADLP [NH3+]CCOCC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647987778 386277591 /nfs/dbraw/zinc/27/75/91/386277591.db2.gz YRNYWHAGBHZFLM-QWRGUYRKSA-N 3 2 213.325 -0.355 20 0 BBADLP [NH3+]CCOCC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647987779 583580379 /nfs/dbraw/zinc/58/03/79/583580379.db2.gz YRNYWHAGBHZFLM-WDEREUQCSA-N 3 2 213.325 -0.355 20 0 BBADLP [NH3+]CCOCC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647987779 583580378 /nfs/dbraw/zinc/58/03/78/583580378.db2.gz YRNYWHAGBHZFLM-WDEREUQCSA-N 3 2 213.325 -0.355 20 0 BBADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCN1CC[NH2+]CC1 ZINC000647988012 386294198 /nfs/dbraw/zinc/29/41/98/386294198.db2.gz FSHDMFULXDGJJO-QWRGUYRKSA-N 3 2 212.341 -0.687 20 0 BBADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000647988012 386294194 /nfs/dbraw/zinc/29/41/94/386294194.db2.gz FSHDMFULXDGJJO-QWRGUYRKSA-N 3 2 212.341 -0.687 20 0 BBADLP CNC(=O)[C@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000647990352 583582127 /nfs/dbraw/zinc/58/21/27/583582127.db2.gz PCNKEISJBXICIO-NXEZZACHSA-N 2 2 227.308 -0.957 20 0 BBADLP CNC(=O)[C@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000647990352 583582126 /nfs/dbraw/zinc/58/21/26/583582126.db2.gz PCNKEISJBXICIO-NXEZZACHSA-N 2 2 227.308 -0.957 20 0 BBADLP CNC(=O)[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000647990353 583582359 /nfs/dbraw/zinc/58/23/59/583582359.db2.gz PCNKEISJBXICIO-UWVGGRQHSA-N 2 2 227.308 -0.957 20 0 BBADLP CNC(=O)[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000647990353 583582358 /nfs/dbraw/zinc/58/23/58/583582358.db2.gz 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AJXHYOMQFRNLCN-UHFFFAOYSA-N 2 2 239.323 -0.052 20 0 BBADLP C[N@@H+](CCC[NH3+])CC(=O)NCc1cccnc1 ZINC000649410191 398209350 /nfs/dbraw/zinc/20/93/50/398209350.db2.gz XQDZIKCFOXZWQE-UHFFFAOYSA-N 2 2 236.319 -0.022 20 0 BBADLP C[N@H+](CCC[NH3+])CC(=O)NCc1cccnc1 ZINC000649410191 398209346 /nfs/dbraw/zinc/20/93/46/398209346.db2.gz XQDZIKCFOXZWQE-UHFFFAOYSA-N 2 2 236.319 -0.022 20 0 BBADLP C[NH2+]C[C@@H]1C[C@H](F)CN1CC[NH+]1CCOCC1 ZINC000649417378 398217730 /nfs/dbraw/zinc/21/77/30/398217730.db2.gz HLBYMLNRABYLMI-RYUDHWBXSA-N 2 2 245.342 -0.050 20 0 BBADLP C[C@@]1(F)C[NH2+]CCN(CC[NH+]2CCOCC2)C1 ZINC000649418165 398219437 /nfs/dbraw/zinc/21/94/37/398219437.db2.gz AFWUXYGTANKPNV-GFCCVEGCSA-N 2 2 245.342 -0.048 20 0 BBADLP C[C@]1(F)C[NH2+]CCN(CC[NH+]2CCOCC2)C1 ZINC000649418166 398219452 /nfs/dbraw/zinc/21/94/52/398219452.db2.gz AFWUXYGTANKPNV-LBPRGKRZSA-N 2 2 245.342 -0.048 20 0 BBADLP C[C@@H](O)CC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684740 398035700 /nfs/dbraw/zinc/03/57/00/398035700.db2.gz AEQPWDKUMUTXRM-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP C[C@@H](O)CC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684740 398035699 /nfs/dbraw/zinc/03/56/99/398035699.db2.gz AEQPWDKUMUTXRM-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP C[C@H](O)CC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684741 398035657 /nfs/dbraw/zinc/03/56/57/398035657.db2.gz AEQPWDKUMUTXRM-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP C[C@H](O)CC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684741 398035653 /nfs/dbraw/zinc/03/56/53/398035653.db2.gz AEQPWDKUMUTXRM-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP CC[C@@H](O)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684816 398035489 /nfs/dbraw/zinc/03/54/89/398035489.db2.gz DAAROFDVRNTGIW-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP CC[C@@H](O)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684816 398035486 /nfs/dbraw/zinc/03/54/86/398035486.db2.gz DAAROFDVRNTGIW-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP CC[C@H](O)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684817 398035468 /nfs/dbraw/zinc/03/54/68/398035468.db2.gz DAAROFDVRNTGIW-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP CC[C@H](O)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684817 398035463 /nfs/dbraw/zinc/03/54/63/398035463.db2.gz DAAROFDVRNTGIW-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP CO[C@H](C)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685110 398035671 /nfs/dbraw/zinc/03/56/71/398035671.db2.gz OPGROGSUIMUAOY-LLVKDONJSA-N 2 2 243.351 -0.273 20 0 BBADLP CO[C@H](C)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685110 398035668 /nfs/dbraw/zinc/03/56/68/398035668.db2.gz OPGROGSUIMUAOY-LLVKDONJSA-N 2 2 243.351 -0.273 20 0 BBADLP CO[C@@H](C)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685111 398035515 /nfs/dbraw/zinc/03/55/15/398035515.db2.gz OPGROGSUIMUAOY-NSHDSACASA-N 2 2 243.351 -0.273 20 0 BBADLP CO[C@@H](C)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685111 398035512 /nfs/dbraw/zinc/03/55/12/398035512.db2.gz OPGROGSUIMUAOY-NSHDSACASA-N 2 2 243.351 -0.273 20 0 BBADLP CCOCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685133 398035584 /nfs/dbraw/zinc/03/55/84/398035584.db2.gz PPUUFZIFVMETTR-UHFFFAOYSA-N 2 2 243.351 -0.271 20 0 BBADLP CCOCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685133 398035579 /nfs/dbraw/zinc/03/55/79/398035579.db2.gz PPUUFZIFVMETTR-UHFFFAOYSA-N 2 2 243.351 -0.271 20 0 BBADLP C[C@H](O)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685186 398035549 /nfs/dbraw/zinc/03/55/49/398035549.db2.gz RIEIHVSLSYIOAI-JTQLQIEISA-N 2 2 229.324 -0.927 20 0 BBADLP C[C@H](O)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685186 398035545 /nfs/dbraw/zinc/03/55/45/398035545.db2.gz RIEIHVSLSYIOAI-JTQLQIEISA-N 2 2 229.324 -0.927 20 0 BBADLP C[C@@H](O)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685187 398035614 /nfs/dbraw/zinc/03/56/14/398035614.db2.gz RIEIHVSLSYIOAI-SNVBAGLBSA-N 2 2 229.324 -0.927 20 0 BBADLP C[C@@H](O)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685187 398035612 /nfs/dbraw/zinc/03/56/12/398035612.db2.gz RIEIHVSLSYIOAI-SNVBAGLBSA-N 2 2 229.324 -0.927 20 0 BBADLP C[C@@H](CO)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685606 491090585 /nfs/dbraw/zinc/09/05/85/491090585.db2.gz GKAGRMKBWODPFT-LLVKDONJSA-N 2 2 243.351 -0.679 20 0 BBADLP C[C@H](CO)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685607 491090521 /nfs/dbraw/zinc/09/05/21/491090521.db2.gz GKAGRMKBWODPFT-NSHDSACASA-N 2 2 243.351 -0.679 20 0 BBADLP COCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685792 491090546 /nfs/dbraw/zinc/09/05/46/491090546.db2.gz MMMTWVVMLGIKOJ-UHFFFAOYSA-N 2 2 229.324 -0.661 20 0 BBADLP COCCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685974 491090538 /nfs/dbraw/zinc/09/05/38/491090538.db2.gz UJDDXIOUJNLBDM-UHFFFAOYSA-N 2 2 243.351 -0.271 20 0 BBADLP COC[C@@H](C)[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687139 398036606 /nfs/dbraw/zinc/03/66/06/398036606.db2.gz KJKRVTGMNNJXCK-LLVKDONJSA-N 2 2 243.351 -0.273 20 0 BBADLP COC[C@@H](C)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687139 398036604 /nfs/dbraw/zinc/03/66/04/398036604.db2.gz KJKRVTGMNNJXCK-LLVKDONJSA-N 2 2 243.351 -0.273 20 0 BBADLP COC[C@H](C)[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687140 398036676 /nfs/dbraw/zinc/03/66/76/398036676.db2.gz KJKRVTGMNNJXCK-NSHDSACASA-N 2 2 243.351 -0.273 20 0 BBADLP COC[C@H](C)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687140 398036674 /nfs/dbraw/zinc/03/66/74/398036674.db2.gz KJKRVTGMNNJXCK-NSHDSACASA-N 2 2 243.351 -0.273 20 0 BBADLP C[NH+](C)CCN1CC[N@@H+](CCCCO)CC1=O ZINC000649688067 398036578 /nfs/dbraw/zinc/03/65/78/398036578.db2.gz PWDGNTJZTHRORH-UHFFFAOYSA-N 2 2 243.351 -0.535 20 0 BBADLP C[NH+](C)CCN1CC[N@H+](CCCCO)CC1=O ZINC000649688067 398036575 /nfs/dbraw/zinc/03/65/75/398036575.db2.gz PWDGNTJZTHRORH-UHFFFAOYSA-N 2 2 243.351 -0.535 20 0 BBADLP C[NH+](C)CCN1CC[N@@H+](CCCO)CC1=O ZINC000649688083 398036173 /nfs/dbraw/zinc/03/61/73/398036173.db2.gz QNUBAECKPRDRIH-UHFFFAOYSA-N 2 2 229.324 -0.925 20 0 BBADLP C[NH+](C)CCN1CC[N@H+](CCCO)CC1=O ZINC000649688083 398036169 /nfs/dbraw/zinc/03/61/69/398036169.db2.gz QNUBAECKPRDRIH-UHFFFAOYSA-N 2 2 229.324 -0.925 20 0 BBADLP COC[C@@H]1C[C@@H](O)C[N@H+]1CCn1cc[nH+]c1 ZINC000649744344 398081372 /nfs/dbraw/zinc/08/13/72/398081372.db2.gz WQGQSLFLAZZKID-WDEREUQCSA-N 2 2 225.292 -0.035 20 0 BBADLP COC[C@@H]1C[C@@H](O)C[N@@H+]1CCn1cc[nH+]c1 ZINC000649744344 398081371 /nfs/dbraw/zinc/08/13/71/398081371.db2.gz WQGQSLFLAZZKID-WDEREUQCSA-N 2 2 225.292 -0.035 20 0 BBADLP COC[C@H]1C[C@@H](O)C[N@H+]1CCn1cc[nH+]c1 ZINC000649764223 398091472 /nfs/dbraw/zinc/09/14/72/398091472.db2.gz WQGQSLFLAZZKID-GHMZBOCLSA-N 2 2 225.292 -0.035 20 0 BBADLP C[C@H](CCO)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000649866054 398148688 /nfs/dbraw/zinc/14/86/88/398148688.db2.gz KNWCVJUVLQIZMS-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP C[C@H](CCO)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000649866054 398148686 /nfs/dbraw/zinc/14/86/86/398148686.db2.gz KNWCVJUVLQIZMS-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP C[C@@H](CCO)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000649866055 398149259 /nfs/dbraw/zinc/14/92/59/398149259.db2.gz KNWCVJUVLQIZMS-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP C[C@@H](CCO)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000649866055 398149257 /nfs/dbraw/zinc/14/92/57/398149257.db2.gz KNWCVJUVLQIZMS-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000650743126 410377743 /nfs/dbraw/zinc/37/77/43/410377743.db2.gz MKKNDCIOZKJKOQ-CHWFTXMASA-N 2 2 241.335 -0.393 20 0 BBADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000650743127 410377672 /nfs/dbraw/zinc/37/76/72/410377672.db2.gz MKKNDCIOZKJKOQ-MMWGEVLESA-N 2 2 241.335 -0.393 20 0 BBADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000650743128 410377590 /nfs/dbraw/zinc/37/75/90/410377590.db2.gz MKKNDCIOZKJKOQ-UKKRHICBSA-N 2 2 241.335 -0.393 20 0 BBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000650743129 410377427 /nfs/dbraw/zinc/37/74/27/410377427.db2.gz MKKNDCIOZKJKOQ-ZNSHCXBVSA-N 2 2 241.335 -0.393 20 0 BBADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000651939350 411153473 /nfs/dbraw/zinc/15/34/73/411153473.db2.gz BZJUDWHTCWNMHI-AXTSPUMRSA-N 2 2 211.309 -0.210 20 0 BBADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000651939350 411153469 /nfs/dbraw/zinc/15/34/69/411153469.db2.gz BZJUDWHTCWNMHI-AXTSPUMRSA-N 2 2 211.309 -0.210 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000651939351 411154227 /nfs/dbraw/zinc/15/42/27/411154227.db2.gz BZJUDWHTCWNMHI-DOLQZWNJSA-N 2 2 211.309 -0.210 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000651939351 411154224 /nfs/dbraw/zinc/15/42/24/411154224.db2.gz BZJUDWHTCWNMHI-DOLQZWNJSA-N 2 2 211.309 -0.210 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000651939352 411154270 /nfs/dbraw/zinc/15/42/70/411154270.db2.gz BZJUDWHTCWNMHI-IMSYWVGJSA-N 2 2 211.309 -0.210 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000651939352 411154267 /nfs/dbraw/zinc/15/42/67/411154267.db2.gz BZJUDWHTCWNMHI-IMSYWVGJSA-N 2 2 211.309 -0.210 20 0 BBADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000651939353 411153641 /nfs/dbraw/zinc/15/36/41/411153641.db2.gz BZJUDWHTCWNMHI-QEYWKRMJSA-N 2 2 211.309 -0.210 20 0 BBADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000651939353 411153637 /nfs/dbraw/zinc/15/36/37/411153637.db2.gz BZJUDWHTCWNMHI-QEYWKRMJSA-N 2 2 211.309 -0.210 20 0 BBADLP Cn1cc[nH+]c1CN1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651978297 410026127 /nfs/dbraw/zinc/02/61/27/410026127.db2.gz CUQGIEDYRSCLHE-LLVKDONJSA-N 2 2 236.319 -0.329 20 0 BBADLP Cn1cc[nH+]c1CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651978297 410026122 /nfs/dbraw/zinc/02/61/22/410026122.db2.gz CUQGIEDYRSCLHE-LLVKDONJSA-N 2 2 236.319 -0.329 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CC(=O)N1CCCC1 ZINC000652336814 411203866 /nfs/dbraw/zinc/20/38/66/411203866.db2.gz DNEQKZDZMWMNBH-GFCCVEGCSA-N 2 2 243.351 -0.489 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)CC(=O)N1CCCC1 ZINC000652336814 411203865 /nfs/dbraw/zinc/20/38/65/411203865.db2.gz DNEQKZDZMWMNBH-GFCCVEGCSA-N 2 2 243.351 -0.489 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)CC(=O)N1CCCC1 ZINC000652336815 411204349 /nfs/dbraw/zinc/20/43/49/411204349.db2.gz DNEQKZDZMWMNBH-LBPRGKRZSA-N 2 2 243.351 -0.489 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+](C)CC(=O)N1CCCC1 ZINC000652336815 411204346 /nfs/dbraw/zinc/20/43/46/411204346.db2.gz DNEQKZDZMWMNBH-LBPRGKRZSA-N 2 2 243.351 -0.489 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCO[C@H](C)C1 ZINC000652336943 411205086 /nfs/dbraw/zinc/20/50/86/411205086.db2.gz SCFLGHRGQISAEB-NXEZZACHSA-N 2 2 202.298 -0.323 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCO[C@H](C)C1 ZINC000652336943 411205083 /nfs/dbraw/zinc/20/50/83/411205083.db2.gz SCFLGHRGQISAEB-NXEZZACHSA-N 2 2 202.298 -0.323 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCO[C@@H](C)C1 ZINC000652336944 411204292 /nfs/dbraw/zinc/20/42/92/411204292.db2.gz SCFLGHRGQISAEB-UWVGGRQHSA-N 2 2 202.298 -0.323 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCO[C@@H](C)C1 ZINC000652336944 411204289 /nfs/dbraw/zinc/20/42/89/411204289.db2.gz SCFLGHRGQISAEB-UWVGGRQHSA-N 2 2 202.298 -0.323 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCO[C@@H](C)C1 ZINC000652336945 411204286 /nfs/dbraw/zinc/20/42/86/411204286.db2.gz SCFLGHRGQISAEB-VHSXEESVSA-N 2 2 202.298 -0.323 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCO[C@@H](C)C1 ZINC000652336945 411204285 /nfs/dbraw/zinc/20/42/85/411204285.db2.gz SCFLGHRGQISAEB-VHSXEESVSA-N 2 2 202.298 -0.323 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCO[C@H](C)C1 ZINC000652336946 411204161 /nfs/dbraw/zinc/20/41/61/411204161.db2.gz SCFLGHRGQISAEB-ZJUUUORDSA-N 2 2 202.298 -0.323 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCO[C@H](C)C1 ZINC000652336946 411204159 /nfs/dbraw/zinc/20/41/59/411204159.db2.gz SCFLGHRGQISAEB-ZJUUUORDSA-N 2 2 202.298 -0.323 20 0 BBADLP CC[N@@H+](CC(=O)N(C)C)C[C@](C)(O)C[NH2+]C ZINC000652337155 411204315 /nfs/dbraw/zinc/20/43/15/411204315.db2.gz OAKHUWPWHUQGCY-LLVKDONJSA-N 2 2 231.340 -0.633 20 0 BBADLP CC[N@H+](CC(=O)N(C)C)C[C@](C)(O)C[NH2+]C ZINC000652337155 411204313 /nfs/dbraw/zinc/20/43/13/411204313.db2.gz OAKHUWPWHUQGCY-LLVKDONJSA-N 2 2 231.340 -0.633 20 0 BBADLP CC[N@@H+](CC(=O)N(C)C)C[C@@](C)(O)C[NH2+]C ZINC000652337156 411205075 /nfs/dbraw/zinc/20/50/75/411205075.db2.gz OAKHUWPWHUQGCY-NSHDSACASA-N 2 2 231.340 -0.633 20 0 BBADLP CC[N@H+](CC(=O)N(C)C)C[C@@](C)(O)C[NH2+]C ZINC000652337156 411205071 /nfs/dbraw/zinc/20/50/71/411205071.db2.gz OAKHUWPWHUQGCY-NSHDSACASA-N 2 2 231.340 -0.633 20 0 BBADLP CCNC(=O)C[N@@H+](C)C[C@@](C)(O)C[NH2+]C ZINC000652337201 411205048 /nfs/dbraw/zinc/20/50/48/411205048.db2.gz SCBUZZIWCIOHGK-JTQLQIEISA-N 2 2 217.313 -0.975 20 0 BBADLP CCNC(=O)C[N@H+](C)C[C@@](C)(O)C[NH2+]C ZINC000652337201 411205044 /nfs/dbraw/zinc/20/50/44/411205044.db2.gz SCBUZZIWCIOHGK-JTQLQIEISA-N 2 2 217.313 -0.975 20 0 BBADLP CCNC(=O)C[N@@H+](C)C[C@](C)(O)C[NH2+]C ZINC000652337202 411204063 /nfs/dbraw/zinc/20/40/63/411204063.db2.gz SCBUZZIWCIOHGK-SNVBAGLBSA-N 2 2 217.313 -0.975 20 0 BBADLP CCNC(=O)C[N@H+](C)C[C@](C)(O)C[NH2+]C ZINC000652337202 411204061 /nfs/dbraw/zinc/20/40/61/411204061.db2.gz SCBUZZIWCIOHGK-SNVBAGLBSA-N 2 2 217.313 -0.975 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000652338171 411203917 /nfs/dbraw/zinc/20/39/17/411203917.db2.gz HIFFZIQWSKWCGP-AXFHLTTASA-N 2 2 214.309 -0.180 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000652338171 411203916 /nfs/dbraw/zinc/20/39/16/411203916.db2.gz HIFFZIQWSKWCGP-AXFHLTTASA-N 2 2 214.309 -0.180 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000652338172 411204333 /nfs/dbraw/zinc/20/43/33/411204333.db2.gz HIFFZIQWSKWCGP-OUAUKWLOSA-N 2 2 214.309 -0.180 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000652338172 411204330 /nfs/dbraw/zinc/20/43/30/411204330.db2.gz HIFFZIQWSKWCGP-OUAUKWLOSA-N 2 2 214.309 -0.180 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1cn[nH]c1 ZINC000652339476 411205990 /nfs/dbraw/zinc/20/59/90/411205990.db2.gz XLTVSSYQURATQJ-JTQLQIEISA-N 2 2 212.297 -0.188 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1cn[nH]c1 ZINC000652339476 411205988 /nfs/dbraw/zinc/20/59/88/411205988.db2.gz XLTVSSYQURATQJ-JTQLQIEISA-N 2 2 212.297 -0.188 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1cn[nH]c1 ZINC000652339477 411205655 /nfs/dbraw/zinc/20/56/55/411205655.db2.gz XLTVSSYQURATQJ-SNVBAGLBSA-N 2 2 212.297 -0.188 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1cn[nH]c1 ZINC000652339477 411205651 /nfs/dbraw/zinc/20/56/51/411205651.db2.gz XLTVSSYQURATQJ-SNVBAGLBSA-N 2 2 212.297 -0.188 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000652340723 411205479 /nfs/dbraw/zinc/20/54/79/411205479.db2.gz HFIMVZGPQKFLPQ-LLVKDONJSA-N 3 2 215.341 -0.230 20 0 BBADLP C[NH2+]C[C@](C)(O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000652340724 411205419 /nfs/dbraw/zinc/20/54/19/411205419.db2.gz HFIMVZGPQKFLPQ-NSHDSACASA-N 3 2 215.341 -0.230 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000652341467 411206489 /nfs/dbraw/zinc/20/64/89/411206489.db2.gz SVPKBGHXJHAXIL-LLVKDONJSA-N 2 2 246.355 -0.840 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)CCNC(=O)N(C)C ZINC000652341467 411206487 /nfs/dbraw/zinc/20/64/87/411206487.db2.gz SVPKBGHXJHAXIL-LLVKDONJSA-N 2 2 246.355 -0.840 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000652341468 411207091 /nfs/dbraw/zinc/20/70/91/411207091.db2.gz SVPKBGHXJHAXIL-NSHDSACASA-N 2 2 246.355 -0.840 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+](C)CCNC(=O)N(C)C ZINC000652341468 411207090 /nfs/dbraw/zinc/20/70/90/411207090.db2.gz SVPKBGHXJHAXIL-NSHDSACASA-N 2 2 246.355 -0.840 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)CCNC(C)=O ZINC000652341695 411207110 /nfs/dbraw/zinc/20/71/10/411207110.db2.gz JKVFPLWWCOLRAS-JTQLQIEISA-N 2 2 217.313 -0.975 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+](C)CCNC(C)=O ZINC000652341695 411207109 /nfs/dbraw/zinc/20/71/09/411207109.db2.gz JKVFPLWWCOLRAS-JTQLQIEISA-N 2 2 217.313 -0.975 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CCNC(C)=O ZINC000652341696 411206970 /nfs/dbraw/zinc/20/69/70/411206970.db2.gz JKVFPLWWCOLRAS-SNVBAGLBSA-N 2 2 217.313 -0.975 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)CCNC(C)=O ZINC000652341696 411206969 /nfs/dbraw/zinc/20/69/69/411206969.db2.gz JKVFPLWWCOLRAS-SNVBAGLBSA-N 2 2 217.313 -0.975 20 0 BBADLP Cn1nnnc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352637 487929990 /nfs/dbraw/zinc/92/99/90/487929990.db2.gz HDDRTGXRGWEALI-ONGXEEELSA-N 2 2 236.323 -0.229 20 0 BBADLP Cn1nnnc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352637 487929985 /nfs/dbraw/zinc/92/99/85/487929985.db2.gz HDDRTGXRGWEALI-ONGXEEELSA-N 2 2 236.323 -0.229 20 0 BBADLP [NH3+]CC[NH+]1CCC(Cn2cnnc2)CC1 ZINC000652353643 411212268 /nfs/dbraw/zinc/21/22/68/411212268.db2.gz XMXAWAWHCGWDQN-UHFFFAOYSA-N 2 2 209.297 -0.051 20 0 BBADLP CCO[C@@H]1C[N@@H+](C[C@](C)(O)C[NH2+]C)C[C@H]1C[NH3+] ZINC000652356259 411214661 /nfs/dbraw/zinc/21/46/61/411214661.db2.gz YURCFLSGDDFNIC-IJLUTSLNSA-N 3 2 245.367 -0.748 20 0 BBADLP CCO[C@@H]1C[N@H+](C[C@](C)(O)C[NH2+]C)C[C@H]1C[NH3+] ZINC000652356259 411214659 /nfs/dbraw/zinc/21/46/59/411214659.db2.gz YURCFLSGDDFNIC-IJLUTSLNSA-N 3 2 245.367 -0.748 20 0 BBADLP CCO[C@@H]1C[N@@H+](C[C@@](C)(O)C[NH2+]C)C[C@H]1C[NH3+] ZINC000652356260 411215173 /nfs/dbraw/zinc/21/51/73/411215173.db2.gz YURCFLSGDDFNIC-UTUOFQBUSA-N 3 2 245.367 -0.748 20 0 BBADLP CCO[C@@H]1C[N@H+](C[C@@](C)(O)C[NH2+]C)C[C@H]1C[NH3+] ZINC000652356260 411215170 /nfs/dbraw/zinc/21/51/70/411215170.db2.gz YURCFLSGDDFNIC-UTUOFQBUSA-N 3 2 245.367 -0.748 20 0 BBADLP CCO[C@@H]1C[N@@H+](CCC[NH2+]C)C[C@H]1C[NH3+] ZINC000652356613 411214994 /nfs/dbraw/zinc/21/49/94/411214994.db2.gz XJFJSIHMIWDNJV-GHMZBOCLSA-N 3 2 215.341 -0.109 20 0 BBADLP CCO[C@@H]1C[N@H+](CCC[NH2+]C)C[C@H]1C[NH3+] ZINC000652356613 411214992 /nfs/dbraw/zinc/21/49/92/411214992.db2.gz XJFJSIHMIWDNJV-GHMZBOCLSA-N 3 2 215.341 -0.109 20 0 BBADLP CCO[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1C[NH3+] ZINC000652356651 411214919 /nfs/dbraw/zinc/21/49/19/411214919.db2.gz ZYOORVYGYNOPFD-KXUCPTDWSA-N 2 2 227.308 -0.830 20 0 BBADLP CCO[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1C[NH3+] ZINC000652356651 411214916 /nfs/dbraw/zinc/21/49/16/411214916.db2.gz ZYOORVYGYNOPFD-KXUCPTDWSA-N 2 2 227.308 -0.830 20 0 BBADLP CCO[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1C[NH3+] ZINC000652356652 411215243 /nfs/dbraw/zinc/21/52/43/411215243.db2.gz ZYOORVYGYNOPFD-OPRDCNLKSA-N 2 2 227.308 -0.830 20 0 BBADLP CCO[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1C[NH3+] ZINC000652356652 411215241 /nfs/dbraw/zinc/21/52/41/411215241.db2.gz ZYOORVYGYNOPFD-OPRDCNLKSA-N 2 2 227.308 -0.830 20 0 BBADLP C[C@@H](C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)[NH+](C)C ZINC000652890235 411260670 /nfs/dbraw/zinc/26/06/70/411260670.db2.gz UHRZJVQTFVLOFQ-GXSJLCMTSA-N 2 2 241.335 -0.786 20 0 BBADLP C[C@@H](C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)[NH+](C)C ZINC000652890235 411260667 /nfs/dbraw/zinc/26/06/67/411260667.db2.gz UHRZJVQTFVLOFQ-GXSJLCMTSA-N 2 2 241.335 -0.786 20 0 BBADLP [NH3+]CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653042882 411401976 /nfs/dbraw/zinc/40/19/76/411401976.db2.gz KQWUPUDBUQNYPL-UHFFFAOYSA-N 2 2 222.292 -0.163 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000653046405 411402938 /nfs/dbraw/zinc/40/29/38/411402938.db2.gz ZSEXBYMVZHUPRT-GHMZBOCLSA-N 3 2 242.367 -0.476 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000653046406 411403150 /nfs/dbraw/zinc/40/31/50/411403150.db2.gz ZSEXBYMVZHUPRT-MNOVXSKESA-N 3 2 242.367 -0.476 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000653046407 411402321 /nfs/dbraw/zinc/40/23/21/411402321.db2.gz ZSEXBYMVZHUPRT-QWRGUYRKSA-N 3 2 242.367 -0.476 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000653046408 411402951 /nfs/dbraw/zinc/40/29/51/411402951.db2.gz ZSEXBYMVZHUPRT-WDEREUQCSA-N 3 2 242.367 -0.476 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000653046782 411402427 /nfs/dbraw/zinc/40/24/27/411402427.db2.gz OQGIBCICRQNTOS-GHMZBOCLSA-N 3 2 242.367 -0.395 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000653046783 411402822 /nfs/dbraw/zinc/40/28/22/411402822.db2.gz OQGIBCICRQNTOS-MNOVXSKESA-N 3 2 242.367 -0.395 20 0 BBADLP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653046947 411402569 /nfs/dbraw/zinc/40/25/69/411402569.db2.gz XPPZMRQMKUMKPE-NXEZZACHSA-N 3 2 228.340 -0.914 20 0 BBADLP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653046948 411402751 /nfs/dbraw/zinc/40/27/51/411402751.db2.gz XPPZMRQMKUMKPE-UWVGGRQHSA-N 3 2 228.340 -0.914 20 0 BBADLP C[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653046949 411402903 /nfs/dbraw/zinc/40/29/03/411402903.db2.gz XPPZMRQMKUMKPE-VHSXEESVSA-N 3 2 228.340 -0.914 20 0 BBADLP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653046950 411403088 /nfs/dbraw/zinc/40/30/88/411403088.db2.gz XPPZMRQMKUMKPE-ZJUUUORDSA-N 3 2 228.340 -0.914 20 0 BBADLP Nc1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)c[nH+]1 ZINC000653048505 411404037 /nfs/dbraw/zinc/40/40/37/411404037.db2.gz FJMSDFMNLWTSDB-UFBFGSQYSA-N 2 2 248.286 -0.331 20 0 BBADLP CC(C)[NH2+]CCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653048721 411404777 /nfs/dbraw/zinc/40/47/77/411404777.db2.gz VSWXETSVGKQIJY-LLVKDONJSA-N 3 2 244.383 -0.230 20 0 BBADLP CC(C)[NH2+]CCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653048722 411404773 /nfs/dbraw/zinc/40/47/73/411404773.db2.gz VSWXETSVGKQIJY-NSHDSACASA-N 3 2 244.383 -0.230 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC1(C[NH3+])CCCC1 ZINC000653050126 411404805 /nfs/dbraw/zinc/40/48/05/411404805.db2.gz CRJUVDRVCSNHFA-JTQLQIEISA-N 3 2 242.367 -0.347 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC1(C[NH3+])CCCC1 ZINC000653050127 411404896 /nfs/dbraw/zinc/40/48/96/411404896.db2.gz CRJUVDRVCSNHFA-SNVBAGLBSA-N 3 2 242.367 -0.347 20 0 BBADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@H](C)[NH2+]1 ZINC000653050257 411405296 /nfs/dbraw/zinc/40/52/96/411405296.db2.gz MBHAMALKJGNOCE-AXFHLTTASA-N 3 2 242.367 -0.526 20 0 BBADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@@H](C)[NH2+]1 ZINC000653050258 411404816 /nfs/dbraw/zinc/40/48/16/411404816.db2.gz MBHAMALKJGNOCE-GMTAPVOTSA-N 3 2 242.367 -0.526 20 0 BBADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@@H](C)[NH2+]1 ZINC000653050259 411405001 /nfs/dbraw/zinc/40/50/01/411405001.db2.gz MBHAMALKJGNOCE-MXWKQRLJSA-N 3 2 242.367 -0.526 20 0 BBADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@H](C)[NH2+]1 ZINC000653050260 411404862 /nfs/dbraw/zinc/40/48/62/411404862.db2.gz MBHAMALKJGNOCE-OUAUKWLOSA-N 3 2 242.367 -0.526 20 0 BBADLP CCC(CC)(C[NH3+])NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653050283 411405525 /nfs/dbraw/zinc/40/55/25/411405525.db2.gz OZOJKXYDAGSRFI-JTQLQIEISA-N 3 2 244.383 -0.101 20 0 BBADLP CCC(CC)(C[NH3+])NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653050284 411404951 /nfs/dbraw/zinc/40/49/51/411404951.db2.gz OZOJKXYDAGSRFI-SNVBAGLBSA-N 3 2 244.383 -0.101 20 0 BBADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC[NH2+]1 ZINC000653050654 411404942 /nfs/dbraw/zinc/40/49/42/411404942.db2.gz KEESFYXDVTWKSH-NXEZZACHSA-N 3 2 228.340 -0.914 20 0 BBADLP C[C@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC[NH2+]1 ZINC000653050655 411405248 /nfs/dbraw/zinc/40/52/48/411405248.db2.gz KEESFYXDVTWKSH-UWVGGRQHSA-N 3 2 228.340 -0.914 20 0 BBADLP C[C@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC[NH2+]1 ZINC000653050656 411405367 /nfs/dbraw/zinc/40/53/67/411405367.db2.gz KEESFYXDVTWKSH-VHSXEESVSA-N 3 2 228.340 -0.914 20 0 BBADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC[NH2+]1 ZINC000653050657 411405399 /nfs/dbraw/zinc/40/53/99/411405399.db2.gz KEESFYXDVTWKSH-ZJUUUORDSA-N 3 2 228.340 -0.914 20 0 BBADLP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653051092 411405509 /nfs/dbraw/zinc/40/55/09/411405509.db2.gz HTBAHUASECTJCU-GHMZBOCLSA-N 3 2 244.383 -0.245 20 0 BBADLP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653051093 411405080 /nfs/dbraw/zinc/40/50/80/411405080.db2.gz HTBAHUASECTJCU-MNOVXSKESA-N 3 2 244.383 -0.245 20 0 BBADLP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653051094 411405430 /nfs/dbraw/zinc/40/54/30/411405430.db2.gz HTBAHUASECTJCU-QWRGUYRKSA-N 3 2 244.383 -0.245 20 0 BBADLP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653051095 411405441 /nfs/dbraw/zinc/40/54/41/411405441.db2.gz HTBAHUASECTJCU-WDEREUQCSA-N 3 2 244.383 -0.245 20 0 BBADLP CC(C)[C@H]([NH3+])CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653051901 411404809 /nfs/dbraw/zinc/40/48/09/411404809.db2.gz NVFGGRZBKIIHDN-NXEZZACHSA-N 3 2 230.356 -0.635 20 0 BBADLP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653051902 411405424 /nfs/dbraw/zinc/40/54/24/411405424.db2.gz NVFGGRZBKIIHDN-UWVGGRQHSA-N 3 2 230.356 -0.635 20 0 BBADLP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653051903 411404801 /nfs/dbraw/zinc/40/48/01/411404801.db2.gz NVFGGRZBKIIHDN-VHSXEESVSA-N 3 2 230.356 -0.635 20 0 BBADLP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653051904 411404823 /nfs/dbraw/zinc/40/48/23/411404823.db2.gz NVFGGRZBKIIHDN-ZJUUUORDSA-N 3 2 230.356 -0.635 20 0 BBADLP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653052325 411406273 /nfs/dbraw/zinc/40/62/73/411406273.db2.gz BDVALLIYARLWJK-CMPLNLGQSA-N 3 2 244.383 -0.245 20 0 BBADLP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653052326 411405801 /nfs/dbraw/zinc/40/58/01/411405801.db2.gz BDVALLIYARLWJK-JQWIXIFHSA-N 3 2 244.383 -0.245 20 0 BBADLP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653052327 411405903 /nfs/dbraw/zinc/40/59/03/411405903.db2.gz BDVALLIYARLWJK-PWSUYJOCSA-N 3 2 244.383 -0.245 20 0 BBADLP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653052328 411406459 /nfs/dbraw/zinc/40/64/59/411406459.db2.gz BDVALLIYARLWJK-ZYHUDNBSSA-N 3 2 244.383 -0.245 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[NH2+]CC1(C)C ZINC000653053782 411406242 /nfs/dbraw/zinc/40/62/42/411406242.db2.gz JTWPKKUGAUKTQU-JTQLQIEISA-N 3 2 242.367 -0.524 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]CC1(C)C ZINC000653053783 411406367 /nfs/dbraw/zinc/40/63/67/411406367.db2.gz JTWPKKUGAUKTQU-SNVBAGLBSA-N 3 2 242.367 -0.524 20 0 BBADLP CCC([NH3+])(CC)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653054416 411407078 /nfs/dbraw/zinc/40/70/78/411407078.db2.gz SKFAULGTTZPNQU-JTQLQIEISA-N 3 2 244.383 -0.101 20 0 BBADLP CCC([NH3+])(CC)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653054417 411406903 /nfs/dbraw/zinc/40/69/03/411406903.db2.gz SKFAULGTTZPNQU-SNVBAGLBSA-N 3 2 244.383 -0.101 20 0 BBADLP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653054749 411407344 /nfs/dbraw/zinc/40/73/44/411407344.db2.gz PXSZBHSCUNTGDQ-JTQLQIEISA-N 3 2 244.383 -0.291 20 0 BBADLP CN(CC(C)(C)C[NH3+])C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653054750 411406847 /nfs/dbraw/zinc/40/68/47/411406847.db2.gz PXSZBHSCUNTGDQ-SNVBAGLBSA-N 3 2 244.383 -0.291 20 0 BBADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@H](C)O1 ZINC000653055985 411407181 /nfs/dbraw/zinc/40/71/81/411407181.db2.gz RAQWWHOUCLNIPI-AXFHLTTASA-N 2 2 243.351 -0.099 20 0 BBADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@H](C)O1 ZINC000653055988 411407037 /nfs/dbraw/zinc/40/70/37/411407037.db2.gz RAQWWHOUCLNIPI-OUAUKWLOSA-N 2 2 243.351 -0.099 20 0 BBADLP CCCC[C@H](C[NH3+])NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653056247 411406930 /nfs/dbraw/zinc/40/69/30/411406930.db2.gz ZWVXYXGOJORZBU-GHMZBOCLSA-N 3 2 244.383 -0.101 20 0 BBADLP CCCC[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653056248 411407126 /nfs/dbraw/zinc/40/71/26/411407126.db2.gz ZWVXYXGOJORZBU-MNOVXSKESA-N 3 2 244.383 -0.101 20 0 BBADLP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653056249 411407223 /nfs/dbraw/zinc/40/72/23/411407223.db2.gz ZWVXYXGOJORZBU-QWRGUYRKSA-N 3 2 244.383 -0.101 20 0 BBADLP CCCC[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653056250 411407148 /nfs/dbraw/zinc/40/71/48/411407148.db2.gz ZWVXYXGOJORZBU-WDEREUQCSA-N 3 2 244.383 -0.101 20 0 BBADLP CCOCCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653056920 411407723 /nfs/dbraw/zinc/40/77/23/411407723.db2.gz FOXSTSIJRFXGRM-JTQLQIEISA-N 2 2 231.340 -0.192 20 0 BBADLP CCOCCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653056921 411407685 /nfs/dbraw/zinc/40/76/85/411407685.db2.gz FOXSTSIJRFXGRM-SNVBAGLBSA-N 2 2 231.340 -0.192 20 0 BBADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CCO1 ZINC000653063062 411410542 /nfs/dbraw/zinc/41/05/42/411410542.db2.gz VPGXGLMQSHXDAE-NXEZZACHSA-N 2 2 229.324 -0.487 20 0 BBADLP C[C@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CCO1 ZINC000653063063 411410718 /nfs/dbraw/zinc/41/07/18/411410718.db2.gz VPGXGLMQSHXDAE-UWVGGRQHSA-N 2 2 229.324 -0.487 20 0 BBADLP C[C@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CCO1 ZINC000653063064 411410170 /nfs/dbraw/zinc/41/01/70/411410170.db2.gz VPGXGLMQSHXDAE-VHSXEESVSA-N 2 2 229.324 -0.487 20 0 BBADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CCO1 ZINC000653063065 411410196 /nfs/dbraw/zinc/41/01/96/411410196.db2.gz VPGXGLMQSHXDAE-ZJUUUORDSA-N 2 2 229.324 -0.487 20 0 BBADLP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CCO1 ZINC000653064140 411410418 /nfs/dbraw/zinc/41/04/18/411410418.db2.gz HSXKZKHLLTXVPV-GHMZBOCLSA-N 2 2 243.351 -0.097 20 0 BBADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CCO1 ZINC000653064141 411410548 /nfs/dbraw/zinc/41/05/48/411410548.db2.gz HSXKZKHLLTXVPV-MNOVXSKESA-N 2 2 243.351 -0.097 20 0 BBADLP CC[C@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CCO1 ZINC000653064142 411409856 /nfs/dbraw/zinc/40/98/56/411409856.db2.gz HSXKZKHLLTXVPV-QWRGUYRKSA-N 2 2 243.351 -0.097 20 0 BBADLP CC[C@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CCO1 ZINC000653064143 411409842 /nfs/dbraw/zinc/40/98/42/411409842.db2.gz HSXKZKHLLTXVPV-WDEREUQCSA-N 2 2 243.351 -0.097 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCSCC1 ZINC000653064686 411410218 /nfs/dbraw/zinc/41/02/18/411410218.db2.gz AUJBPRAAPQSNNE-SECBINFHSA-N 2 2 231.365 -0.159 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCSCC1 ZINC000653064687 411410256 /nfs/dbraw/zinc/41/02/56/411410256.db2.gz AUJBPRAAPQSNNE-VIFPVBQESA-N 2 2 231.365 -0.159 20 0 BBADLP CC[C@H](COC)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653064784 411411611 /nfs/dbraw/zinc/41/16/11/411411611.db2.gz FUIZRRZCVSYXPZ-NXEZZACHSA-N 2 2 231.340 -0.193 20 0 BBADLP CC[C@@H](COC)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653064785 411411453 /nfs/dbraw/zinc/41/14/53/411411453.db2.gz FUIZRRZCVSYXPZ-UWVGGRQHSA-N 2 2 231.340 -0.193 20 0 BBADLP CC[C@@H](COC)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653064786 411411469 /nfs/dbraw/zinc/41/14/69/411411469.db2.gz FUIZRRZCVSYXPZ-VHSXEESVSA-N 2 2 231.340 -0.193 20 0 BBADLP CC[C@H](COC)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653064787 411411422 /nfs/dbraw/zinc/41/14/22/411411422.db2.gz FUIZRRZCVSYXPZ-ZJUUUORDSA-N 2 2 231.340 -0.193 20 0 BBADLP COCCN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653065101 411409865 /nfs/dbraw/zinc/40/98/65/411409865.db2.gz UAHUPMJEPAWPCR-SECBINFHSA-N 2 2 217.313 -0.630 20 0 BBADLP COCCN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653065102 411410480 /nfs/dbraw/zinc/41/04/80/411410480.db2.gz UAHUPMJEPAWPCR-VIFPVBQESA-N 2 2 217.313 -0.630 20 0 BBADLP CN(C[C@@H]1CCCO1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653065855 411411097 /nfs/dbraw/zinc/41/10/97/411411097.db2.gz VWRPRTVJJZJBIO-QWRGUYRKSA-N 2 2 243.351 -0.097 20 0 BBADLP CN(C[C@@H]1CCCO1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653065856 411411302 /nfs/dbraw/zinc/41/13/02/411411302.db2.gz VWRPRTVJJZJBIO-WDEREUQCSA-N 2 2 243.351 -0.097 20 0 BBADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H](C)CO1 ZINC000653071668 411412666 /nfs/dbraw/zinc/41/26/66/411412666.db2.gz OXABXBRYBCIGOK-AXFHLTTASA-N 2 2 243.351 -0.099 20 0 BBADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H](C)CO1 ZINC000653071669 411412435 /nfs/dbraw/zinc/41/24/35/411412435.db2.gz OXABXBRYBCIGOK-GMTAPVOTSA-N 2 2 243.351 -0.099 20 0 BBADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H](C)CO1 ZINC000653071670 411412749 /nfs/dbraw/zinc/41/27/49/411412749.db2.gz OXABXBRYBCIGOK-HBNTYKKESA-N 2 2 243.351 -0.099 20 0 BBADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H](C)CO1 ZINC000653071671 411412195 /nfs/dbraw/zinc/41/21/95/411412195.db2.gz OXABXBRYBCIGOK-MXWKQRLJSA-N 2 2 243.351 -0.099 20 0 BBADLP CO[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653072177 411412444 /nfs/dbraw/zinc/41/24/44/411412444.db2.gz HJRQDPQIBXHIAK-GHMZBOCLSA-N 2 2 243.351 -0.097 20 0 BBADLP CO[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653072178 411412450 /nfs/dbraw/zinc/41/24/50/411412450.db2.gz HJRQDPQIBXHIAK-MNOVXSKESA-N 2 2 243.351 -0.097 20 0 BBADLP CO[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653072179 411412349 /nfs/dbraw/zinc/41/23/49/411412349.db2.gz HJRQDPQIBXHIAK-QWRGUYRKSA-N 2 2 243.351 -0.097 20 0 BBADLP CO[C@H]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653072180 411412741 /nfs/dbraw/zinc/41/27/41/411412741.db2.gz HJRQDPQIBXHIAK-WDEREUQCSA-N 2 2 243.351 -0.097 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCOC(C)(C)C1 ZINC000653072731 411412291 /nfs/dbraw/zinc/41/22/91/411412291.db2.gz CUDMLZUYDMNDAE-JTQLQIEISA-N 2 2 243.351 -0.097 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCOC(C)(C)C1 ZINC000653072732 411412208 /nfs/dbraw/zinc/41/22/08/411412208.db2.gz CUDMLZUYDMNDAE-SNVBAGLBSA-N 2 2 243.351 -0.097 20 0 BBADLP CC[C@@H]1COCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653073160 411413102 /nfs/dbraw/zinc/41/31/02/411413102.db2.gz SOHOIULZRLYEQP-GHMZBOCLSA-N 2 2 243.351 -0.097 20 0 BBADLP CC[C@@H]1COCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653073161 411413202 /nfs/dbraw/zinc/41/32/02/411413202.db2.gz SOHOIULZRLYEQP-MNOVXSKESA-N 2 2 243.351 -0.097 20 0 BBADLP CC[C@H]1COCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653073162 411413215 /nfs/dbraw/zinc/41/32/15/411413215.db2.gz SOHOIULZRLYEQP-QWRGUYRKSA-N 2 2 243.351 -0.097 20 0 BBADLP CC[C@H]1COCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653073163 411413387 /nfs/dbraw/zinc/41/33/87/411413387.db2.gz SOHOIULZRLYEQP-WDEREUQCSA-N 2 2 243.351 -0.097 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCCCO1 ZINC000653076240 409591068 /nfs/dbraw/zinc/59/10/68/409591068.db2.gz ORFACQVOIMDMLO-GHMZBOCLSA-N 2 2 243.351 -0.049 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H]1CCCCO1 ZINC000653076241 409589303 /nfs/dbraw/zinc/58/93/03/409589303.db2.gz ORFACQVOIMDMLO-MNOVXSKESA-N 2 2 243.351 -0.049 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCCCO1 ZINC000653076242 409590010 /nfs/dbraw/zinc/59/00/10/409590010.db2.gz ORFACQVOIMDMLO-QWRGUYRKSA-N 2 2 243.351 -0.049 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCCO1 ZINC000653076243 409589235 /nfs/dbraw/zinc/58/92/35/409589235.db2.gz ORFACQVOIMDMLO-WDEREUQCSA-N 2 2 243.351 -0.049 20 0 BBADLP COC[C@H](C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653079941 409596812 /nfs/dbraw/zinc/59/68/12/409596812.db2.gz UJLJBNNVAVVVLK-NXEZZACHSA-N 2 2 231.340 -0.336 20 0 BBADLP COC[C@@H](C)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653079942 409595772 /nfs/dbraw/zinc/59/57/72/409595772.db2.gz UJLJBNNVAVVVLK-UWVGGRQHSA-N 2 2 231.340 -0.336 20 0 BBADLP COC[C@@H](C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653079943 409596183 /nfs/dbraw/zinc/59/61/83/409596183.db2.gz UJLJBNNVAVVVLK-VHSXEESVSA-N 2 2 231.340 -0.336 20 0 BBADLP COC[C@H](C)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653079944 409595929 /nfs/dbraw/zinc/59/59/29/409595929.db2.gz UJLJBNNVAVVVLK-ZJUUUORDSA-N 2 2 231.340 -0.336 20 0 BBADLP CN(CC(F)F)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653080008 409595800 /nfs/dbraw/zinc/59/58/00/409595800.db2.gz WBRNEJYNKWPAFE-SSDOTTSWSA-N 2 2 223.267 -0.011 20 0 BBADLP CN(CC(F)F)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653080009 409596426 /nfs/dbraw/zinc/59/64/26/409596426.db2.gz WBRNEJYNKWPAFE-ZETCQYMHSA-N 2 2 223.267 -0.011 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCOCC1CC1 ZINC000653080530 409596251 /nfs/dbraw/zinc/59/62/51/409596251.db2.gz KOTPIHWZYHVMKE-LLVKDONJSA-N 2 2 243.351 -0.192 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCOCC1CC1 ZINC000653080531 409597567 /nfs/dbraw/zinc/59/75/67/409597567.db2.gz KOTPIHWZYHVMKE-NSHDSACASA-N 2 2 243.351 -0.192 20 0 BBADLP COCCCN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653080842 409596526 /nfs/dbraw/zinc/59/65/26/409596526.db2.gz VNLIZIWVUVGMGX-JTQLQIEISA-N 2 2 231.340 -0.240 20 0 BBADLP COCCCN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653080843 409595762 /nfs/dbraw/zinc/59/57/62/409595762.db2.gz VNLIZIWVUVGMGX-SNVBAGLBSA-N 2 2 231.340 -0.240 20 0 BBADLP COCC(C)(C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653082208 409603981 /nfs/dbraw/zinc/60/39/81/409603981.db2.gz MTOYJVORQAOMCZ-SECBINFHSA-N 2 2 231.340 -0.193 20 0 BBADLP COCC(C)(C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653082209 409603310 /nfs/dbraw/zinc/60/33/10/409603310.db2.gz MTOYJVORQAOMCZ-VIFPVBQESA-N 2 2 231.340 -0.193 20 0 BBADLP COCC[C@@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653084250 409608274 /nfs/dbraw/zinc/60/82/74/409608274.db2.gz ZRPIHRWVRPRIMQ-NXEZZACHSA-N 2 2 231.340 -0.193 20 0 BBADLP COCC[C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653084251 409606700 /nfs/dbraw/zinc/60/67/00/409606700.db2.gz ZRPIHRWVRPRIMQ-UWVGGRQHSA-N 2 2 231.340 -0.193 20 0 BBADLP COCC[C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653084252 409607378 /nfs/dbraw/zinc/60/73/78/409607378.db2.gz ZRPIHRWVRPRIMQ-VHSXEESVSA-N 2 2 231.340 -0.193 20 0 BBADLP COCC[C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653084253 409607217 /nfs/dbraw/zinc/60/72/17/409607217.db2.gz ZRPIHRWVRPRIMQ-ZJUUUORDSA-N 2 2 231.340 -0.193 20 0 BBADLP CC(C)[C@@H](CCO)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653089084 487539300 /nfs/dbraw/zinc/53/93/00/487539300.db2.gz XCOBQIHHXFOQFG-GHMZBOCLSA-N 2 2 245.367 -0.211 20 0 BBADLP CC(C)[C@H](CCO)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653089085 487539648 /nfs/dbraw/zinc/53/96/48/487539648.db2.gz XCOBQIHHXFOQFG-MNOVXSKESA-N 2 2 245.367 -0.211 20 0 BBADLP CC(C)[C@H](CCO)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653089086 487539913 /nfs/dbraw/zinc/53/99/13/487539913.db2.gz XCOBQIHHXFOQFG-QWRGUYRKSA-N 2 2 245.367 -0.211 20 0 BBADLP CC(C)[C@@H](CCO)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653089087 487539446 /nfs/dbraw/zinc/53/94/46/487539446.db2.gz XCOBQIHHXFOQFG-WDEREUQCSA-N 2 2 245.367 -0.211 20 0 BBADLP CCC[C@@H](O)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653089205 487540617 /nfs/dbraw/zinc/54/06/17/487540617.db2.gz ANWGDKAHBHBXGH-NXEZZACHSA-N 2 2 231.340 -0.457 20 0 BBADLP CCC[C@H](O)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653089206 487540561 /nfs/dbraw/zinc/54/05/61/487540561.db2.gz ANWGDKAHBHBXGH-UWVGGRQHSA-N 2 2 231.340 -0.457 20 0 BBADLP CCC[C@H](O)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653089207 487540566 /nfs/dbraw/zinc/54/05/66/487540566.db2.gz ANWGDKAHBHBXGH-VHSXEESVSA-N 2 2 231.340 -0.457 20 0 BBADLP CCC[C@@H](O)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653089208 487540506 /nfs/dbraw/zinc/54/05/06/487540506.db2.gz ANWGDKAHBHBXGH-ZJUUUORDSA-N 2 2 231.340 -0.457 20 0 BBADLP CC[C@H](C)[C@@H](O)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653089564 487539396 /nfs/dbraw/zinc/53/93/96/487539396.db2.gz MFBGDRNVQYNIMM-AXFHLTTASA-N 2 2 245.367 -0.211 20 0 BBADLP CC[C@H](C)[C@@H](O)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653089565 487539285 /nfs/dbraw/zinc/53/92/85/487539285.db2.gz MFBGDRNVQYNIMM-DCAQKATOSA-N 2 2 245.367 -0.211 20 0 BBADLP CC[C@H](C)[C@H](O)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653089566 487539067 /nfs/dbraw/zinc/53/90/67/487539067.db2.gz MFBGDRNVQYNIMM-GARJFASQSA-N 2 2 245.367 -0.211 20 0 BBADLP CC[C@H](C)[C@H](O)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653089567 487539312 /nfs/dbraw/zinc/53/93/12/487539312.db2.gz MFBGDRNVQYNIMM-HBNTYKKESA-N 2 2 245.367 -0.211 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@]1(C)CCCO1 ZINC000653089637 409623255 /nfs/dbraw/zinc/62/32/55/409623255.db2.gz OQCXMZUEQUXRNT-CMPLNLGQSA-N 2 2 243.351 -0.049 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@]1(C)CCCO1 ZINC000653089638 409623189 /nfs/dbraw/zinc/62/31/89/409623189.db2.gz OQCXMZUEQUXRNT-JQWIXIFHSA-N 2 2 243.351 -0.049 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@]1(C)CCCO1 ZINC000653089639 409623160 /nfs/dbraw/zinc/62/31/60/409623160.db2.gz OQCXMZUEQUXRNT-PWSUYJOCSA-N 2 2 243.351 -0.049 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@]1(C)CCCO1 ZINC000653089640 409623225 /nfs/dbraw/zinc/62/32/25/409623225.db2.gz OQCXMZUEQUXRNT-ZYHUDNBSSA-N 2 2 243.351 -0.049 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000653091118 409648738 /nfs/dbraw/zinc/64/87/38/409648738.db2.gz KXDKMWUWWYRCIC-AXFHLTTASA-N 2 2 241.335 -0.345 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000653091119 409648063 /nfs/dbraw/zinc/64/80/63/409648063.db2.gz KXDKMWUWWYRCIC-OUAUKWLOSA-N 2 2 241.335 -0.345 20 0 BBADLP COC(C)(C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653092311 409675969 /nfs/dbraw/zinc/67/59/69/409675969.db2.gz YVLNHUODIFHLCB-SECBINFHSA-N 2 2 231.340 -0.193 20 0 BBADLP COC(C)(C)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653092312 409677106 /nfs/dbraw/zinc/67/71/06/409677106.db2.gz YVLNHUODIFHLCB-VIFPVBQESA-N 2 2 231.340 -0.193 20 0 BBADLP COC[C@H]1CCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653102163 409795744 /nfs/dbraw/zinc/79/57/44/409795744.db2.gz PQUOQOSSYSDODL-GHMZBOCLSA-N 2 2 243.351 -0.097 20 0 BBADLP COC[C@H]1CCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653102164 409795589 /nfs/dbraw/zinc/79/55/89/409795589.db2.gz PQUOQOSSYSDODL-MNOVXSKESA-N 2 2 243.351 -0.097 20 0 BBADLP COC[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653102165 409795679 /nfs/dbraw/zinc/79/56/79/409795679.db2.gz PQUOQOSSYSDODL-QWRGUYRKSA-N 2 2 243.351 -0.097 20 0 BBADLP COC[C@@H]1CCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653102166 409795551 /nfs/dbraw/zinc/79/55/51/409795551.db2.gz PQUOQOSSYSDODL-WDEREUQCSA-N 2 2 243.351 -0.097 20 0 BBADLP CC[NH+](CC)CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653104350 409798495 /nfs/dbraw/zinc/79/84/95/409798495.db2.gz FWSMFBZPIFORKP-LLVKDONJSA-N 3 2 244.383 -0.277 20 0 BBADLP CC[NH+](CC)CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653104351 409799169 /nfs/dbraw/zinc/79/91/69/409799169.db2.gz FWSMFBZPIFORKP-NSHDSACASA-N 3 2 244.383 -0.277 20 0 BBADLP CC[NH+]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653104796 409798549 /nfs/dbraw/zinc/79/85/49/409798549.db2.gz UZPRBKMSFCKPMI-LLVKDONJSA-N 3 2 242.367 -0.571 20 0 BBADLP CC[NH+]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653104797 409796990 /nfs/dbraw/zinc/79/69/90/409796990.db2.gz UZPRBKMSFCKPMI-NSHDSACASA-N 3 2 242.367 -0.571 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000653105371 409796879 /nfs/dbraw/zinc/79/68/79/409796879.db2.gz RUTFFSQPUGHBTB-JTQLQIEISA-N 3 2 244.383 -0.278 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000653105372 409797747 /nfs/dbraw/zinc/79/77/47/409797747.db2.gz RUTFFSQPUGHBTB-SNVBAGLBSA-N 3 2 244.383 -0.278 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccncc1 ZINC000653105384 409798706 /nfs/dbraw/zinc/79/87/06/409798706.db2.gz SGNRYNVEPSDFII-JTQLQIEISA-N 2 2 222.292 -0.279 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccncc1 ZINC000653105385 409798748 /nfs/dbraw/zinc/79/87/48/409798748.db2.gz SGNRYNVEPSDFII-SNVBAGLBSA-N 2 2 222.292 -0.279 20 0 BBADLP Cc1cc(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc[nH+]1 ZINC000653105597 409796923 /nfs/dbraw/zinc/79/69/23/409796923.db2.gz BRONPNGRDBKCIQ-GWCFXTLKSA-N 2 2 247.298 -0.014 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000653105974 409796691 /nfs/dbraw/zinc/79/66/91/409796691.db2.gz OHXBOPKHCVLXRQ-LLVKDONJSA-N 3 2 242.367 -0.523 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000653105975 409797397 /nfs/dbraw/zinc/79/73/97/409797397.db2.gz OHXBOPKHCVLXRQ-NSHDSACASA-N 3 2 242.367 -0.523 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000653112370 487687827 /nfs/dbraw/zinc/68/78/27/487687827.db2.gz WTDSSDMXZXNYLI-GHMZBOCLSA-N 3 2 242.367 -0.524 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000653112371 487687307 /nfs/dbraw/zinc/68/73/07/487687307.db2.gz WTDSSDMXZXNYLI-MNOVXSKESA-N 3 2 242.367 -0.524 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000653112372 487687750 /nfs/dbraw/zinc/68/77/50/487687750.db2.gz WTDSSDMXZXNYLI-QWRGUYRKSA-N 3 2 242.367 -0.524 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000653112373 487687806 /nfs/dbraw/zinc/68/78/06/487687806.db2.gz WTDSSDMXZXNYLI-WDEREUQCSA-N 3 2 242.367 -0.524 20 0 BBADLP C[C@H](CC[NH+](C)C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653112787 487687668 /nfs/dbraw/zinc/68/76/68/487687668.db2.gz JZHKBBGSTASGIJ-GHMZBOCLSA-N 3 2 244.383 -0.278 20 0 BBADLP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653112788 409823293 /nfs/dbraw/zinc/82/32/93/409823293.db2.gz JZHKBBGSTASGIJ-MNOVXSKESA-N 3 2 244.383 -0.278 20 0 BBADLP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653112789 409823493 /nfs/dbraw/zinc/82/34/93/409823493.db2.gz JZHKBBGSTASGIJ-QWRGUYRKSA-N 3 2 244.383 -0.278 20 0 BBADLP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653112790 409824115 /nfs/dbraw/zinc/82/41/15/409824115.db2.gz JZHKBBGSTASGIJ-WDEREUQCSA-N 3 2 244.383 -0.278 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000653113185 409821883 /nfs/dbraw/zinc/82/18/83/409821883.db2.gz VSRQUGITVBPRQV-LLVKDONJSA-N 3 2 242.367 -0.524 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000653113185 409821879 /nfs/dbraw/zinc/82/18/79/409821879.db2.gz VSRQUGITVBPRQV-LLVKDONJSA-N 3 2 242.367 -0.524 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000653113186 409822704 /nfs/dbraw/zinc/82/27/04/409822704.db2.gz VSRQUGITVBPRQV-NSHDSACASA-N 3 2 242.367 -0.524 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000653113186 409822696 /nfs/dbraw/zinc/82/26/96/409822696.db2.gz VSRQUGITVBPRQV-NSHDSACASA-N 3 2 242.367 -0.524 20 0 BBADLP CC(C)[N@@H+](C)CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653115117 409830427 /nfs/dbraw/zinc/83/04/27/409830427.db2.gz DAMFEVOFJBVNGK-LLVKDONJSA-N 3 2 244.383 -0.278 20 0 BBADLP CC(C)[N@H+](C)CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653115117 409830422 /nfs/dbraw/zinc/83/04/22/409830422.db2.gz DAMFEVOFJBVNGK-LLVKDONJSA-N 3 2 244.383 -0.278 20 0 BBADLP CC(C)[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653115118 409830327 /nfs/dbraw/zinc/83/03/27/409830327.db2.gz DAMFEVOFJBVNGK-NSHDSACASA-N 3 2 244.383 -0.278 20 0 BBADLP CC(C)[N@H+](C)CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653115118 409830322 /nfs/dbraw/zinc/83/03/22/409830322.db2.gz DAMFEVOFJBVNGK-NSHDSACASA-N 3 2 244.383 -0.278 20 0 BBADLP Cc1c[nH+]ccc1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653116365 409830043 /nfs/dbraw/zinc/83/00/43/409830043.db2.gz DRLGMXVOTGBRFA-GWCFXTLKSA-N 2 2 247.298 -0.014 20 0 BBADLP O=C(NCc1[nH]cc[nH+]1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653119532 409830401 /nfs/dbraw/zinc/83/04/01/409830401.db2.gz NCMHXCFMHRYFFZ-KWQFWETISA-N 2 2 236.275 -0.738 20 0 BBADLP CCC[NH2+]CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653127009 409838744 /nfs/dbraw/zinc/83/87/44/409838744.db2.gz SZIRZRYMXNFSGW-JTQLQIEISA-N 3 2 230.356 -0.619 20 0 BBADLP CCC[NH2+]CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653127010 409837892 /nfs/dbraw/zinc/83/78/92/409837892.db2.gz SZIRZRYMXNFSGW-SNVBAGLBSA-N 3 2 230.356 -0.619 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[NH+](C)CC1 ZINC000653127332 409839425 /nfs/dbraw/zinc/83/94/25/409839425.db2.gz NHNMHVXFOZSVCP-JTQLQIEISA-N 3 2 228.340 -0.961 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[NH+](C)CC1 ZINC000653127333 409838928 /nfs/dbraw/zinc/83/89/28/409838928.db2.gz NHNMHVXFOZSVCP-SNVBAGLBSA-N 3 2 228.340 -0.961 20 0 BBADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H](C)C[NH2+]1 ZINC000653128646 409840712 /nfs/dbraw/zinc/84/07/12/409840712.db2.gz QCZFBUFBWUOREN-GMTAPVOTSA-N 3 2 242.367 -0.526 20 0 BBADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H](C)C[NH2+]1 ZINC000653128647 409841480 /nfs/dbraw/zinc/84/14/80/409841480.db2.gz QCZFBUFBWUOREN-MXWKQRLJSA-N 3 2 242.367 -0.526 20 0 BBADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H](C)C[NH2+]1 ZINC000653128648 409841566 /nfs/dbraw/zinc/84/15/66/409841566.db2.gz QCZFBUFBWUOREN-OUAUKWLOSA-N 3 2 242.367 -0.526 20 0 BBADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H](C)C[NH2+]1 ZINC000653128649 409840981 /nfs/dbraw/zinc/84/09/81/409840981.db2.gz QCZFBUFBWUOREN-VWYCJHECSA-N 3 2 242.367 -0.526 20 0 BBADLP C[C@@H]1OCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H]1C ZINC000653130276 409843347 /nfs/dbraw/zinc/84/33/47/409843347.db2.gz AJXZRPHEYKPVKS-DCAQKATOSA-N 2 2 243.351 -0.099 20 0 BBADLP C[C@@H]1OCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H]1C ZINC000653130277 409844180 /nfs/dbraw/zinc/84/41/80/409844180.db2.gz AJXZRPHEYKPVKS-GARJFASQSA-N 2 2 243.351 -0.099 20 0 BBADLP C[C@@H]1[C@H](C)OCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653130278 409842725 /nfs/dbraw/zinc/84/27/25/409842725.db2.gz AJXZRPHEYKPVKS-OUAUKWLOSA-N 2 2 243.351 -0.099 20 0 BBADLP C[C@@H]1[C@H](C)OCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653130279 409847795 /nfs/dbraw/zinc/84/77/95/409847795.db2.gz AJXZRPHEYKPVKS-VWYCJHECSA-N 2 2 243.351 -0.099 20 0 BBADLP COC[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000653130479 409847398 /nfs/dbraw/zinc/84/73/98/409847398.db2.gz NSNJVPIVUYEEHB-GHMZBOCLSA-N 2 2 243.351 -0.193 20 0 BBADLP COC[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000653130480 409846206 /nfs/dbraw/zinc/84/62/06/409846206.db2.gz NSNJVPIVUYEEHB-MNOVXSKESA-N 2 2 243.351 -0.193 20 0 BBADLP COC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000653130481 409846913 /nfs/dbraw/zinc/84/69/13/409846913.db2.gz NSNJVPIVUYEEHB-QWRGUYRKSA-N 2 2 243.351 -0.193 20 0 BBADLP COC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000653130482 409847158 /nfs/dbraw/zinc/84/71/58/409847158.db2.gz NSNJVPIVUYEEHB-WDEREUQCSA-N 2 2 243.351 -0.193 20 0 BBADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653131736 409849651 /nfs/dbraw/zinc/84/96/51/409849651.db2.gz WTYCUENGURZDSL-GMTAPVOTSA-N 3 2 242.367 -0.620 20 0 BBADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653131737 409850711 /nfs/dbraw/zinc/85/07/11/409850711.db2.gz WTYCUENGURZDSL-MXWKQRLJSA-N 3 2 242.367 -0.620 20 0 BBADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653131738 409848998 /nfs/dbraw/zinc/84/89/98/409848998.db2.gz WTYCUENGURZDSL-OUAUKWLOSA-N 3 2 242.367 -0.620 20 0 BBADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653131739 409850349 /nfs/dbraw/zinc/85/03/49/409850349.db2.gz WTYCUENGURZDSL-VWYCJHECSA-N 3 2 242.367 -0.620 20 0 BBADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653135548 409854152 /nfs/dbraw/zinc/85/41/52/409854152.db2.gz HYBGLCRRNVZKOM-AXFHLTTASA-N 3 2 242.367 -0.526 20 0 BBADLP C[C@@H]1[NH2+]CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H]1C ZINC000653135549 409853746 /nfs/dbraw/zinc/85/37/46/409853746.db2.gz HYBGLCRRNVZKOM-DCAQKATOSA-N 3 2 242.367 -0.526 20 0 BBADLP C[C@@H]1[NH2+]CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H]1C ZINC000653135550 409853768 /nfs/dbraw/zinc/85/37/68/409853768.db2.gz HYBGLCRRNVZKOM-GARJFASQSA-N 3 2 242.367 -0.526 20 0 BBADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653135551 409854608 /nfs/dbraw/zinc/85/46/08/409854608.db2.gz HYBGLCRRNVZKOM-HBNTYKKESA-N 3 2 242.367 -0.526 20 0 BBADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653135887 409853693 /nfs/dbraw/zinc/85/36/93/409853693.db2.gz UBTJCNVJDYCGOG-AXFHLTTASA-N 3 2 242.367 -0.478 20 0 BBADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653135888 409854375 /nfs/dbraw/zinc/85/43/75/409854375.db2.gz UBTJCNVJDYCGOG-DCAQKATOSA-N 3 2 242.367 -0.478 20 0 BBADLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC([NH3+])C1 ZINC000653145357 409868836 /nfs/dbraw/zinc/86/88/36/409868836.db2.gz LDKJPLUXEUYGIO-RTBKNWGFSA-N 3 2 228.340 -0.787 20 0 BBADLP CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC([NH3+])C1 ZINC000653145358 409869567 /nfs/dbraw/zinc/86/95/67/409869567.db2.gz LDKJPLUXEUYGIO-UDNWOFFPSA-N 3 2 228.340 -0.787 20 0 BBADLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1(C[NH3+])CCC1 ZINC000653145850 409870051 /nfs/dbraw/zinc/87/00/51/409870051.db2.gz UUCJDZISYZCKKN-JTQLQIEISA-N 3 2 242.367 -0.395 20 0 BBADLP CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1(C[NH3+])CCC1 ZINC000653145851 409869036 /nfs/dbraw/zinc/86/90/36/409869036.db2.gz UUCJDZISYZCKKN-SNVBAGLBSA-N 3 2 242.367 -0.395 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000653147460 409871606 /nfs/dbraw/zinc/87/16/06/409871606.db2.gz HAHMMXGVUHKDBP-NXEZZACHSA-N 3 2 242.367 -0.478 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000653147461 409872545 /nfs/dbraw/zinc/87/25/45/409872545.db2.gz HAHMMXGVUHKDBP-UWVGGRQHSA-N 3 2 242.367 -0.478 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000653147462 409872705 /nfs/dbraw/zinc/87/27/05/409872705.db2.gz HAHMMXGVUHKDBP-VHSXEESVSA-N 3 2 242.367 -0.478 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000653147463 409872818 /nfs/dbraw/zinc/87/28/18/409872818.db2.gz HAHMMXGVUHKDBP-ZJUUUORDSA-N 3 2 242.367 -0.478 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000653148170 409871287 /nfs/dbraw/zinc/87/12/87/409871287.db2.gz QMMJFIFXGAQNQG-JTQLQIEISA-N 3 2 242.367 -0.524 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000653148171 409871826 /nfs/dbraw/zinc/87/18/26/409871826.db2.gz QMMJFIFXGAQNQG-SNVBAGLBSA-N 3 2 242.367 -0.524 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1O ZINC000653149656 409876595 /nfs/dbraw/zinc/87/65/95/409876595.db2.gz ADWRRWTZCUKWGA-GMTAPVOTSA-N 2 2 243.351 -0.315 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1O ZINC000653149657 409874113 /nfs/dbraw/zinc/87/41/13/409874113.db2.gz ADWRRWTZCUKWGA-HBNTYKKESA-N 2 2 243.351 -0.315 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1O ZINC000653150418 409875666 /nfs/dbraw/zinc/87/56/66/409875666.db2.gz ADWRRWTZCUKWGA-DCAQKATOSA-N 2 2 243.351 -0.315 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1O ZINC000653150419 409874215 /nfs/dbraw/zinc/87/42/15/409874215.db2.gz ADWRRWTZCUKWGA-VWYCJHECSA-N 2 2 243.351 -0.315 20 0 BBADLP CC(C)OCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653150681 409876171 /nfs/dbraw/zinc/87/61/71/409876171.db2.gz KTGUANVTOWBHFO-JTQLQIEISA-N 2 2 231.340 -0.193 20 0 BBADLP CC(C)OCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653150682 409875961 /nfs/dbraw/zinc/87/59/61/409875961.db2.gz KTGUANVTOWBHFO-SNVBAGLBSA-N 2 2 231.340 -0.193 20 0 BBADLP O=C(NCc1c[nH]c[nH+]1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653150935 409875772 /nfs/dbraw/zinc/87/57/72/409875772.db2.gz SCQYACLKNWRWFZ-KWQFWETISA-N 2 2 236.275 -0.738 20 0 BBADLP O=C(NCc1c[nH+]c[nH]1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653150935 409875765 /nfs/dbraw/zinc/87/57/65/409875765.db2.gz SCQYACLKNWRWFZ-KWQFWETISA-N 2 2 236.275 -0.738 20 0 BBADLP CO[C@H](C)[C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653160391 490342673 /nfs/dbraw/zinc/34/26/73/490342673.db2.gz HHUUUGJTUGOIGQ-AEJSXWLSSA-N 2 2 231.340 -0.195 20 0 BBADLP CO[C@@H](C)[C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653160392 490342932 /nfs/dbraw/zinc/34/29/32/490342932.db2.gz HHUUUGJTUGOIGQ-GUBZILKMSA-N 2 2 231.340 -0.195 20 0 BBADLP CO[C@H](C)[C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653160393 490342811 /nfs/dbraw/zinc/34/28/11/490342811.db2.gz HHUUUGJTUGOIGQ-IVZWLZJFSA-N 2 2 231.340 -0.195 20 0 BBADLP CO[C@@H](C)[C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653160394 490342920 /nfs/dbraw/zinc/34/29/20/490342920.db2.gz HHUUUGJTUGOIGQ-LPEHRKFASA-N 2 2 231.340 -0.195 20 0 BBADLP CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H](C[NH3+])C1CC1 ZINC000653162356 410099776 /nfs/dbraw/zinc/09/97/76/410099776.db2.gz CBMKFEPWRUKYRS-GHMZBOCLSA-N 3 2 242.367 -0.539 20 0 BBADLP CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H](C[NH3+])C1CC1 ZINC000653162357 410100335 /nfs/dbraw/zinc/10/03/35/410100335.db2.gz CBMKFEPWRUKYRS-MNOVXSKESA-N 3 2 242.367 -0.539 20 0 BBADLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H](C[NH3+])C1CC1 ZINC000653162358 410101529 /nfs/dbraw/zinc/10/15/29/410101529.db2.gz CBMKFEPWRUKYRS-QWRGUYRKSA-N 3 2 242.367 -0.539 20 0 BBADLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H](C[NH3+])C1CC1 ZINC000653162359 410101680 /nfs/dbraw/zinc/10/16/80/410101680.db2.gz CBMKFEPWRUKYRS-WDEREUQCSA-N 3 2 242.367 -0.539 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000653162939 410107021 /nfs/dbraw/zinc/10/70/21/410107021.db2.gz VWWXMMQUOYZXTJ-NXEZZACHSA-N 3 2 244.383 -0.245 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000653162940 410106689 /nfs/dbraw/zinc/10/66/89/410106689.db2.gz VWWXMMQUOYZXTJ-UWVGGRQHSA-N 3 2 244.383 -0.245 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000653162941 410106724 /nfs/dbraw/zinc/10/67/24/410106724.db2.gz VWWXMMQUOYZXTJ-VHSXEESVSA-N 3 2 244.383 -0.245 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000653162942 410106770 /nfs/dbraw/zinc/10/67/70/410106770.db2.gz VWWXMMQUOYZXTJ-ZJUUUORDSA-N 3 2 244.383 -0.245 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000653165788 410132717 /nfs/dbraw/zinc/13/27/17/410132717.db2.gz CSCPDMXOMRPICI-GMTAPVOTSA-N 3 2 242.367 -0.349 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000653165789 410132545 /nfs/dbraw/zinc/13/25/45/410132545.db2.gz CSCPDMXOMRPICI-OUAUKWLOSA-N 3 2 242.367 -0.349 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCCCN1 ZINC000653172612 410143565 /nfs/dbraw/zinc/14/35/65/410143565.db2.gz WRYDPCBBJQGHQB-SECBINFHSA-N 2 2 214.313 -0.608 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCCN1 ZINC000653172613 410143172 /nfs/dbraw/zinc/14/31/72/410143172.db2.gz WRYDPCBBJQGHQB-VIFPVBQESA-N 2 2 214.313 -0.608 20 0 BBADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CC(=O)NC1=O ZINC000653280185 410632925 /nfs/dbraw/zinc/63/29/25/410632925.db2.gz DOADOIFEUIIWKB-SECBINFHSA-N 2 2 236.275 -0.380 20 0 BBADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CC(=O)NC1=O ZINC000653280185 410632920 /nfs/dbraw/zinc/63/29/20/410632920.db2.gz DOADOIFEUIIWKB-SECBINFHSA-N 2 2 236.275 -0.380 20 0 BBADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CC(=O)NC1=O ZINC000653280186 410632804 /nfs/dbraw/zinc/63/28/04/410632804.db2.gz DOADOIFEUIIWKB-VIFPVBQESA-N 2 2 236.275 -0.380 20 0 BBADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CC(=O)NC1=O ZINC000653280186 410632799 /nfs/dbraw/zinc/63/27/99/410632799.db2.gz DOADOIFEUIIWKB-VIFPVBQESA-N 2 2 236.275 -0.380 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC[NH2+]C(C)(C)C ZINC000653346658 491106600 /nfs/dbraw/zinc/10/66/00/491106600.db2.gz CJDXITUOYCKWQP-JTQLQIEISA-N 3 2 244.383 -0.230 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC[NH2+]C(C)(C)C ZINC000653346659 491106613 /nfs/dbraw/zinc/10/66/13/491106613.db2.gz CJDXITUOYCKWQP-SNVBAGLBSA-N 3 2 244.383 -0.230 20 0 BBADLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC(O)C1 ZINC000653347980 411415164 /nfs/dbraw/zinc/41/51/64/411415164.db2.gz WXRRQLBBTCFTIZ-RTBKNWGFSA-N 2 2 229.324 -0.753 20 0 BBADLP CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC(O)C1 ZINC000653347981 411414627 /nfs/dbraw/zinc/41/46/27/411414627.db2.gz WXRRQLBBTCFTIZ-UDNWOFFPSA-N 2 2 229.324 -0.753 20 0 BBADLP Cn1c[nH+]cc1CCC[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000653562747 411422322 /nfs/dbraw/zinc/42/23/22/411422322.db2.gz IMIZMGMLLCFUBG-TXEJJXNPSA-N 2 2 239.319 -0.220 20 0 BBADLP Cn1c[nH+]cc1CCC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000653562747 411422319 /nfs/dbraw/zinc/42/23/19/411422319.db2.gz IMIZMGMLLCFUBG-TXEJJXNPSA-N 2 2 239.319 -0.220 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)C(=O)N(C)C ZINC000653579705 487969387 /nfs/dbraw/zinc/96/93/87/487969387.db2.gz IOJODYVDXLMJED-JTQLQIEISA-N 2 2 245.367 -0.245 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)C(=O)N(C)C ZINC000653579705 487969384 /nfs/dbraw/zinc/96/93/84/487969384.db2.gz IOJODYVDXLMJED-JTQLQIEISA-N 2 2 245.367 -0.245 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)C(=O)N(C)C ZINC000653579706 487969533 /nfs/dbraw/zinc/96/95/33/487969533.db2.gz IOJODYVDXLMJED-SNVBAGLBSA-N 2 2 245.367 -0.245 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)C(=O)N(C)C ZINC000653579706 487969529 /nfs/dbraw/zinc/96/95/29/487969529.db2.gz IOJODYVDXLMJED-SNVBAGLBSA-N 2 2 245.367 -0.245 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCNC(=O)C[C@H]1C ZINC000653593614 411428679 /nfs/dbraw/zinc/42/86/79/411428679.db2.gz HZOQQMNUTBDAPG-GHMZBOCLSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000653593614 411428677 /nfs/dbraw/zinc/42/86/77/411428677.db2.gz HZOQQMNUTBDAPG-GHMZBOCLSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCNC(=O)C[C@H]1C ZINC000653593614 411428675 /nfs/dbraw/zinc/42/86/75/411428675.db2.gz HZOQQMNUTBDAPG-GHMZBOCLSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCNC(=O)C[C@H]1C ZINC000653593614 411428673 /nfs/dbraw/zinc/42/86/73/411428673.db2.gz HZOQQMNUTBDAPG-GHMZBOCLSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCNC(=O)C[C@H]1C ZINC000653593615 411428797 /nfs/dbraw/zinc/42/87/97/411428797.db2.gz HZOQQMNUTBDAPG-MNOVXSKESA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000653593615 411428794 /nfs/dbraw/zinc/42/87/94/411428794.db2.gz HZOQQMNUTBDAPG-MNOVXSKESA-N 2 2 243.351 -0.491 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCNC(=O)C[C@H]1C ZINC000653593615 411428793 /nfs/dbraw/zinc/42/87/93/411428793.db2.gz HZOQQMNUTBDAPG-MNOVXSKESA-N 2 2 243.351 -0.491 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCNC(=O)C[C@H]1C ZINC000653593615 411428790 /nfs/dbraw/zinc/42/87/90/411428790.db2.gz HZOQQMNUTBDAPG-MNOVXSKESA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000653593616 411429067 /nfs/dbraw/zinc/42/90/67/411429067.db2.gz HZOQQMNUTBDAPG-QWRGUYRKSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000653593616 411429064 /nfs/dbraw/zinc/42/90/64/411429064.db2.gz HZOQQMNUTBDAPG-QWRGUYRKSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCNC(=O)C[C@@H]1C ZINC000653593616 411429061 /nfs/dbraw/zinc/42/90/61/411429061.db2.gz HZOQQMNUTBDAPG-QWRGUYRKSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCNC(=O)C[C@@H]1C ZINC000653593616 411429058 /nfs/dbraw/zinc/42/90/58/411429058.db2.gz HZOQQMNUTBDAPG-QWRGUYRKSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000653593617 411429124 /nfs/dbraw/zinc/42/91/24/411429124.db2.gz HZOQQMNUTBDAPG-WDEREUQCSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000653593617 411429121 /nfs/dbraw/zinc/42/91/21/411429121.db2.gz HZOQQMNUTBDAPG-WDEREUQCSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCNC(=O)C[C@@H]1C ZINC000653593617 411429119 /nfs/dbraw/zinc/42/91/19/411429119.db2.gz HZOQQMNUTBDAPG-WDEREUQCSA-N 2 2 243.351 -0.491 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCNC(=O)C[C@@H]1C ZINC000653593617 411429116 /nfs/dbraw/zinc/42/91/16/411429116.db2.gz HZOQQMNUTBDAPG-WDEREUQCSA-N 2 2 243.351 -0.491 20 0 BBADLP O=C1CC[C@@H](C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)N1 ZINC000653644138 411452927 /nfs/dbraw/zinc/45/29/27/411452927.db2.gz PQYQZBXBQAMJBB-JTQLQIEISA-N 2 2 249.318 -0.190 20 0 BBADLP Cn1c[nH+]cc1CCN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000653685489 411178422 /nfs/dbraw/zinc/17/84/22/411178422.db2.gz MDRKQVBSDMQCAY-RYUDHWBXSA-N 2 2 238.335 -0.431 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)(C)C(N)=O ZINC000653712860 411228740 /nfs/dbraw/zinc/22/87/40/411228740.db2.gz VBXUYYOHLDJIAC-SECBINFHSA-N 2 2 231.340 -0.505 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)C(C)(C)C(N)=O ZINC000653712860 411228738 /nfs/dbraw/zinc/22/87/38/411228738.db2.gz VBXUYYOHLDJIAC-SECBINFHSA-N 2 2 231.340 -0.505 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)(C)C(N)=O ZINC000653712860 411228736 /nfs/dbraw/zinc/22/87/36/411228736.db2.gz VBXUYYOHLDJIAC-SECBINFHSA-N 2 2 231.340 -0.505 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)C(C)(C)C(N)=O ZINC000653712860 411228733 /nfs/dbraw/zinc/22/87/33/411228733.db2.gz VBXUYYOHLDJIAC-SECBINFHSA-N 2 2 231.340 -0.505 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)C(C)(C)C(N)=O ZINC000653712865 411228539 /nfs/dbraw/zinc/22/85/39/411228539.db2.gz VBXUYYOHLDJIAC-VIFPVBQESA-N 2 2 231.340 -0.505 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+](C)C(C)(C)C(N)=O ZINC000653712865 411228536 /nfs/dbraw/zinc/22/85/36/411228536.db2.gz VBXUYYOHLDJIAC-VIFPVBQESA-N 2 2 231.340 -0.505 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)C(C)(C)C(N)=O ZINC000653712865 411228533 /nfs/dbraw/zinc/22/85/33/411228533.db2.gz VBXUYYOHLDJIAC-VIFPVBQESA-N 2 2 231.340 -0.505 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+](C)C(C)(C)C(N)=O ZINC000653712865 411228531 /nfs/dbraw/zinc/22/85/31/411228531.db2.gz VBXUYYOHLDJIAC-VIFPVBQESA-N 2 2 231.340 -0.505 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](O)[C@H]1C ZINC000653750680 411323449 /nfs/dbraw/zinc/32/34/49/411323449.db2.gz NZEXSYHLECJWTI-GRYCIOLGSA-N 2 2 246.351 -0.619 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000653750680 411323448 /nfs/dbraw/zinc/32/34/48/411323448.db2.gz NZEXSYHLECJWTI-GRYCIOLGSA-N 2 2 246.351 -0.619 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)[C@H]1C ZINC000653750680 411323445 /nfs/dbraw/zinc/32/34/45/411323445.db2.gz NZEXSYHLECJWTI-GRYCIOLGSA-N 2 2 246.351 -0.619 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)[C@H]1C ZINC000653750680 411323442 /nfs/dbraw/zinc/32/34/42/411323442.db2.gz NZEXSYHLECJWTI-GRYCIOLGSA-N 2 2 246.351 -0.619 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](O)[C@H]1C ZINC000653750681 411323505 /nfs/dbraw/zinc/32/35/05/411323505.db2.gz NZEXSYHLECJWTI-IJLUTSLNSA-N 2 2 246.351 -0.619 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000653750681 411323504 /nfs/dbraw/zinc/32/35/04/411323504.db2.gz NZEXSYHLECJWTI-IJLUTSLNSA-N 2 2 246.351 -0.619 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)[C@H]1C ZINC000653750681 411323502 /nfs/dbraw/zinc/32/35/02/411323502.db2.gz NZEXSYHLECJWTI-IJLUTSLNSA-N 2 2 246.351 -0.619 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)[C@H]1C ZINC000653750681 411323500 /nfs/dbraw/zinc/32/35/00/411323500.db2.gz NZEXSYHLECJWTI-IJLUTSLNSA-N 2 2 246.351 -0.619 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1COC[C@H]1OC ZINC000653776021 411165894 /nfs/dbraw/zinc/16/58/94/411165894.db2.gz OEDNPWJFVCFHNW-GMTAPVOTSA-N 2 2 232.324 -0.698 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1COC[C@H]1OC ZINC000653776021 411165892 /nfs/dbraw/zinc/16/58/92/411165892.db2.gz OEDNPWJFVCFHNW-GMTAPVOTSA-N 2 2 232.324 -0.698 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1COC[C@H]1OC ZINC000653776022 411165768 /nfs/dbraw/zinc/16/57/68/411165768.db2.gz OEDNPWJFVCFHNW-HBNTYKKESA-N 2 2 232.324 -0.698 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1COC[C@H]1OC ZINC000653776022 411165765 /nfs/dbraw/zinc/16/57/65/411165765.db2.gz OEDNPWJFVCFHNW-HBNTYKKESA-N 2 2 232.324 -0.698 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](O)C[C@@H]1COC ZINC000653778681 488181872 /nfs/dbraw/zinc/18/18/72/488181872.db2.gz KSUXQHVROSVDCS-IJLUTSLNSA-N 2 2 246.351 -0.619 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](O)C[C@@H]1COC ZINC000653778681 488181868 /nfs/dbraw/zinc/18/18/68/488181868.db2.gz KSUXQHVROSVDCS-IJLUTSLNSA-N 2 2 246.351 -0.619 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)C[C@@H]1COC ZINC000653778681 488181867 /nfs/dbraw/zinc/18/18/67/488181867.db2.gz KSUXQHVROSVDCS-IJLUTSLNSA-N 2 2 246.351 -0.619 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)C[C@@H]1COC ZINC000653778681 488181863 /nfs/dbraw/zinc/18/18/63/488181863.db2.gz KSUXQHVROSVDCS-IJLUTSLNSA-N 2 2 246.351 -0.619 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](O)C[C@H]1COC ZINC000653778683 488181441 /nfs/dbraw/zinc/18/14/41/488181441.db2.gz KSUXQHVROSVDCS-QJPTWQEYSA-N 2 2 246.351 -0.619 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](O)C[C@H]1COC ZINC000653778683 488181436 /nfs/dbraw/zinc/18/14/36/488181436.db2.gz KSUXQHVROSVDCS-QJPTWQEYSA-N 2 2 246.351 -0.619 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)C[C@H]1COC ZINC000653778683 488181432 /nfs/dbraw/zinc/18/14/32/488181432.db2.gz KSUXQHVROSVDCS-QJPTWQEYSA-N 2 2 246.351 -0.619 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)C[C@H]1COC ZINC000653778683 488181428 /nfs/dbraw/zinc/18/14/28/488181428.db2.gz KSUXQHVROSVDCS-QJPTWQEYSA-N 2 2 246.351 -0.619 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@H]1COC ZINC000653778685 488181321 /nfs/dbraw/zinc/18/13/21/488181321.db2.gz KSUXQHVROSVDCS-TUAOUCFPSA-N 2 2 246.351 -0.619 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@H]1COC ZINC000653778685 488181317 /nfs/dbraw/zinc/18/13/17/488181317.db2.gz KSUXQHVROSVDCS-TUAOUCFPSA-N 2 2 246.351 -0.619 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@H]1COC ZINC000653778685 488181313 /nfs/dbraw/zinc/18/13/13/488181313.db2.gz KSUXQHVROSVDCS-TUAOUCFPSA-N 2 2 246.351 -0.619 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@H]1COC ZINC000653778685 488181310 /nfs/dbraw/zinc/18/13/10/488181310.db2.gz KSUXQHVROSVDCS-TUAOUCFPSA-N 2 2 246.351 -0.619 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@@H]1COC ZINC000653778687 488181958 /nfs/dbraw/zinc/18/19/58/488181958.db2.gz KSUXQHVROSVDCS-UTUOFQBUSA-N 2 2 246.351 -0.619 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@@H]1COC ZINC000653778687 488181953 /nfs/dbraw/zinc/18/19/53/488181953.db2.gz KSUXQHVROSVDCS-UTUOFQBUSA-N 2 2 246.351 -0.619 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@@H]1COC ZINC000653778687 488181949 /nfs/dbraw/zinc/18/19/49/488181949.db2.gz KSUXQHVROSVDCS-UTUOFQBUSA-N 2 2 246.351 -0.619 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@@H]1COC ZINC000653778687 488181946 /nfs/dbraw/zinc/18/19/46/488181946.db2.gz KSUXQHVROSVDCS-UTUOFQBUSA-N 2 2 246.351 -0.619 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)CCO ZINC000653780029 411169650 /nfs/dbraw/zinc/16/96/50/411169650.db2.gz QENRAORBFAHSQQ-NEPJUHHUSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)CCO ZINC000653780029 411169648 /nfs/dbraw/zinc/16/96/48/411169648.db2.gz QENRAORBFAHSQQ-NEPJUHHUSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)CCO ZINC000653780029 411169646 /nfs/dbraw/zinc/16/96/46/411169646.db2.gz QENRAORBFAHSQQ-NEPJUHHUSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)CCO ZINC000653780029 411169644 /nfs/dbraw/zinc/16/96/44/411169644.db2.gz QENRAORBFAHSQQ-NEPJUHHUSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)CCO ZINC000653780030 411169360 /nfs/dbraw/zinc/16/93/60/411169360.db2.gz QENRAORBFAHSQQ-NWDGAFQWSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)CCO ZINC000653780030 411169358 /nfs/dbraw/zinc/16/93/58/411169358.db2.gz QENRAORBFAHSQQ-NWDGAFQWSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)CCO ZINC000653780030 411169356 /nfs/dbraw/zinc/16/93/56/411169356.db2.gz QENRAORBFAHSQQ-NWDGAFQWSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)CCO ZINC000653780030 411169353 /nfs/dbraw/zinc/16/93/53/411169353.db2.gz QENRAORBFAHSQQ-NWDGAFQWSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)CCO ZINC000653780031 411169210 /nfs/dbraw/zinc/16/92/10/411169210.db2.gz QENRAORBFAHSQQ-RYUDHWBXSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)CCO ZINC000653780031 411169207 /nfs/dbraw/zinc/16/92/07/411169207.db2.gz QENRAORBFAHSQQ-RYUDHWBXSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)CCO ZINC000653780031 411169204 /nfs/dbraw/zinc/16/92/04/411169204.db2.gz QENRAORBFAHSQQ-RYUDHWBXSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)CCO ZINC000653780031 411169199 /nfs/dbraw/zinc/16/91/99/411169199.db2.gz QENRAORBFAHSQQ-RYUDHWBXSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)CCO ZINC000653780032 411169405 /nfs/dbraw/zinc/16/94/05/411169405.db2.gz QENRAORBFAHSQQ-VXGBXAGGSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)CCO ZINC000653780032 411169403 /nfs/dbraw/zinc/16/94/03/411169403.db2.gz QENRAORBFAHSQQ-VXGBXAGGSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)CCO ZINC000653780032 411169401 /nfs/dbraw/zinc/16/94/01/411169401.db2.gz QENRAORBFAHSQQ-VXGBXAGGSA-N 2 2 248.367 -0.372 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)CCO ZINC000653780032 411169398 /nfs/dbraw/zinc/16/93/98/411169398.db2.gz QENRAORBFAHSQQ-VXGBXAGGSA-N 2 2 248.367 -0.372 20 0 BBADLP c1cn(CC[N@H+]2CCn3nncc3C2)c[nH+]1 ZINC000653793582 411179559 /nfs/dbraw/zinc/17/95/59/411179559.db2.gz QBHYDBFMGGKNKF-UHFFFAOYSA-N 2 2 218.264 -0.010 20 0 BBADLP c1cn(CC[N@@H+]2CCn3nncc3C2)c[nH+]1 ZINC000653793582 411179556 /nfs/dbraw/zinc/17/95/56/411179556.db2.gz QBHYDBFMGGKNKF-UHFFFAOYSA-N 2 2 218.264 -0.010 20 0 BBADLP O[C@@H]1C[C@H]2CN(Cc3c[nH+]c[nH]3)CC[N@H+]2C1 ZINC000653829609 487594243 /nfs/dbraw/zinc/59/42/43/487594243.db2.gz NLTFQZJAUZSKOU-WDEREUQCSA-N 2 2 222.292 -0.340 20 0 BBADLP O[C@@H]1C[C@H]2CN(Cc3c[nH+]c[nH]3)CC[N@@H+]2C1 ZINC000653829609 487594237 /nfs/dbraw/zinc/59/42/37/487594237.db2.gz NLTFQZJAUZSKOU-WDEREUQCSA-N 2 2 222.292 -0.340 20 0 BBADLP O[C@@H]1C[C@H]2CN(Cc3c[nH]c[nH+]3)CC[N@H+]2C1 ZINC000653829609 487594231 /nfs/dbraw/zinc/59/42/31/487594231.db2.gz NLTFQZJAUZSKOU-WDEREUQCSA-N 2 2 222.292 -0.340 20 0 BBADLP O[C@@H]1C[C@H]2CN(Cc3c[nH]c[nH+]3)CC[N@@H+]2C1 ZINC000653829609 487594220 /nfs/dbraw/zinc/59/42/20/487594220.db2.gz NLTFQZJAUZSKOU-WDEREUQCSA-N 2 2 222.292 -0.340 20 0 BBADLP C[C@@H](C(=O)N1CC[N@@H+](CCO)C[C@H]1C)[NH+](C)C ZINC000654553638 411412132 /nfs/dbraw/zinc/41/21/32/411412132.db2.gz KUXLUJVWZZGEJA-MNOVXSKESA-N 2 2 243.351 -0.539 20 0 BBADLP C[C@@H](C(=O)N1CC[N@H+](CCO)C[C@H]1C)[NH+](C)C ZINC000654553638 411412131 /nfs/dbraw/zinc/41/21/31/411412131.db2.gz KUXLUJVWZZGEJA-MNOVXSKESA-N 2 2 243.351 -0.539 20 0 BBADLP C[C@@H](C(=O)N1CC[N@@H+](CCO)C[C@@H]1C)[NH+](C)C ZINC000654553639 411412074 /nfs/dbraw/zinc/41/20/74/411412074.db2.gz KUXLUJVWZZGEJA-QWRGUYRKSA-N 2 2 243.351 -0.539 20 0 BBADLP C[C@@H](C(=O)N1CC[N@H+](CCO)C[C@@H]1C)[NH+](C)C ZINC000654553639 411412072 /nfs/dbraw/zinc/41/20/72/411412072.db2.gz KUXLUJVWZZGEJA-QWRGUYRKSA-N 2 2 243.351 -0.539 20 0 BBADLP [NH3+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655410634 410213345 /nfs/dbraw/zinc/21/33/45/410213345.db2.gz GRPCWIJDODGHOW-MRVPVSSYSA-N 2 2 208.265 -0.480 20 0 BBADLP [NH3+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655410635 410213514 /nfs/dbraw/zinc/21/35/14/410213514.db2.gz GRPCWIJDODGHOW-QMMMGPOBSA-N 2 2 208.265 -0.480 20 0 BBADLP [NH3+]CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655410970 410213038 /nfs/dbraw/zinc/21/30/38/410213038.db2.gz LLSPNIJYRGZONE-SECBINFHSA-N 2 2 222.292 -0.090 20 0 BBADLP [NH3+]CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655410971 410213657 /nfs/dbraw/zinc/21/36/57/410213657.db2.gz LLSPNIJYRGZONE-VIFPVBQESA-N 2 2 222.292 -0.090 20 0 BBADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[NH2+]CC1 ZINC000655411389 410216466 /nfs/dbraw/zinc/21/64/66/410216466.db2.gz SHRHJGPQLJPMBZ-JTQLQIEISA-N 2 2 234.303 -0.123 20 0 BBADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[NH2+]CC1 ZINC000655411390 410216317 /nfs/dbraw/zinc/21/63/17/410216317.db2.gz SHRHJGPQLJPMBZ-SNVBAGLBSA-N 2 2 234.303 -0.123 20 0 BBADLP O=C(N[C@H]1CC[NH2+]C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000655413352 410216541 /nfs/dbraw/zinc/21/65/41/410216541.db2.gz VQLVDGFJLPRVHP-UWVGGRQHSA-N 2 2 234.303 -0.076 20 0 BBADLP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655413353 410216712 /nfs/dbraw/zinc/21/67/12/410216712.db2.gz VQLVDGFJLPRVHP-ZJUUUORDSA-N 2 2 234.303 -0.076 20 0 BBADLP C[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655416323 410221108 /nfs/dbraw/zinc/22/11/08/410221108.db2.gz PRIUPGXTDRLRHB-SECBINFHSA-N 2 2 222.292 -0.219 20 0 BBADLP C[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655416324 410222370 /nfs/dbraw/zinc/22/23/70/410222370.db2.gz PRIUPGXTDRLRHB-VIFPVBQESA-N 2 2 222.292 -0.219 20 0 BBADLP C[N@H+]1CCN(C(=O)CC[NH2+]C2CC2)[C@H](C[NH3+])C1 ZINC000655419059 410226938 /nfs/dbraw/zinc/22/69/38/410226938.db2.gz KSFXXNLAPCXGAV-LLVKDONJSA-N 3 2 240.351 -0.770 20 0 BBADLP C[N@@H+]1CCN(C(=O)CC[NH2+]C2CC2)[C@H](C[NH3+])C1 ZINC000655419059 410226936 /nfs/dbraw/zinc/22/69/36/410226936.db2.gz KSFXXNLAPCXGAV-LLVKDONJSA-N 3 2 240.351 -0.770 20 0 BBADLP C[N@H+]1CCN(C(=O)CC[NH2+]C2CC2)[C@@H](C[NH3+])C1 ZINC000655419060 410227371 /nfs/dbraw/zinc/22/73/71/410227371.db2.gz KSFXXNLAPCXGAV-NSHDSACASA-N 3 2 240.351 -0.770 20 0 BBADLP C[N@@H+]1CCN(C(=O)CC[NH2+]C2CC2)[C@@H](C[NH3+])C1 ZINC000655419060 410227365 /nfs/dbraw/zinc/22/73/65/410227365.db2.gz KSFXXNLAPCXGAV-NSHDSACASA-N 3 2 240.351 -0.770 20 0 BBADLP C[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000655446730 410269841 /nfs/dbraw/zinc/26/98/41/410269841.db2.gz KCPFPAXPCPRABU-JTQLQIEISA-N 2 2 243.351 -0.179 20 0 BBADLP C[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000655446730 410269836 /nfs/dbraw/zinc/26/98/36/410269836.db2.gz KCPFPAXPCPRABU-JTQLQIEISA-N 2 2 243.351 -0.179 20 0 BBADLP C[C@H](C[NH3+])NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655454158 410325270 /nfs/dbraw/zinc/32/52/70/410325270.db2.gz YTEICGOWAVITRB-BDAKNGLRSA-N 2 2 222.292 -0.091 20 0 BBADLP C[C@H](C[NH3+])NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655454159 410325242 /nfs/dbraw/zinc/32/52/42/410325242.db2.gz YTEICGOWAVITRB-RKDXNWHRSA-N 2 2 222.292 -0.091 20 0 BBADLP C[C@@H]([NH3+])CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655460281 410571024 /nfs/dbraw/zinc/57/10/24/410571024.db2.gz ZLNVCZHRLDLHGI-BDAKNGLRSA-N 2 2 222.292 -0.091 20 0 BBADLP C[C@H]([NH3+])CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655460282 410571842 /nfs/dbraw/zinc/57/18/42/410571842.db2.gz ZLNVCZHRLDLHGI-DTWKUNHWSA-N 2 2 222.292 -0.091 20 0 BBADLP C[C@H]([NH3+])CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655460283 410571459 /nfs/dbraw/zinc/57/14/59/410571459.db2.gz ZLNVCZHRLDLHGI-IUCAKERBSA-N 2 2 222.292 -0.091 20 0 BBADLP C[C@@H]([NH3+])CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655460284 410571642 /nfs/dbraw/zinc/57/16/42/410571642.db2.gz ZLNVCZHRLDLHGI-RKDXNWHRSA-N 2 2 222.292 -0.091 20 0 BBADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655463604 410644861 /nfs/dbraw/zinc/64/48/61/410644861.db2.gz RXXFZIPOVVNTOW-SVDPJWKOSA-N 2 2 246.314 -0.221 20 0 BBADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CCc2[nH+]ccn2C1 ZINC000655463605 410644525 /nfs/dbraw/zinc/64/45/25/410644525.db2.gz RXXFZIPOVVNTOW-UXCLJVHYSA-N 2 2 246.314 -0.221 20 0 BBADLP CN(CC[NH3+])C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655478943 410712643 /nfs/dbraw/zinc/71/26/43/410712643.db2.gz FEZOOGDBVKKUIG-SECBINFHSA-N 2 2 222.292 -0.137 20 0 BBADLP CN(CC[NH3+])C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655478944 410712427 /nfs/dbraw/zinc/71/24/27/410712427.db2.gz FEZOOGDBVKKUIG-VIFPVBQESA-N 2 2 222.292 -0.137 20 0 BBADLP C[NH2+]CC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488881 410800085 /nfs/dbraw/zinc/80/00/85/410800085.db2.gz IBKIUZFRQCSSJX-GARJFASQSA-N 2 2 243.351 -0.180 20 0 BBADLP C[NH2+]CC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488881 410800079 /nfs/dbraw/zinc/80/00/79/410800079.db2.gz IBKIUZFRQCSSJX-GARJFASQSA-N 2 2 243.351 -0.180 20 0 BBADLP C[NH2+]CC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488887 410800397 /nfs/dbraw/zinc/80/03/97/410800397.db2.gz IBKIUZFRQCSSJX-MXWKQRLJSA-N 2 2 243.351 -0.180 20 0 BBADLP C[NH2+]CC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488887 410800390 /nfs/dbraw/zinc/80/03/90/410800390.db2.gz IBKIUZFRQCSSJX-MXWKQRLJSA-N 2 2 243.351 -0.180 20 0 BBADLP COCC1(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000655490400 410807952 /nfs/dbraw/zinc/80/79/52/410807952.db2.gz KFNNAIOJIBBVOQ-JTQLQIEISA-N 2 2 243.351 -0.192 20 0 BBADLP COCC1(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000655490401 410808198 /nfs/dbraw/zinc/80/81/98/410808198.db2.gz KFNNAIOJIBBVOQ-SNVBAGLBSA-N 2 2 243.351 -0.192 20 0 BBADLP CO[C@](C)(CO)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000655785903 411228294 /nfs/dbraw/zinc/22/82/94/411228294.db2.gz OTTQSNXWQNQWEX-AXFHLTTASA-N 2 2 216.325 -0.077 20 0 BBADLP CO[C@](C)(CO)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000655785903 411228293 /nfs/dbraw/zinc/22/82/93/411228293.db2.gz OTTQSNXWQNQWEX-AXFHLTTASA-N 2 2 216.325 -0.077 20 0 BBADLP CO[C@](C)(CO)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000655785904 411228278 /nfs/dbraw/zinc/22/82/78/411228278.db2.gz OTTQSNXWQNQWEX-DCAQKATOSA-N 2 2 216.325 -0.077 20 0 BBADLP CO[C@](C)(CO)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000655785904 411228277 /nfs/dbraw/zinc/22/82/77/411228277.db2.gz OTTQSNXWQNQWEX-DCAQKATOSA-N 2 2 216.325 -0.077 20 0 BBADLP CO[C@](C)(CO)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000655785905 411227725 /nfs/dbraw/zinc/22/77/25/411227725.db2.gz OTTQSNXWQNQWEX-MXWKQRLJSA-N 2 2 216.325 -0.077 20 0 BBADLP CO[C@](C)(CO)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000655785905 411227722 /nfs/dbraw/zinc/22/77/22/411227722.db2.gz OTTQSNXWQNQWEX-MXWKQRLJSA-N 2 2 216.325 -0.077 20 0 BBADLP CO[C@](C)(CO)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000655785906 411228151 /nfs/dbraw/zinc/22/81/51/411228151.db2.gz OTTQSNXWQNQWEX-VWYCJHECSA-N 2 2 216.325 -0.077 20 0 BBADLP CO[C@](C)(CO)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000655785906 411228148 /nfs/dbraw/zinc/22/81/48/411228148.db2.gz OTTQSNXWQNQWEX-VWYCJHECSA-N 2 2 216.325 -0.077 20 0 BBADLP Cn1cnnc1N1CC[NH+](CCC[NH3+])CC1 ZINC000655945293 411161355 /nfs/dbraw/zinc/16/13/55/411161355.db2.gz AHJGWKAPAAADGV-UHFFFAOYSA-N 2 2 224.312 -0.714 20 0 BBADLP C[NH2+]CCC[NH+]1CCN(c2nncn2C)CC1 ZINC000655947299 411161440 /nfs/dbraw/zinc/16/14/40/411161440.db2.gz QUFXMTDWYPXSFK-UHFFFAOYSA-N 2 2 238.339 -0.453 20 0 BBADLP Cc1noc(C[N@@H+](C)CCOCC[NH3+])n1 ZINC000655948817 411161774 /nfs/dbraw/zinc/16/17/74/411161774.db2.gz FAZORKOCLHCRTN-UHFFFAOYSA-N 2 2 214.269 -0.215 20 0 BBADLP Cc1noc(C[N@H+](C)CCOCC[NH3+])n1 ZINC000655948817 411161771 /nfs/dbraw/zinc/16/17/71/411161771.db2.gz FAZORKOCLHCRTN-UHFFFAOYSA-N 2 2 214.269 -0.215 20 0 BBADLP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000656198411 411203346 /nfs/dbraw/zinc/20/33/46/411203346.db2.gz UROANMCYANUOLW-GARJFASQSA-N 3 2 215.341 -0.232 20 0 BBADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656198413 411203266 /nfs/dbraw/zinc/20/32/66/411203266.db2.gz UROANMCYANUOLW-GMTAPVOTSA-N 3 2 215.341 -0.232 20 0 BBADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000656198414 411202898 /nfs/dbraw/zinc/20/28/98/411202898.db2.gz UROANMCYANUOLW-HBNTYKKESA-N 3 2 215.341 -0.232 20 0 BBADLP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000656198415 411202842 /nfs/dbraw/zinc/20/28/42/411202842.db2.gz UROANMCYANUOLW-OUAUKWLOSA-N 3 2 215.341 -0.232 20 0 BBADLP [NH3+]CCCn1cc(CC[NH+]2CCOCC2)nn1 ZINC000656436316 411248672 /nfs/dbraw/zinc/24/86/72/411248672.db2.gz XBFZSVXMSZBMOF-UHFFFAOYSA-N 2 2 239.323 -0.498 20 0 BBADLP C[NH+](C)CCCn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000656437149 411248767 /nfs/dbraw/zinc/24/87/67/411248767.db2.gz IOFPKJHFRPAPBN-LLVKDONJSA-N 2 2 239.323 -0.109 20 0 BBADLP C[NH+](C)CCCn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000656437150 411248421 /nfs/dbraw/zinc/24/84/21/411248421.db2.gz IOFPKJHFRPAPBN-NSHDSACASA-N 2 2 239.323 -0.109 20 0 BBADLP C[C@H]([NH3+])Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000656456845 411265470 /nfs/dbraw/zinc/26/54/70/411265470.db2.gz LWQJMVGOHKVRRI-JTQLQIEISA-N 2 2 239.323 -0.500 20 0 BBADLP C[C@@H](C[NH3+])n1cc(CC[NH+]2CCOCC2)nn1 ZINC000656458414 411267630 /nfs/dbraw/zinc/26/76/30/411267630.db2.gz ZIHJWZZNHOLOFB-JTQLQIEISA-N 2 2 239.323 -0.328 20 0 BBADLP C[C@H](C[NH3+])n1cc(CC[NH+]2CCOCC2)nn1 ZINC000656458415 411268363 /nfs/dbraw/zinc/26/83/63/411268363.db2.gz ZIHJWZZNHOLOFB-SNVBAGLBSA-N 2 2 239.323 -0.328 20 0 BBADLP C[NH2+]Cc1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000656459235 411269799 /nfs/dbraw/zinc/26/97/99/411269799.db2.gz RFVWKSQDXBODQR-UHFFFAOYSA-N 2 2 219.248 -0.126 20 0 BBADLP [NH3+]CCOCc1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000656459258 411268896 /nfs/dbraw/zinc/26/88/96/411268896.db2.gz RZXXVJNJUGCTBT-UHFFFAOYSA-N 2 2 249.274 -0.370 20 0 BBADLP C[C@@H]([NH3+])Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000656463262 411270737 /nfs/dbraw/zinc/27/07/37/411270737.db2.gz LWQJMVGOHKVRRI-SNVBAGLBSA-N 2 2 239.323 -0.500 20 0 BBADLP COCC[N@@H+](C)Cc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000656467610 411279731 /nfs/dbraw/zinc/27/97/31/411279731.db2.gz QJDPWQUBWNGTNZ-LLVKDONJSA-N 2 2 239.323 -0.109 20 0 BBADLP COCC[N@H+](C)Cc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000656467610 411279730 /nfs/dbraw/zinc/27/97/30/411279730.db2.gz QJDPWQUBWNGTNZ-LLVKDONJSA-N 2 2 239.323 -0.109 20 0 BBADLP COCC[N@@H+](C)Cc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000656467612 411279939 /nfs/dbraw/zinc/27/99/39/411279939.db2.gz QJDPWQUBWNGTNZ-NSHDSACASA-N 2 2 239.323 -0.109 20 0 BBADLP COCC[N@H+](C)Cc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000656467612 411279937 /nfs/dbraw/zinc/27/99/37/411279937.db2.gz QJDPWQUBWNGTNZ-NSHDSACASA-N 2 2 239.323 -0.109 20 0 BBADLP C[C@@H]1C[N@@H+](CCNC(N)=[NH2+])[C@H](C)CO1 ZINC000656508455 411288781 /nfs/dbraw/zinc/28/87/81/411288781.db2.gz FXQUOKWIMVGMQQ-HTQZYQBOSA-N 2 2 200.286 -0.421 20 0 BBADLP C[C@@H]1C[N@H+](CCNC(N)=[NH2+])[C@H](C)CO1 ZINC000656508455 411288779 /nfs/dbraw/zinc/28/87/79/411288779.db2.gz FXQUOKWIMVGMQQ-HTQZYQBOSA-N 2 2 200.286 -0.421 20 0 BBADLP C[C@@H]1C[N@@H+](CCNC(N)=[NH2+])[C@@H](C)CO1 ZINC000656508456 411288855 /nfs/dbraw/zinc/28/88/55/411288855.db2.gz FXQUOKWIMVGMQQ-JGVFFNPUSA-N 2 2 200.286 -0.421 20 0 BBADLP C[C@@H]1C[N@H+](CCNC(N)=[NH2+])[C@@H](C)CO1 ZINC000656508456 411288853 /nfs/dbraw/zinc/28/88/53/411288853.db2.gz FXQUOKWIMVGMQQ-JGVFFNPUSA-N 2 2 200.286 -0.421 20 0 BBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(N)=[NH2+] ZINC000656508457 411288891 /nfs/dbraw/zinc/28/88/91/411288891.db2.gz FXQUOKWIMVGMQQ-SFYZADRCSA-N 2 2 200.286 -0.421 20 0 BBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(N)=[NH2+] ZINC000656508457 411288889 /nfs/dbraw/zinc/28/88/89/411288889.db2.gz FXQUOKWIMVGMQQ-SFYZADRCSA-N 2 2 200.286 -0.421 20 0 BBADLP C[C@H]1C[N@@H+](CCNC(N)=[NH2+])[C@@H](C)CO1 ZINC000656508458 411288624 /nfs/dbraw/zinc/28/86/24/411288624.db2.gz FXQUOKWIMVGMQQ-YUMQZZPRSA-N 2 2 200.286 -0.421 20 0 BBADLP C[C@H]1C[N@H+](CCNC(N)=[NH2+])[C@@H](C)CO1 ZINC000656508458 411288623 /nfs/dbraw/zinc/28/86/23/411288623.db2.gz FXQUOKWIMVGMQQ-YUMQZZPRSA-N 2 2 200.286 -0.421 20 0 BBADLP CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000656542620 411290397 /nfs/dbraw/zinc/29/03/97/411290397.db2.gz JXHTXNCSQGZAOG-UHFFFAOYSA-N 2 2 216.329 -0.201 20 0 BBADLP CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000656542620 411290395 /nfs/dbraw/zinc/29/03/95/411290395.db2.gz JXHTXNCSQGZAOG-UHFFFAOYSA-N 2 2 216.329 -0.201 20 0 BBADLP C[NH+](C)CCC[N@@H+](C)CCNC(N)=O ZINC000656543336 411299411 /nfs/dbraw/zinc/29/94/11/411299411.db2.gz PTWZZTPBGVZEJK-UHFFFAOYSA-N 2 2 202.302 -0.462 20 0 BBADLP C[NH+](C)CCC[N@H+](C)CCNC(N)=O ZINC000656543336 411299410 /nfs/dbraw/zinc/29/94/10/411299410.db2.gz PTWZZTPBGVZEJK-UHFFFAOYSA-N 2 2 202.302 -0.462 20 0 BBADLP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](CCC[NH3+])C[C@H]21 ZINC000656792142 411372207 /nfs/dbraw/zinc/37/22/07/411372207.db2.gz OKCDCHOECUEWKR-AEJSXWLSSA-N 2 2 248.348 -0.921 20 0 BBADLP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CCC[NH3+])C[C@H]21 ZINC000656792142 411372204 /nfs/dbraw/zinc/37/22/04/411372204.db2.gz OKCDCHOECUEWKR-AEJSXWLSSA-N 2 2 248.348 -0.921 20 0 BBADLP C[C@@H]1C[N@@H+](CCC[NH3+])CCN1S(C)(=O)=O ZINC000656792670 411371905 /nfs/dbraw/zinc/37/19/05/411371905.db2.gz VHYZKMLOKWPCIU-SECBINFHSA-N 2 2 235.353 -0.699 20 0 BBADLP C[C@@H]1C[N@H+](CCC[NH3+])CCN1S(C)(=O)=O ZINC000656792670 411371899 /nfs/dbraw/zinc/37/18/99/411371899.db2.gz VHYZKMLOKWPCIU-SECBINFHSA-N 2 2 235.353 -0.699 20 0 BBADLP CCNC(=O)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000657292765 411453052 /nfs/dbraw/zinc/45/30/52/411453052.db2.gz RXFWSSKBHRJGAY-UHFFFAOYSA-N 2 2 210.281 -0.046 20 0 BBADLP OCCOCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657292827 411453667 /nfs/dbraw/zinc/45/36/67/411453667.db2.gz POFSDEQQSOZUPB-UHFFFAOYSA-N 2 2 225.292 -0.072 20 0 BBADLP Cc1[nH+]cc(C[NH2+]C[C@](C)(O)CO)n1C ZINC000657457072 411520506 /nfs/dbraw/zinc/52/05/06/411520506.db2.gz DSKFYTIHEUSFDP-JTQLQIEISA-N 2 2 213.281 -0.439 20 0 BBADLP Cc1[nH+]cc(C[NH2+]C[C@@](C)(O)CO)n1C ZINC000657457073 411520856 /nfs/dbraw/zinc/52/08/56/411520856.db2.gz DSKFYTIHEUSFDP-SNVBAGLBSA-N 2 2 213.281 -0.439 20 0 BBADLP C[C@](O)(CO)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657457878 411520337 /nfs/dbraw/zinc/52/03/37/411520337.db2.gz UJNBFIVMFHVZGA-LLVKDONJSA-N 2 2 225.292 -0.338 20 0 BBADLP C[C@@](O)(CO)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657457879 411520929 /nfs/dbraw/zinc/52/09/29/411520929.db2.gz UJNBFIVMFHVZGA-NSHDSACASA-N 2 2 225.292 -0.338 20 0 BBADLP O[C@@H]1COC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657483799 411528973 /nfs/dbraw/zinc/52/89/73/411528973.db2.gz OVGYPABKFCTUQH-NXEZZACHSA-N 2 2 223.276 -0.321 20 0 BBADLP C[C@@H](O)[C@@H](CO)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657491000 411531539 /nfs/dbraw/zinc/53/15/39/411531539.db2.gz TZSNLKDFRKVLFB-PSASIEDQSA-N 2 2 225.292 -0.339 20 0 BBADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCNC2=O)n1C ZINC000657523007 411540828 /nfs/dbraw/zinc/54/08/28/411540828.db2.gz JFGBSIHBJYSIGO-VIFPVBQESA-N 2 2 237.307 -0.536 20 0 BBADLP COCC[N@H+]1CC[C@@H]([NH2+]C/C=C/CO)C1 ZINC000657594763 411560689 /nfs/dbraw/zinc/56/06/89/411560689.db2.gz UCTWRJSQWJJMNQ-KXMPLOMGSA-N 2 2 214.309 -0.155 20 0 BBADLP COCC[N@@H+]1CC[C@@H]([NH2+]C/C=C/CO)C1 ZINC000657594763 411560688 /nfs/dbraw/zinc/56/06/88/411560688.db2.gz UCTWRJSQWJJMNQ-KXMPLOMGSA-N 2 2 214.309 -0.155 20 0 BBADLP COCC[N@H+]1CC[C@@H]([NH2+]C/C=C\CO)C1 ZINC000657594764 411560443 /nfs/dbraw/zinc/56/04/43/411560443.db2.gz UCTWRJSQWJJMNQ-OTDNITJGSA-N 2 2 214.309 -0.155 20 0 BBADLP COCC[N@@H+]1CC[C@@H]([NH2+]C/C=C\CO)C1 ZINC000657594764 411560442 /nfs/dbraw/zinc/56/04/42/411560442.db2.gz UCTWRJSQWJJMNQ-OTDNITJGSA-N 2 2 214.309 -0.155 20 0 BBADLP COCC[N@H+]1CC[C@H]([NH2+]C/C=C\CO)C1 ZINC000657594765 411560417 /nfs/dbraw/zinc/56/04/17/411560417.db2.gz UCTWRJSQWJJMNQ-QUCGXOGASA-N 2 2 214.309 -0.155 20 0 BBADLP COCC[N@@H+]1CC[C@H]([NH2+]C/C=C\CO)C1 ZINC000657594765 411560416 /nfs/dbraw/zinc/56/04/16/411560416.db2.gz UCTWRJSQWJJMNQ-QUCGXOGASA-N 2 2 214.309 -0.155 20 0 BBADLP COCC[N@H+]1CC[C@H]([NH2+]C/C=C/CO)C1 ZINC000657594766 411560694 /nfs/dbraw/zinc/56/06/94/411560694.db2.gz UCTWRJSQWJJMNQ-VUDBWIFFSA-N 2 2 214.309 -0.155 20 0 BBADLP COCC[N@@H+]1CC[C@H]([NH2+]C/C=C/CO)C1 ZINC000657594766 411560693 /nfs/dbraw/zinc/56/06/93/411560693.db2.gz UCTWRJSQWJJMNQ-VUDBWIFFSA-N 2 2 214.309 -0.155 20 0 BBADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000657712705 411586024 /nfs/dbraw/zinc/58/60/24/411586024.db2.gz ZRLJIIAEHGNOBX-GUBZILKMSA-N 2 2 211.309 -0.195 20 0 BBADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000657712705 411586023 /nfs/dbraw/zinc/58/60/23/411586023.db2.gz ZRLJIIAEHGNOBX-GUBZILKMSA-N 2 2 211.309 -0.195 20 0 BBADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000657712706 411586192 /nfs/dbraw/zinc/58/61/92/411586192.db2.gz ZRLJIIAEHGNOBX-LPEHRKFASA-N 2 2 211.309 -0.195 20 0 BBADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000657712706 411586191 /nfs/dbraw/zinc/58/61/91/411586191.db2.gz ZRLJIIAEHGNOBX-LPEHRKFASA-N 2 2 211.309 -0.195 20 0 BBADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)Cn1cncn1 ZINC000657979828 411187542 /nfs/dbraw/zinc/18/75/42/411187542.db2.gz SHMISJRTQYCVLG-LLVKDONJSA-N 2 2 241.339 -0.430 20 0 BBADLP CC[N@H+](CCO)CC[NH2+][C@H](C)Cn1cncn1 ZINC000657979828 411187541 /nfs/dbraw/zinc/18/75/41/411187541.db2.gz SHMISJRTQYCVLG-LLVKDONJSA-N 2 2 241.339 -0.430 20 0 BBADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)Cn1cncn1 ZINC000657979831 411187340 /nfs/dbraw/zinc/18/73/40/411187340.db2.gz SHMISJRTQYCVLG-NSHDSACASA-N 2 2 241.339 -0.430 20 0 BBADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)Cn1cncn1 ZINC000657979831 411187338 /nfs/dbraw/zinc/18/73/38/411187338.db2.gz SHMISJRTQYCVLG-NSHDSACASA-N 2 2 241.339 -0.430 20 0 BBADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCNC2=O)CC[N@H+]1C ZINC000658055173 411220835 /nfs/dbraw/zinc/22/08/35/411220835.db2.gz RYKCEPPIGWXCQW-BBBLOLIVSA-N 2 2 211.309 -0.053 20 0 BBADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCNC2=O)CC[N@@H+]1C ZINC000658055173 411220833 /nfs/dbraw/zinc/22/08/33/411220833.db2.gz RYKCEPPIGWXCQW-BBBLOLIVSA-N 2 2 211.309 -0.053 20 0 BBADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)CC[N@H+]1C ZINC000658055200 411220804 /nfs/dbraw/zinc/22/08/04/411220804.db2.gz RYKCEPPIGWXCQW-UTLUCORTSA-N 2 2 211.309 -0.053 20 0 BBADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)CC[N@@H+]1C ZINC000658055200 411220803 /nfs/dbraw/zinc/22/08/03/411220803.db2.gz RYKCEPPIGWXCQW-UTLUCORTSA-N 2 2 211.309 -0.053 20 0 BBADLP C[C@H](C[NH3+])C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659356998 411401874 /nfs/dbraw/zinc/40/18/74/411401874.db2.gz CHTOHGZCBITOPC-GHMZBOCLSA-N 2 2 241.335 -0.486 20 0 BBADLP C[C@H](C[NH3+])C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659356999 411401862 /nfs/dbraw/zinc/40/18/62/411401862.db2.gz CHTOHGZCBITOPC-MNOVXSKESA-N 2 2 241.335 -0.486 20 0 BBADLP C[C@@H](C[NH3+])C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659357000 411401637 /nfs/dbraw/zinc/40/16/37/411401637.db2.gz CHTOHGZCBITOPC-QWRGUYRKSA-N 2 2 241.335 -0.486 20 0 BBADLP C[C@@H](C[NH3+])C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659357001 411401823 /nfs/dbraw/zinc/40/18/23/411401823.db2.gz CHTOHGZCBITOPC-WDEREUQCSA-N 2 2 241.335 -0.486 20 0 BBADLP [NH3+]C1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000659357217 411402170 /nfs/dbraw/zinc/40/21/70/411402170.db2.gz DWCSXNRIQFLSDX-JTQLQIEISA-N 2 2 239.319 -0.589 20 0 BBADLP [NH3+]C1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000659357218 411402043 /nfs/dbraw/zinc/40/20/43/411402043.db2.gz DWCSXNRIQFLSDX-SNVBAGLBSA-N 2 2 239.319 -0.589 20 0 BBADLP O=C([C@H]1CC[NH2+]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659357720 411374062 /nfs/dbraw/zinc/37/40/62/411374062.db2.gz LQOLKPMAYLXXSD-GHMZBOCLSA-N 2 2 239.319 -0.719 20 0 BBADLP O=C([C@H]1CC[NH2+]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659357733 411374097 /nfs/dbraw/zinc/37/40/97/411374097.db2.gz LQOLKPMAYLXXSD-WDEREUQCSA-N 2 2 239.319 -0.719 20 0 BBADLP C[NH2+]CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659357784 411374264 /nfs/dbraw/zinc/37/42/64/411374264.db2.gz MTQDOPMBLWMBGV-JTQLQIEISA-N 2 2 227.308 -0.861 20 0 BBADLP C[NH2+]CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659357785 411374304 /nfs/dbraw/zinc/37/43/04/411374304.db2.gz MTQDOPMBLWMBGV-SNVBAGLBSA-N 2 2 227.308 -0.861 20 0 BBADLP C[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659358113 411401648 /nfs/dbraw/zinc/40/16/48/411401648.db2.gz PENILMFGIVTGGP-QWRGUYRKSA-N 2 2 241.335 -0.473 20 0 BBADLP C[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659358114 411401612 /nfs/dbraw/zinc/40/16/12/411401612.db2.gz PENILMFGIVTGGP-WDEREUQCSA-N 2 2 241.335 -0.473 20 0 BBADLP C[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659358811 411374810 /nfs/dbraw/zinc/37/48/10/411374810.db2.gz UWLXDWFWGOVCMG-NXEZZACHSA-N 2 2 227.308 -0.733 20 0 BBADLP C[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659358813 411374856 /nfs/dbraw/zinc/37/48/56/411374856.db2.gz UWLXDWFWGOVCMG-UWVGGRQHSA-N 2 2 227.308 -0.733 20 0 BBADLP C[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659358815 411374821 /nfs/dbraw/zinc/37/48/21/411374821.db2.gz UWLXDWFWGOVCMG-VHSXEESVSA-N 2 2 227.308 -0.733 20 0 BBADLP C[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659358818 411374906 /nfs/dbraw/zinc/37/49/06/411374906.db2.gz UWLXDWFWGOVCMG-ZJUUUORDSA-N 2 2 227.308 -0.733 20 0 BBADLP O=C(NCCn1cc[nH+]c1)NCC12CC(C1)C[NH2+]2 ZINC000659427590 411413924 /nfs/dbraw/zinc/41/39/24/411413924.db2.gz GYEXNXCFRMBTFN-UHFFFAOYSA-N 2 2 249.318 -0.066 20 0 BBADLP C[NH2+]C[C@@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000659428386 411413991 /nfs/dbraw/zinc/41/39/91/411413991.db2.gz UWRMTEKNKZBGTH-SECBINFHSA-N 2 2 225.296 -0.210 20 0 BBADLP C[NH2+]C[C@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000659428387 411413997 /nfs/dbraw/zinc/41/39/97/411413997.db2.gz UWRMTEKNKZBGTH-VIFPVBQESA-N 2 2 225.296 -0.210 20 0 BBADLP Cn1cc[nH+]c1CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659449592 411416472 /nfs/dbraw/zinc/41/64/72/411416472.db2.gz KKFWVAKHHJDOAO-UHFFFAOYSA-N 2 2 249.318 -0.029 20 0 BBADLP C[NH2+]C[C@@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000659449673 411416226 /nfs/dbraw/zinc/41/62/26/411416226.db2.gz MWJXDUCCFKGAKU-MRVPVSSYSA-N 2 2 225.296 -0.173 20 0 BBADLP C[NH2+]C[C@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000659449674 411416251 /nfs/dbraw/zinc/41/62/51/411416251.db2.gz MWJXDUCCFKGAKU-QMMMGPOBSA-N 2 2 225.296 -0.173 20 0 BBADLP C[NH2+]C[C@@H](C)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000659503571 411422714 /nfs/dbraw/zinc/42/27/14/411422714.db2.gz RPJXBDSPUDGCEY-SECBINFHSA-N 2 2 239.323 -0.130 20 0 BBADLP C[NH2+]C[C@H](C)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000659503572 411423292 /nfs/dbraw/zinc/42/32/92/411423292.db2.gz RPJXBDSPUDGCEY-VIFPVBQESA-N 2 2 239.323 -0.130 20 0 BBADLP [NH3+]CCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659507343 411424210 /nfs/dbraw/zinc/42/42/10/411424210.db2.gz IMRPPUJDUXEGCE-JTQLQIEISA-N 2 2 242.323 -0.939 20 0 BBADLP [NH3+]CCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659507344 411424369 /nfs/dbraw/zinc/42/43/69/411424369.db2.gz IMRPPUJDUXEGCE-SNVBAGLBSA-N 2 2 242.323 -0.939 20 0 BBADLP C[NH2+]CCNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000659515780 487762414 /nfs/dbraw/zinc/76/24/14/487762414.db2.gz XHCWICHDFWWWOO-MRVPVSSYSA-N 2 2 225.296 0.000 20 0 BBADLP C[NH2+]CCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000659515781 487762540 /nfs/dbraw/zinc/76/25/40/487762540.db2.gz XHCWICHDFWWWOO-QMMMGPOBSA-N 2 2 225.296 0.000 20 0 BBADLP C[C@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1[nH+]ccn1C ZINC000659546356 411433799 /nfs/dbraw/zinc/43/37/99/411433799.db2.gz CDTQXGUQWLBDPL-AXTSPUMRSA-N 2 2 249.318 -0.002 20 0 BBADLP C[C@@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1[nH+]ccn1C ZINC000659546359 411434042 /nfs/dbraw/zinc/43/40/42/411434042.db2.gz CDTQXGUQWLBDPL-IMSYWVGJSA-N 2 2 249.318 -0.002 20 0 BBADLP CO[C@H](C)CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000659569343 411437914 /nfs/dbraw/zinc/43/79/14/411437914.db2.gz HBYVYVUXSVGDHM-NXEZZACHSA-N 2 2 244.339 -0.694 20 0 BBADLP CO[C@H](C)CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000659569343 411437911 /nfs/dbraw/zinc/43/79/11/411437911.db2.gz HBYVYVUXSVGDHM-NXEZZACHSA-N 2 2 244.339 -0.694 20 0 BBADLP CO[C@@H](C)CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000659569344 411437447 /nfs/dbraw/zinc/43/74/47/411437447.db2.gz HBYVYVUXSVGDHM-UWVGGRQHSA-N 2 2 244.339 -0.694 20 0 BBADLP CO[C@@H](C)CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000659569344 411437444 /nfs/dbraw/zinc/43/74/44/411437444.db2.gz HBYVYVUXSVGDHM-UWVGGRQHSA-N 2 2 244.339 -0.694 20 0 BBADLP CO[C@@H](C)CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000659569345 411437727 /nfs/dbraw/zinc/43/77/27/411437727.db2.gz HBYVYVUXSVGDHM-VHSXEESVSA-N 2 2 244.339 -0.694 20 0 BBADLP CO[C@@H](C)CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000659569345 411437724 /nfs/dbraw/zinc/43/77/24/411437724.db2.gz HBYVYVUXSVGDHM-VHSXEESVSA-N 2 2 244.339 -0.694 20 0 BBADLP CO[C@H](C)CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000659569346 411437583 /nfs/dbraw/zinc/43/75/83/411437583.db2.gz HBYVYVUXSVGDHM-ZJUUUORDSA-N 2 2 244.339 -0.694 20 0 BBADLP CO[C@H](C)CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000659569346 411437580 /nfs/dbraw/zinc/43/75/80/411437580.db2.gz HBYVYVUXSVGDHM-ZJUUUORDSA-N 2 2 244.339 -0.694 20 0 BBADLP C[NH2+]C[C@H](C)NC(=O)NCC[NH+]1CCOCC1 ZINC000659641126 411446145 /nfs/dbraw/zinc/44/61/45/411446145.db2.gz MBYBSQOTKZNPNG-JTQLQIEISA-N 2 2 244.339 -0.774 20 0 BBADLP C[NH2+]C[C@@H](C)NC(=O)NCC[NH+]1CCOCC1 ZINC000659641127 411446218 /nfs/dbraw/zinc/44/62/18/411446218.db2.gz MBYBSQOTKZNPNG-SNVBAGLBSA-N 2 2 244.339 -0.774 20 0 BBADLP c1[nH]nnc1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659849072 411341764 /nfs/dbraw/zinc/34/17/64/411341764.db2.gz FDVZDHPHGJVQPM-DTORHVGOSA-N 2 2 207.281 -0.502 20 0 BBADLP c1[nH]nnc1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659849072 411341762 /nfs/dbraw/zinc/34/17/62/411341762.db2.gz FDVZDHPHGJVQPM-DTORHVGOSA-N 2 2 207.281 -0.502 20 0 BBADLP c1[nH]nnc1CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000659849075 411340501 /nfs/dbraw/zinc/34/05/01/411340501.db2.gz FDVZDHPHGJVQPM-IUCAKERBSA-N 2 2 207.281 -0.502 20 0 BBADLP c1[nH]nnc1CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000659849083 411340364 /nfs/dbraw/zinc/34/03/64/411340364.db2.gz FDVZDHPHGJVQPM-RKDXNWHRSA-N 2 2 207.281 -0.502 20 0 BBADLP CCN1OC[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000659849221 411341288 /nfs/dbraw/zinc/34/12/88/411341288.db2.gz GKBQCVBKHQPTIG-AEJSXWLSSA-N 2 2 225.292 -0.700 20 0 BBADLP CCN1OC[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000659849221 411341284 /nfs/dbraw/zinc/34/12/84/411341284.db2.gz GKBQCVBKHQPTIG-AEJSXWLSSA-N 2 2 225.292 -0.700 20 0 BBADLP CCN1OC[C@H]([NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000659849223 411341296 /nfs/dbraw/zinc/34/12/96/411341296.db2.gz GKBQCVBKHQPTIG-BBBLOLIVSA-N 2 2 225.292 -0.700 20 0 BBADLP CCN1OC[C@H]([NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000659849227 411340577 /nfs/dbraw/zinc/34/05/77/411340577.db2.gz GKBQCVBKHQPTIG-GUBZILKMSA-N 2 2 225.292 -0.700 20 0 BBADLP CCN1OC[C@@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000659849229 411341534 /nfs/dbraw/zinc/34/15/34/411341534.db2.gz GKBQCVBKHQPTIG-KXUCPTDWSA-N 2 2 225.292 -0.700 20 0 BBADLP CCN1OC[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000659849229 411341531 /nfs/dbraw/zinc/34/15/31/411341531.db2.gz GKBQCVBKHQPTIG-KXUCPTDWSA-N 2 2 225.292 -0.700 20 0 BBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000659976435 411515844 /nfs/dbraw/zinc/51/58/44/411515844.db2.gz BDNNKKQRZLNXJA-GRYCIOLGSA-N 2 2 246.351 -0.885 20 0 BBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000659976435 411515841 /nfs/dbraw/zinc/51/58/41/411515841.db2.gz BDNNKKQRZLNXJA-GRYCIOLGSA-N 2 2 246.351 -0.885 20 0 BBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)C[C@H](O)C1 ZINC000659976435 411515839 /nfs/dbraw/zinc/51/58/39/411515839.db2.gz BDNNKKQRZLNXJA-GRYCIOLGSA-N 2 2 246.351 -0.885 20 0 BBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)C[C@H](O)C1 ZINC000659976435 411515836 /nfs/dbraw/zinc/51/58/36/411515836.db2.gz BDNNKKQRZLNXJA-GRYCIOLGSA-N 2 2 246.351 -0.885 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000659976436 411516807 /nfs/dbraw/zinc/51/68/07/411516807.db2.gz BDNNKKQRZLNXJA-TUAOUCFPSA-N 2 2 246.351 -0.885 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000659976436 411516805 /nfs/dbraw/zinc/51/68/05/411516805.db2.gz BDNNKKQRZLNXJA-TUAOUCFPSA-N 2 2 246.351 -0.885 20 0 BBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@H](O)C1 ZINC000659976436 411516803 /nfs/dbraw/zinc/51/68/03/411516803.db2.gz BDNNKKQRZLNXJA-TUAOUCFPSA-N 2 2 246.351 -0.885 20 0 BBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@H](O)C1 ZINC000659976436 411516800 /nfs/dbraw/zinc/51/68/00/411516800.db2.gz BDNNKKQRZLNXJA-TUAOUCFPSA-N 2 2 246.351 -0.885 20 0 BBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000660300905 411566552 /nfs/dbraw/zinc/56/65/52/411566552.db2.gz VINHKIMBEVZPCQ-QJPTWQEYSA-N 2 2 246.351 -0.885 20 0 BBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000660300905 411566551 /nfs/dbraw/zinc/56/65/51/411566551.db2.gz VINHKIMBEVZPCQ-QJPTWQEYSA-N 2 2 246.351 -0.885 20 0 BBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)C[C@H]1CO ZINC000660300905 411566549 /nfs/dbraw/zinc/56/65/49/411566549.db2.gz VINHKIMBEVZPCQ-QJPTWQEYSA-N 2 2 246.351 -0.885 20 0 BBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)C[C@H]1CO ZINC000660300905 411566548 /nfs/dbraw/zinc/56/65/48/411566548.db2.gz VINHKIMBEVZPCQ-QJPTWQEYSA-N 2 2 246.351 -0.885 20 0 BBADLP CNC(=O)CC[N@H+]1CCn2c[nH+]cc2C1 ZINC000660576987 411603356 /nfs/dbraw/zinc/60/33/56/411603356.db2.gz CWPKPJPWSMKEBC-UHFFFAOYSA-N 2 2 208.265 -0.165 20 0 BBADLP CNC(=O)CC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000660576987 411603355 /nfs/dbraw/zinc/60/33/55/411603355.db2.gz CWPKPJPWSMKEBC-UHFFFAOYSA-N 2 2 208.265 -0.165 20 0 BBADLP CCC[NH+](CC(N)=O)C[C@H](O)C[N@@H+](C)C(C)C ZINC000660619879 411608028 /nfs/dbraw/zinc/60/80/28/411608028.db2.gz ZUKMJXUXKILSQF-LLVKDONJSA-N 2 2 245.367 -0.115 20 0 BBADLP CCC[NH+](CC(N)=O)C[C@H](O)C[N@H+](C)C(C)C ZINC000660619879 411608027 /nfs/dbraw/zinc/60/80/27/411608027.db2.gz ZUKMJXUXKILSQF-LLVKDONJSA-N 2 2 245.367 -0.115 20 0 BBADLP CCC[N@H+](CC(N)=O)C[C@H](O)C[NH+](C)C(C)C ZINC000660619879 411608026 /nfs/dbraw/zinc/60/80/26/411608026.db2.gz ZUKMJXUXKILSQF-LLVKDONJSA-N 2 2 245.367 -0.115 20 0 BBADLP CCC[N@@H+](CC(N)=O)C[C@H](O)C[NH+](C)C(C)C ZINC000660619879 411608025 /nfs/dbraw/zinc/60/80/25/411608025.db2.gz ZUKMJXUXKILSQF-LLVKDONJSA-N 2 2 245.367 -0.115 20 0 BBADLP CCC[NH+](CC(N)=O)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660619903 411608046 /nfs/dbraw/zinc/60/80/46/411608046.db2.gz ZUKMJXUXKILSQF-NSHDSACASA-N 2 2 245.367 -0.115 20 0 BBADLP CCC[NH+](CC(N)=O)C[C@@H](O)C[N@H+](C)C(C)C ZINC000660619903 411608045 /nfs/dbraw/zinc/60/80/45/411608045.db2.gz ZUKMJXUXKILSQF-NSHDSACASA-N 2 2 245.367 -0.115 20 0 BBADLP CCC[N@H+](CC(N)=O)C[C@@H](O)C[NH+](C)C(C)C ZINC000660619903 411608044 /nfs/dbraw/zinc/60/80/44/411608044.db2.gz ZUKMJXUXKILSQF-NSHDSACASA-N 2 2 245.367 -0.115 20 0 BBADLP CCC[N@@H+](CC(N)=O)C[C@@H](O)C[NH+](C)C(C)C ZINC000660619903 411608043 /nfs/dbraw/zinc/60/80/43/411608043.db2.gz ZUKMJXUXKILSQF-NSHDSACASA-N 2 2 245.367 -0.115 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)C(C)(C)C(N)=O ZINC000660646512 491103283 /nfs/dbraw/zinc/10/32/83/491103283.db2.gz CIKNZGWSMBHVTC-JTQLQIEISA-N 2 2 245.367 -0.117 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)C(C)(C)C(N)=O ZINC000660646512 491103281 /nfs/dbraw/zinc/10/32/81/491103281.db2.gz CIKNZGWSMBHVTC-JTQLQIEISA-N 2 2 245.367 -0.117 20 0 BBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)C(C)(C)C(N)=O ZINC000660646512 491103278 /nfs/dbraw/zinc/10/32/78/491103278.db2.gz CIKNZGWSMBHVTC-JTQLQIEISA-N 2 2 245.367 -0.117 20 0 BBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)C(C)(C)C(N)=O ZINC000660646512 491103277 /nfs/dbraw/zinc/10/32/77/491103277.db2.gz CIKNZGWSMBHVTC-JTQLQIEISA-N 2 2 245.367 -0.117 20 0 BBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)(C)C(N)=O ZINC000660646518 491103300 /nfs/dbraw/zinc/10/33/00/491103300.db2.gz CIKNZGWSMBHVTC-SNVBAGLBSA-N 2 2 245.367 -0.117 20 0 BBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)C(C)(C)C(N)=O ZINC000660646518 491103298 /nfs/dbraw/zinc/10/32/98/491103298.db2.gz CIKNZGWSMBHVTC-SNVBAGLBSA-N 2 2 245.367 -0.117 20 0 BBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)(C)C(N)=O ZINC000660646518 491103297 /nfs/dbraw/zinc/10/32/97/491103297.db2.gz CIKNZGWSMBHVTC-SNVBAGLBSA-N 2 2 245.367 -0.117 20 0 BBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)C(C)(C)C(N)=O ZINC000660646518 491103295 /nfs/dbraw/zinc/10/32/95/491103295.db2.gz CIKNZGWSMBHVTC-SNVBAGLBSA-N 2 2 245.367 -0.117 20 0 BBADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(N)=O)C2 ZINC000660657170 411615106 /nfs/dbraw/zinc/61/51/06/411615106.db2.gz WFDDQHGGLXOHGF-LLVKDONJSA-N 2 2 211.309 -0.111 20 0 BBADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(N)=O)C2 ZINC000660657170 411615104 /nfs/dbraw/zinc/61/51/04/411615104.db2.gz WFDDQHGGLXOHGF-LLVKDONJSA-N 2 2 211.309 -0.111 20 0 BBADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(N)=O)C2 ZINC000660657170 411615102 /nfs/dbraw/zinc/61/51/02/411615102.db2.gz WFDDQHGGLXOHGF-LLVKDONJSA-N 2 2 211.309 -0.111 20 0 BBADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(N)=O)C2 ZINC000660657170 411615100 /nfs/dbraw/zinc/61/51/00/411615100.db2.gz WFDDQHGGLXOHGF-LLVKDONJSA-N 2 2 211.309 -0.111 20 0 BBADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(N)=O)C2 ZINC000660657172 411614496 /nfs/dbraw/zinc/61/44/96/411614496.db2.gz WFDDQHGGLXOHGF-NSHDSACASA-N 2 2 211.309 -0.111 20 0 BBADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(N)=O)C2 ZINC000660657172 411614495 /nfs/dbraw/zinc/61/44/95/411614495.db2.gz WFDDQHGGLXOHGF-NSHDSACASA-N 2 2 211.309 -0.111 20 0 BBADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(N)=O)C2 ZINC000660657172 411614494 /nfs/dbraw/zinc/61/44/94/411614494.db2.gz WFDDQHGGLXOHGF-NSHDSACASA-N 2 2 211.309 -0.111 20 0 BBADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(N)=O)C2 ZINC000660657172 411614493 /nfs/dbraw/zinc/61/44/93/411614493.db2.gz WFDDQHGGLXOHGF-NSHDSACASA-N 2 2 211.309 -0.111 20 0 BBADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000660722367 411618890 /nfs/dbraw/zinc/61/88/90/411618890.db2.gz HIJAUBXVCSQJMT-AOOOYVTPSA-N 2 2 248.286 -0.604 20 0 BBADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000660722367 411618889 /nfs/dbraw/zinc/61/88/89/411618889.db2.gz HIJAUBXVCSQJMT-AOOOYVTPSA-N 2 2 248.286 -0.604 20 0 BBADLP C[NH+](C)CC(C)(C)[NH2+]CCN1C(=O)CNC1=O ZINC000660763337 411622638 /nfs/dbraw/zinc/62/26/38/411622638.db2.gz GMSWWQGZSVLOLO-UHFFFAOYSA-N 2 2 242.323 -0.532 20 0 BBADLP CC(=O)NCC[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000660903343 411665102 /nfs/dbraw/zinc/66/51/02/411665102.db2.gz NNQAHLFIZOASTK-GFCCVEGCSA-N 2 2 245.367 -0.245 20 0 BBADLP CC(=O)NCC[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000660903343 411665099 /nfs/dbraw/zinc/66/50/99/411665099.db2.gz NNQAHLFIZOASTK-GFCCVEGCSA-N 2 2 245.367 -0.245 20 0 BBADLP CC(=O)NCC[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000660903343 411665095 /nfs/dbraw/zinc/66/50/95/411665095.db2.gz NNQAHLFIZOASTK-GFCCVEGCSA-N 2 2 245.367 -0.245 20 0 BBADLP CC(=O)NCC[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660903343 411665092 /nfs/dbraw/zinc/66/50/92/411665092.db2.gz NNQAHLFIZOASTK-GFCCVEGCSA-N 2 2 245.367 -0.245 20 0 BBADLP CC(=O)NCC[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000660903348 411665802 /nfs/dbraw/zinc/66/58/02/411665802.db2.gz NNQAHLFIZOASTK-LBPRGKRZSA-N 2 2 245.367 -0.245 20 0 BBADLP CC(=O)NCC[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000660903348 411665798 /nfs/dbraw/zinc/66/57/98/411665798.db2.gz NNQAHLFIZOASTK-LBPRGKRZSA-N 2 2 245.367 -0.245 20 0 BBADLP CC(=O)NCC[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000660903348 411665796 /nfs/dbraw/zinc/66/57/96/411665796.db2.gz NNQAHLFIZOASTK-LBPRGKRZSA-N 2 2 245.367 -0.245 20 0 BBADLP CC(=O)NCC[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000660903348 411665794 /nfs/dbraw/zinc/66/57/94/411665794.db2.gz NNQAHLFIZOASTK-LBPRGKRZSA-N 2 2 245.367 -0.245 20 0 BBADLP Cn1c[nH+]c(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000660926023 411677224 /nfs/dbraw/zinc/67/72/24/411677224.db2.gz HVXDGWDFQHOKAM-NWDGAFQWSA-N 2 2 236.319 -0.329 20 0 BBADLP Cn1c[nH+]c(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000660926023 411677219 /nfs/dbraw/zinc/67/72/19/411677219.db2.gz HVXDGWDFQHOKAM-NWDGAFQWSA-N 2 2 236.319 -0.329 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H]1COCCO1 ZINC000661614048 411057208 /nfs/dbraw/zinc/05/72/08/411057208.db2.gz NFDZGDAMTVAHCY-NEPJUHHUSA-N 2 2 246.351 -0.354 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H]1COCCO1 ZINC000661614048 411057204 /nfs/dbraw/zinc/05/72/04/411057204.db2.gz NFDZGDAMTVAHCY-NEPJUHHUSA-N 2 2 246.351 -0.354 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1COCCO1 ZINC000661614048 411057201 /nfs/dbraw/zinc/05/72/01/411057201.db2.gz NFDZGDAMTVAHCY-NEPJUHHUSA-N 2 2 246.351 -0.354 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1COCCO1 ZINC000661614048 411057199 /nfs/dbraw/zinc/05/71/99/411057199.db2.gz NFDZGDAMTVAHCY-NEPJUHHUSA-N 2 2 246.351 -0.354 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H]1COCCO1 ZINC000661614050 411057727 /nfs/dbraw/zinc/05/77/27/411057727.db2.gz NFDZGDAMTVAHCY-NWDGAFQWSA-N 2 2 246.351 -0.354 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H]1COCCO1 ZINC000661614050 411057723 /nfs/dbraw/zinc/05/77/23/411057723.db2.gz NFDZGDAMTVAHCY-NWDGAFQWSA-N 2 2 246.351 -0.354 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1COCCO1 ZINC000661614050 411057718 /nfs/dbraw/zinc/05/77/18/411057718.db2.gz NFDZGDAMTVAHCY-NWDGAFQWSA-N 2 2 246.351 -0.354 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1COCCO1 ZINC000661614050 411057712 /nfs/dbraw/zinc/05/77/12/411057712.db2.gz NFDZGDAMTVAHCY-NWDGAFQWSA-N 2 2 246.351 -0.354 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H]1COCCO1 ZINC000661614052 411057606 /nfs/dbraw/zinc/05/76/06/411057606.db2.gz NFDZGDAMTVAHCY-RYUDHWBXSA-N 2 2 246.351 -0.354 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H]1COCCO1 ZINC000661614052 411057601 /nfs/dbraw/zinc/05/76/01/411057601.db2.gz NFDZGDAMTVAHCY-RYUDHWBXSA-N 2 2 246.351 -0.354 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H]1COCCO1 ZINC000661614052 411057597 /nfs/dbraw/zinc/05/75/97/411057597.db2.gz NFDZGDAMTVAHCY-RYUDHWBXSA-N 2 2 246.351 -0.354 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H]1COCCO1 ZINC000661614052 411057591 /nfs/dbraw/zinc/05/75/91/411057591.db2.gz NFDZGDAMTVAHCY-RYUDHWBXSA-N 2 2 246.351 -0.354 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H]1COCCO1 ZINC000661614060 411057000 /nfs/dbraw/zinc/05/70/00/411057000.db2.gz NFDZGDAMTVAHCY-VXGBXAGGSA-N 2 2 246.351 -0.354 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H]1COCCO1 ZINC000661614060 411056996 /nfs/dbraw/zinc/05/69/96/411056996.db2.gz NFDZGDAMTVAHCY-VXGBXAGGSA-N 2 2 246.351 -0.354 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1COCCO1 ZINC000661614060 411056993 /nfs/dbraw/zinc/05/69/93/411056993.db2.gz NFDZGDAMTVAHCY-VXGBXAGGSA-N 2 2 246.351 -0.354 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1COCCO1 ZINC000661614060 411056991 /nfs/dbraw/zinc/05/69/91/411056991.db2.gz NFDZGDAMTVAHCY-VXGBXAGGSA-N 2 2 246.351 -0.354 20 0 BBADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@]2(O)C[C@H]2C1)C1CC1 ZINC000661719848 411855751 /nfs/dbraw/zinc/85/57/51/411855751.db2.gz AOGRPCATGKCNTQ-CYZMBNFOSA-N 2 2 240.347 -0.102 20 0 BBADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@]2(O)C[C@H]2C1)C1CC1 ZINC000661719848 411855748 /nfs/dbraw/zinc/85/57/48/411855748.db2.gz AOGRPCATGKCNTQ-CYZMBNFOSA-N 2 2 240.347 -0.102 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@]2(O)C[C@H]2C1)C1CC1 ZINC000661719848 411855744 /nfs/dbraw/zinc/85/57/44/411855744.db2.gz AOGRPCATGKCNTQ-CYZMBNFOSA-N 2 2 240.347 -0.102 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@]2(O)C[C@H]2C1)C1CC1 ZINC000661719848 411855741 /nfs/dbraw/zinc/85/57/41/411855741.db2.gz AOGRPCATGKCNTQ-CYZMBNFOSA-N 2 2 240.347 -0.102 20 0 BBADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@]2(O)C[C@H]2C1)C1CC1 ZINC000661719850 411856019 /nfs/dbraw/zinc/85/60/19/411856019.db2.gz AOGRPCATGKCNTQ-WCFLWFBJSA-N 2 2 240.347 -0.102 20 0 BBADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@]2(O)C[C@H]2C1)C1CC1 ZINC000661719850 411856016 /nfs/dbraw/zinc/85/60/16/411856016.db2.gz AOGRPCATGKCNTQ-WCFLWFBJSA-N 2 2 240.347 -0.102 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@]2(O)C[C@H]2C1)C1CC1 ZINC000661719850 411856014 /nfs/dbraw/zinc/85/60/14/411856014.db2.gz AOGRPCATGKCNTQ-WCFLWFBJSA-N 2 2 240.347 -0.102 20 0 BBADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@]2(O)C[C@H]2C1)C1CC1 ZINC000661719850 411856011 /nfs/dbraw/zinc/85/60/11/411856011.db2.gz AOGRPCATGKCNTQ-WCFLWFBJSA-N 2 2 240.347 -0.102 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723372 411859095 /nfs/dbraw/zinc/85/90/95/411859095.db2.gz KSKGTZKARLZUKW-QJPTWQEYSA-N 2 2 228.336 -0.244 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723372 411859092 /nfs/dbraw/zinc/85/90/92/411859092.db2.gz KSKGTZKARLZUKW-QJPTWQEYSA-N 2 2 228.336 -0.244 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723372 411859089 /nfs/dbraw/zinc/85/90/89/411859089.db2.gz KSKGTZKARLZUKW-QJPTWQEYSA-N 2 2 228.336 -0.244 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723372 411859087 /nfs/dbraw/zinc/85/90/87/411859087.db2.gz KSKGTZKARLZUKW-QJPTWQEYSA-N 2 2 228.336 -0.244 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723373 411858008 /nfs/dbraw/zinc/85/80/08/411858008.db2.gz KSKGTZKARLZUKW-SDDRHHMPSA-N 2 2 228.336 -0.244 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723373 411858005 /nfs/dbraw/zinc/85/80/05/411858005.db2.gz KSKGTZKARLZUKW-SDDRHHMPSA-N 2 2 228.336 -0.244 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723373 411858003 /nfs/dbraw/zinc/85/80/03/411858003.db2.gz KSKGTZKARLZUKW-SDDRHHMPSA-N 2 2 228.336 -0.244 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723373 411858001 /nfs/dbraw/zinc/85/80/01/411858001.db2.gz KSKGTZKARLZUKW-SDDRHHMPSA-N 2 2 228.336 -0.244 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC(=O)N(C)CC1 ZINC000661805308 411887270 /nfs/dbraw/zinc/88/72/70/411887270.db2.gz GOYXFCCDLICVHV-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC(=O)N(C)CC1 ZINC000661805308 411887266 /nfs/dbraw/zinc/88/72/66/411887266.db2.gz GOYXFCCDLICVHV-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(=O)N(C)CC1 ZINC000661805308 411887263 /nfs/dbraw/zinc/88/72/63/411887263.db2.gz GOYXFCCDLICVHV-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(=O)N(C)CC1 ZINC000661805308 411887262 /nfs/dbraw/zinc/88/72/62/411887262.db2.gz GOYXFCCDLICVHV-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC(=O)N(C)CC1 ZINC000661805309 411887147 /nfs/dbraw/zinc/88/71/47/411887147.db2.gz GOYXFCCDLICVHV-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC(=O)N(C)CC1 ZINC000661805309 411887145 /nfs/dbraw/zinc/88/71/45/411887145.db2.gz GOYXFCCDLICVHV-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(=O)N(C)CC1 ZINC000661805309 411887142 /nfs/dbraw/zinc/88/71/42/411887142.db2.gz GOYXFCCDLICVHV-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(=O)N(C)CC1 ZINC000661805309 411887139 /nfs/dbraw/zinc/88/71/39/411887139.db2.gz GOYXFCCDLICVHV-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP OCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662158910 412012787 /nfs/dbraw/zinc/01/27/87/412012787.db2.gz VNWZZMASMUWGTK-LLVKDONJSA-N 2 2 214.309 -0.490 20 0 BBADLP OCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662158910 412012784 /nfs/dbraw/zinc/01/27/84/412012784.db2.gz VNWZZMASMUWGTK-LLVKDONJSA-N 2 2 214.309 -0.490 20 0 BBADLP OCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662158917 412013591 /nfs/dbraw/zinc/01/35/91/412013591.db2.gz VNWZZMASMUWGTK-NSHDSACASA-N 2 2 214.309 -0.490 20 0 BBADLP OCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662158917 412013589 /nfs/dbraw/zinc/01/35/89/412013589.db2.gz VNWZZMASMUWGTK-NSHDSACASA-N 2 2 214.309 -0.490 20 0 BBADLP [NH3+][C@@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662235197 411383534 /nfs/dbraw/zinc/38/35/34/411383534.db2.gz OWMJAUSREAQPSX-GHMZBOCLSA-N 3 2 225.336 -0.070 20 0 BBADLP [NH3+][C@@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662235197 411383532 /nfs/dbraw/zinc/38/35/32/411383532.db2.gz OWMJAUSREAQPSX-GHMZBOCLSA-N 3 2 225.336 -0.070 20 0 BBADLP [NH3+][C@@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662235211 411383519 /nfs/dbraw/zinc/38/35/19/411383519.db2.gz OWMJAUSREAQPSX-MNOVXSKESA-N 3 2 225.336 -0.070 20 0 BBADLP [NH3+][C@@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662235211 411383514 /nfs/dbraw/zinc/38/35/14/411383514.db2.gz OWMJAUSREAQPSX-MNOVXSKESA-N 3 2 225.336 -0.070 20 0 BBADLP [NH3+][C@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662235216 411383554 /nfs/dbraw/zinc/38/35/54/411383554.db2.gz OWMJAUSREAQPSX-QWRGUYRKSA-N 3 2 225.336 -0.070 20 0 BBADLP [NH3+][C@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662235216 411383551 /nfs/dbraw/zinc/38/35/51/411383551.db2.gz OWMJAUSREAQPSX-QWRGUYRKSA-N 3 2 225.336 -0.070 20 0 BBADLP [NH3+][C@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662235223 411382983 /nfs/dbraw/zinc/38/29/83/411382983.db2.gz OWMJAUSREAQPSX-WDEREUQCSA-N 3 2 225.336 -0.070 20 0 BBADLP [NH3+][C@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662235223 411382979 /nfs/dbraw/zinc/38/29/79/411382979.db2.gz OWMJAUSREAQPSX-WDEREUQCSA-N 3 2 225.336 -0.070 20 0 BBADLP [NH3+]CC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662235326 412033829 /nfs/dbraw/zinc/03/38/29/412033829.db2.gz QGRZXBIXTTUYCO-LLVKDONJSA-N 3 2 213.325 -0.355 20 0 BBADLP [NH3+]CC1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662235327 412034791 /nfs/dbraw/zinc/03/47/91/412034791.db2.gz QGRZXBIXTTUYCO-NSHDSACASA-N 3 2 213.325 -0.355 20 0 BBADLP C([C@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCC[NH2+]CC1 ZINC000662239379 409525348 /nfs/dbraw/zinc/52/53/48/409525348.db2.gz BTMKAQFGOHPSQA-LLVKDONJSA-N 3 2 225.336 -0.197 20 0 BBADLP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCC[NH2+]CC1 ZINC000662239379 409525335 /nfs/dbraw/zinc/52/53/35/409525335.db2.gz BTMKAQFGOHPSQA-LLVKDONJSA-N 3 2 225.336 -0.197 20 0 BBADLP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCC[NH2+]CC1 ZINC000662239382 409526136 /nfs/dbraw/zinc/52/61/36/409526136.db2.gz BTMKAQFGOHPSQA-NSHDSACASA-N 3 2 225.336 -0.197 20 0 BBADLP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCC[NH2+]CC1 ZINC000662239382 409526125 /nfs/dbraw/zinc/52/61/25/409526125.db2.gz BTMKAQFGOHPSQA-NSHDSACASA-N 3 2 225.336 -0.197 20 0 BBADLP CN1CCC[C@H]([N@H+]2CCC[NH2+]CC2)C1=O ZINC000662240224 409526689 /nfs/dbraw/zinc/52/66/89/409526689.db2.gz IWCJUCLJHOQYFA-JTQLQIEISA-N 2 2 211.309 -0.098 20 0 BBADLP CN1CCC[C@H]([N@@H+]2CCC[NH2+]CC2)C1=O ZINC000662240224 409526682 /nfs/dbraw/zinc/52/66/82/409526682.db2.gz IWCJUCLJHOQYFA-JTQLQIEISA-N 2 2 211.309 -0.098 20 0 BBADLP CN1CCC[C@@H]([N@H+]2CCC[NH2+]CC2)C1=O ZINC000662240225 409527154 /nfs/dbraw/zinc/52/71/54/409527154.db2.gz IWCJUCLJHOQYFA-SNVBAGLBSA-N 2 2 211.309 -0.098 20 0 BBADLP CN1CCC[C@@H]([N@@H+]2CCC[NH2+]CC2)C1=O ZINC000662240225 409527147 /nfs/dbraw/zinc/52/71/47/409527147.db2.gz IWCJUCLJHOQYFA-SNVBAGLBSA-N 2 2 211.309 -0.098 20 0 BBADLP CCN1CC[C@H]([N@H+]2CCC[NH2+]CC2)C1=O ZINC000662241196 409525945 /nfs/dbraw/zinc/52/59/45/409525945.db2.gz QLMQPIBHJLWIAM-JTQLQIEISA-N 2 2 211.309 -0.098 20 0 BBADLP CCN1CC[C@H]([N@@H+]2CCC[NH2+]CC2)C1=O ZINC000662241196 409525932 /nfs/dbraw/zinc/52/59/32/409525932.db2.gz QLMQPIBHJLWIAM-JTQLQIEISA-N 2 2 211.309 -0.098 20 0 BBADLP CCN1CC[C@@H]([N@H+]2CCC[NH2+]CC2)C1=O ZINC000662241197 409525740 /nfs/dbraw/zinc/52/57/40/409525740.db2.gz QLMQPIBHJLWIAM-SNVBAGLBSA-N 2 2 211.309 -0.098 20 0 BBADLP CCN1CC[C@@H]([N@@H+]2CCC[NH2+]CC2)C1=O ZINC000662241197 409525731 /nfs/dbraw/zinc/52/57/31/409525731.db2.gz QLMQPIBHJLWIAM-SNVBAGLBSA-N 2 2 211.309 -0.098 20 0 BBADLP [NH3+][C@@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662241697 412037337 /nfs/dbraw/zinc/03/73/37/412037337.db2.gz VSIIKTQCKKUVKH-NXEZZACHSA-N 3 2 211.309 -0.460 20 0 BBADLP [NH3+][C@@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662241697 412037336 /nfs/dbraw/zinc/03/73/36/412037336.db2.gz VSIIKTQCKKUVKH-NXEZZACHSA-N 3 2 211.309 -0.460 20 0 BBADLP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662241698 412036442 /nfs/dbraw/zinc/03/64/42/412036442.db2.gz VSIIKTQCKKUVKH-ZJUUUORDSA-N 3 2 211.309 -0.460 20 0 BBADLP [NH3+][C@@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662241698 412036437 /nfs/dbraw/zinc/03/64/37/412036437.db2.gz VSIIKTQCKKUVKH-ZJUUUORDSA-N 3 2 211.309 -0.460 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@H]2C[NH2+]CCO2)CC[C@H]1[NH3+] ZINC000662242880 412036461 /nfs/dbraw/zinc/03/64/61/412036461.db2.gz DVBUWWORIFKTEK-GMTAPVOTSA-N 3 2 213.325 -0.356 20 0 BBADLP C[C@@H]1C[N@H+](C[C@H]2C[NH2+]CCO2)CC[C@H]1[NH3+] ZINC000662242880 412036459 /nfs/dbraw/zinc/03/64/59/412036459.db2.gz DVBUWWORIFKTEK-GMTAPVOTSA-N 3 2 213.325 -0.356 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@H]2C[NH2+]CCO2)CC[C@@H]1[NH3+] ZINC000662242881 412038008 /nfs/dbraw/zinc/03/80/08/412038008.db2.gz DVBUWWORIFKTEK-MXWKQRLJSA-N 3 2 213.325 -0.356 20 0 BBADLP C[C@@H]1C[N@H+](C[C@H]2C[NH2+]CCO2)CC[C@@H]1[NH3+] ZINC000662242881 412038004 /nfs/dbraw/zinc/03/80/04/412038004.db2.gz DVBUWWORIFKTEK-MXWKQRLJSA-N 3 2 213.325 -0.356 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]CCO2)CC[C@H]1[NH3+] ZINC000662242883 412037918 /nfs/dbraw/zinc/03/79/18/412037918.db2.gz DVBUWWORIFKTEK-OUAUKWLOSA-N 3 2 213.325 -0.356 20 0 BBADLP C[C@@H]1C[N@H+](C[C@@H]2C[NH2+]CCO2)CC[C@H]1[NH3+] ZINC000662242883 412037914 /nfs/dbraw/zinc/03/79/14/412037914.db2.gz DVBUWWORIFKTEK-OUAUKWLOSA-N 3 2 213.325 -0.356 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]CCO2)CC[C@@H]1[NH3+] ZINC000662242885 412037171 /nfs/dbraw/zinc/03/71/71/412037171.db2.gz DVBUWWORIFKTEK-VWYCJHECSA-N 3 2 213.325 -0.356 20 0 BBADLP C[C@@H]1C[N@H+](C[C@@H]2C[NH2+]CCO2)CC[C@@H]1[NH3+] ZINC000662242885 412037165 /nfs/dbraw/zinc/03/71/65/412037165.db2.gz DVBUWWORIFKTEK-VWYCJHECSA-N 3 2 213.325 -0.356 20 0 BBADLP C[NH2+]CC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662244729 409535083 /nfs/dbraw/zinc/53/50/83/409535083.db2.gz GHPFLUBVYUAQMF-GFCCVEGCSA-N 3 2 227.352 -0.094 20 0 BBADLP C[NH2+]CC1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662244730 409536137 /nfs/dbraw/zinc/53/61/37/409536137.db2.gz GHPFLUBVYUAQMF-LBPRGKRZSA-N 3 2 227.352 -0.094 20 0 BBADLP C[C@H](C[NH3+])[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662244931 412042061 /nfs/dbraw/zinc/04/20/61/412042061.db2.gz PSVUYQAFORPPSJ-NXEZZACHSA-N 3 2 213.325 -0.214 20 0 BBADLP C[C@@H](C[NH3+])[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662244932 412041683 /nfs/dbraw/zinc/04/16/83/412041683.db2.gz PSVUYQAFORPPSJ-UWVGGRQHSA-N 3 2 213.325 -0.214 20 0 BBADLP C[C@@H](C[NH3+])[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662244933 412040929 /nfs/dbraw/zinc/04/09/29/412040929.db2.gz PSVUYQAFORPPSJ-VHSXEESVSA-N 3 2 213.325 -0.214 20 0 BBADLP C[C@H](C[NH3+])[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662244934 412042105 /nfs/dbraw/zinc/04/21/05/412042105.db2.gz PSVUYQAFORPPSJ-ZJUUUORDSA-N 3 2 213.325 -0.214 20 0 BBADLP [NH3+][C@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662245902 412043108 /nfs/dbraw/zinc/04/31/08/412043108.db2.gz VSIIKTQCKKUVKH-UWVGGRQHSA-N 3 2 211.309 -0.460 20 0 BBADLP [NH3+][C@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662245902 412043107 /nfs/dbraw/zinc/04/31/07/412043107.db2.gz VSIIKTQCKKUVKH-UWVGGRQHSA-N 3 2 211.309 -0.460 20 0 BBADLP [NH3+][C@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662245903 412043917 /nfs/dbraw/zinc/04/39/17/412043917.db2.gz VSIIKTQCKKUVKH-VHSXEESVSA-N 3 2 211.309 -0.460 20 0 BBADLP [NH3+][C@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662245903 412043916 /nfs/dbraw/zinc/04/39/16/412043916.db2.gz VSIIKTQCKKUVKH-VHSXEESVSA-N 3 2 211.309 -0.460 20 0 BBADLP C[N@@H+](CCC[NH3+])Cc1coc(S(N)(=O)=O)c1 ZINC000662246420 412043882 /nfs/dbraw/zinc/04/38/82/412043882.db2.gz RVDVUNVJJQCROA-UHFFFAOYSA-N 2 2 247.320 -0.292 20 0 BBADLP C[N@H+](CCC[NH3+])Cc1coc(S(N)(=O)=O)c1 ZINC000662246420 412043881 /nfs/dbraw/zinc/04/38/81/412043881.db2.gz RVDVUNVJJQCROA-UHFFFAOYSA-N 2 2 247.320 -0.292 20 0 BBADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662246962 412044339 /nfs/dbraw/zinc/04/43/39/412044339.db2.gz WFGNFCJHLWXBFR-GHMZBOCLSA-N 3 2 225.336 -0.070 20 0 BBADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662246965 412044415 /nfs/dbraw/zinc/04/44/15/412044415.db2.gz WFGNFCJHLWXBFR-MNOVXSKESA-N 3 2 225.336 -0.070 20 0 BBADLP COC[C@@H](C[N@@H+](C)[C@@H]1CC[NH2+]C1)OC ZINC000662247213 409546575 /nfs/dbraw/zinc/54/65/75/409546575.db2.gz VSFLTPPNWGTBBK-NXEZZACHSA-N 2 2 202.298 -0.059 20 0 BBADLP COC[C@@H](C[N@H+](C)[C@@H]1CC[NH2+]C1)OC ZINC000662247213 409546571 /nfs/dbraw/zinc/54/65/71/409546571.db2.gz VSFLTPPNWGTBBK-NXEZZACHSA-N 2 2 202.298 -0.059 20 0 BBADLP COC[C@H](C[N@@H+](C)[C@H]1CC[NH2+]C1)OC ZINC000662247214 409544252 /nfs/dbraw/zinc/54/42/52/409544252.db2.gz VSFLTPPNWGTBBK-UWVGGRQHSA-N 2 2 202.298 -0.059 20 0 BBADLP COC[C@H](C[N@H+](C)[C@H]1CC[NH2+]C1)OC ZINC000662247214 409544243 /nfs/dbraw/zinc/54/42/43/409544243.db2.gz VSFLTPPNWGTBBK-UWVGGRQHSA-N 2 2 202.298 -0.059 20 0 BBADLP COC[C@@H](C[N@@H+](C)[C@H]1CC[NH2+]C1)OC ZINC000662247215 409546040 /nfs/dbraw/zinc/54/60/40/409546040.db2.gz VSFLTPPNWGTBBK-VHSXEESVSA-N 2 2 202.298 -0.059 20 0 BBADLP COC[C@@H](C[N@H+](C)[C@H]1CC[NH2+]C1)OC ZINC000662247215 409546026 /nfs/dbraw/zinc/54/60/26/409546026.db2.gz VSFLTPPNWGTBBK-VHSXEESVSA-N 2 2 202.298 -0.059 20 0 BBADLP COC[C@H](C[N@@H+](C)[C@@H]1CC[NH2+]C1)OC ZINC000662247216 409544307 /nfs/dbraw/zinc/54/43/07/409544307.db2.gz VSFLTPPNWGTBBK-ZJUUUORDSA-N 2 2 202.298 -0.059 20 0 BBADLP COC[C@H](C[N@H+](C)[C@@H]1CC[NH2+]C1)OC ZINC000662247216 409544300 /nfs/dbraw/zinc/54/43/00/409544300.db2.gz VSFLTPPNWGTBBK-ZJUUUORDSA-N 2 2 202.298 -0.059 20 0 BBADLP COC[C@H](C[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1)OC ZINC000662247632 409544924 /nfs/dbraw/zinc/54/49/24/409544924.db2.gz HIRDJNAXDUEUQN-DCAQKATOSA-N 2 2 232.324 -0.304 20 0 BBADLP COC[C@H](C[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1)OC ZINC000662247632 409544918 /nfs/dbraw/zinc/54/49/18/409544918.db2.gz HIRDJNAXDUEUQN-DCAQKATOSA-N 2 2 232.324 -0.304 20 0 BBADLP COC[C@H](C[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1)OC ZINC000662247633 409544047 /nfs/dbraw/zinc/54/40/47/409544047.db2.gz HIRDJNAXDUEUQN-GARJFASQSA-N 2 2 232.324 -0.304 20 0 BBADLP COC[C@H](C[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1)OC ZINC000662247633 409544041 /nfs/dbraw/zinc/54/40/41/409544041.db2.gz HIRDJNAXDUEUQN-GARJFASQSA-N 2 2 232.324 -0.304 20 0 BBADLP COC[C@H](C[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1)OC ZINC000662247634 409545523 /nfs/dbraw/zinc/54/55/23/409545523.db2.gz HIRDJNAXDUEUQN-OUAUKWLOSA-N 2 2 232.324 -0.304 20 0 BBADLP COC[C@H](C[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1)OC ZINC000662247634 409545519 /nfs/dbraw/zinc/54/55/19/409545519.db2.gz HIRDJNAXDUEUQN-OUAUKWLOSA-N 2 2 232.324 -0.304 20 0 BBADLP COC[C@H](C[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1)OC ZINC000662247635 409542918 /nfs/dbraw/zinc/54/29/18/409542918.db2.gz HIRDJNAXDUEUQN-VWYCJHECSA-N 2 2 232.324 -0.304 20 0 BBADLP COC[C@H](C[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1)OC ZINC000662247635 409542907 /nfs/dbraw/zinc/54/29/07/409542907.db2.gz HIRDJNAXDUEUQN-VWYCJHECSA-N 2 2 232.324 -0.304 20 0 BBADLP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CC[NH2+]C1 ZINC000662247718 409546615 /nfs/dbraw/zinc/54/66/15/409546615.db2.gz ZEIRXPLRFKJZIT-GHMZBOCLSA-N 3 2 225.336 -0.199 20 0 BBADLP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CC[NH2+]C1 ZINC000662247718 409546612 /nfs/dbraw/zinc/54/66/12/409546612.db2.gz ZEIRXPLRFKJZIT-GHMZBOCLSA-N 3 2 225.336 -0.199 20 0 BBADLP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CC[NH2+]C1 ZINC000662247719 409544597 /nfs/dbraw/zinc/54/45/97/409544597.db2.gz ZEIRXPLRFKJZIT-MNOVXSKESA-N 3 2 225.336 -0.199 20 0 BBADLP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CC[NH2+]C1 ZINC000662247719 409544586 /nfs/dbraw/zinc/54/45/86/409544586.db2.gz ZEIRXPLRFKJZIT-MNOVXSKESA-N 3 2 225.336 -0.199 20 0 BBADLP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H]1CC[NH2+]C1 ZINC000662247720 409549103 /nfs/dbraw/zinc/54/91/03/409549103.db2.gz ZEIRXPLRFKJZIT-QWRGUYRKSA-N 3 2 225.336 -0.199 20 0 BBADLP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H]1CC[NH2+]C1 ZINC000662247720 409549099 /nfs/dbraw/zinc/54/90/99/409549099.db2.gz ZEIRXPLRFKJZIT-QWRGUYRKSA-N 3 2 225.336 -0.199 20 0 BBADLP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H]1CC[NH2+]C1 ZINC000662247721 409548077 /nfs/dbraw/zinc/54/80/77/409548077.db2.gz ZEIRXPLRFKJZIT-WDEREUQCSA-N 3 2 225.336 -0.199 20 0 BBADLP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H]1CC[NH2+]C1 ZINC000662247721 409548068 /nfs/dbraw/zinc/54/80/68/409548068.db2.gz ZEIRXPLRFKJZIT-WDEREUQCSA-N 3 2 225.336 -0.199 20 0 BBADLP OCC[N@@H+](C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000662250959 412049087 /nfs/dbraw/zinc/04/90/87/412049087.db2.gz UEGNDNHFZBPMNG-JTQLQIEISA-N 2 2 200.282 -0.569 20 0 BBADLP OCC[N@H+](C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000662250959 412049085 /nfs/dbraw/zinc/04/90/85/412049085.db2.gz UEGNDNHFZBPMNG-JTQLQIEISA-N 2 2 200.282 -0.569 20 0 BBADLP OCC[N@@H+](C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000662250960 412048863 /nfs/dbraw/zinc/04/88/63/412048863.db2.gz UEGNDNHFZBPMNG-SNVBAGLBSA-N 2 2 200.282 -0.569 20 0 BBADLP OCC[N@H+](C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000662250960 412048862 /nfs/dbraw/zinc/04/88/62/412048862.db2.gz UEGNDNHFZBPMNG-SNVBAGLBSA-N 2 2 200.282 -0.569 20 0 BBADLP C[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252925 412049898 /nfs/dbraw/zinc/04/98/98/412049898.db2.gz DQLMPTVDMRVGHM-NXEZZACHSA-N 2 2 239.319 -0.672 20 0 BBADLP C[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252925 412049896 /nfs/dbraw/zinc/04/98/96/412049896.db2.gz DQLMPTVDMRVGHM-NXEZZACHSA-N 2 2 239.319 -0.672 20 0 BBADLP C[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252926 412049982 /nfs/dbraw/zinc/04/99/82/412049982.db2.gz DQLMPTVDMRVGHM-UWVGGRQHSA-N 2 2 239.319 -0.672 20 0 BBADLP C[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252926 412049978 /nfs/dbraw/zinc/04/99/78/412049978.db2.gz DQLMPTVDMRVGHM-UWVGGRQHSA-N 2 2 239.319 -0.672 20 0 BBADLP C[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252928 412050069 /nfs/dbraw/zinc/05/00/69/412050069.db2.gz DQLMPTVDMRVGHM-VHSXEESVSA-N 2 2 239.319 -0.672 20 0 BBADLP C[C@H]1C(=O)NCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252928 412050066 /nfs/dbraw/zinc/05/00/66/412050066.db2.gz DQLMPTVDMRVGHM-VHSXEESVSA-N 2 2 239.319 -0.672 20 0 BBADLP C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252929 409549457 /nfs/dbraw/zinc/54/94/57/409549457.db2.gz DQLMPTVDMRVGHM-ZJUUUORDSA-N 2 2 239.319 -0.672 20 0 BBADLP C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252929 409549451 /nfs/dbraw/zinc/54/94/51/409549451.db2.gz DQLMPTVDMRVGHM-ZJUUUORDSA-N 2 2 239.319 -0.672 20 0 BBADLP NC(=O)C[C@H]1CCCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662253262 412048896 /nfs/dbraw/zinc/04/88/96/412048896.db2.gz GYHCHMUQDJMOHJ-GHMZBOCLSA-N 2 2 241.335 -0.295 20 0 BBADLP NC(=O)C[C@H]1CCCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662253262 412048895 /nfs/dbraw/zinc/04/88/95/412048895.db2.gz GYHCHMUQDJMOHJ-GHMZBOCLSA-N 2 2 241.335 -0.295 20 0 BBADLP NC(=O)C[C@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662253263 412049716 /nfs/dbraw/zinc/04/97/16/412049716.db2.gz GYHCHMUQDJMOHJ-MNOVXSKESA-N 2 2 241.335 -0.295 20 0 BBADLP NC(=O)C[C@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662253263 412049714 /nfs/dbraw/zinc/04/97/14/412049714.db2.gz GYHCHMUQDJMOHJ-MNOVXSKESA-N 2 2 241.335 -0.295 20 0 BBADLP NC(=O)C[C@@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662253264 412050249 /nfs/dbraw/zinc/05/02/49/412050249.db2.gz GYHCHMUQDJMOHJ-QWRGUYRKSA-N 2 2 241.335 -0.295 20 0 BBADLP NC(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662253264 412050248 /nfs/dbraw/zinc/05/02/48/412050248.db2.gz GYHCHMUQDJMOHJ-QWRGUYRKSA-N 2 2 241.335 -0.295 20 0 BBADLP NC(=O)C[C@@H]1CCCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662253265 412049036 /nfs/dbraw/zinc/04/90/36/412049036.db2.gz GYHCHMUQDJMOHJ-WDEREUQCSA-N 2 2 241.335 -0.295 20 0 BBADLP NC(=O)C[C@@H]1CCCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662253265 412049035 /nfs/dbraw/zinc/04/90/35/412049035.db2.gz GYHCHMUQDJMOHJ-WDEREUQCSA-N 2 2 241.335 -0.295 20 0 BBADLP CN1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1=O ZINC000662255906 409551180 /nfs/dbraw/zinc/55/11/80/409551180.db2.gz SJKYFPSHOOTTPZ-JTQLQIEISA-N 2 2 239.319 -0.719 20 0 BBADLP CN1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1=O ZINC000662255906 409551172 /nfs/dbraw/zinc/55/11/72/409551172.db2.gz SJKYFPSHOOTTPZ-JTQLQIEISA-N 2 2 239.319 -0.719 20 0 BBADLP CN1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1=O ZINC000662255908 409553126 /nfs/dbraw/zinc/55/31/26/409553126.db2.gz SJKYFPSHOOTTPZ-SNVBAGLBSA-N 2 2 239.319 -0.719 20 0 BBADLP CN1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1=O ZINC000662255908 409553122 /nfs/dbraw/zinc/55/31/22/409553122.db2.gz SJKYFPSHOOTTPZ-SNVBAGLBSA-N 2 2 239.319 -0.719 20 0 BBADLP OCCC[N@@H+](C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000662255940 412052333 /nfs/dbraw/zinc/05/23/33/412052333.db2.gz SQVOIRQZFOOFTA-LLVKDONJSA-N 2 2 214.309 -0.178 20 0 BBADLP OCCC[N@H+](C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000662255940 412052330 /nfs/dbraw/zinc/05/23/30/412052330.db2.gz SQVOIRQZFOOFTA-LLVKDONJSA-N 2 2 214.309 -0.178 20 0 BBADLP OCCC[N@@H+](C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000662255944 412051981 /nfs/dbraw/zinc/05/19/81/412051981.db2.gz SQVOIRQZFOOFTA-NSHDSACASA-N 2 2 214.309 -0.178 20 0 BBADLP OCCC[N@H+](C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000662255944 412051979 /nfs/dbraw/zinc/05/19/79/412051979.db2.gz SQVOIRQZFOOFTA-NSHDSACASA-N 2 2 214.309 -0.178 20 0 BBADLP O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2C[C@H]1C[NH2+]CCO1 ZINC000662257039 412052440 /nfs/dbraw/zinc/05/24/40/412052440.db2.gz MIJNCZHUXQRUJR-OUAUKWLOSA-N 2 2 239.319 -0.672 20 0 BBADLP O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2C[C@H]1C[NH2+]CCO1 ZINC000662257039 412052435 /nfs/dbraw/zinc/05/24/35/412052435.db2.gz MIJNCZHUXQRUJR-OUAUKWLOSA-N 2 2 239.319 -0.672 20 0 BBADLP O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2C[C@@H]1C[NH2+]CCO1 ZINC000662257041 412052225 /nfs/dbraw/zinc/05/22/25/412052225.db2.gz MIJNCZHUXQRUJR-VWYCJHECSA-N 2 2 239.319 -0.672 20 0 BBADLP O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2C[C@@H]1C[NH2+]CCO1 ZINC000662257041 412052223 /nfs/dbraw/zinc/05/22/23/412052223.db2.gz MIJNCZHUXQRUJR-VWYCJHECSA-N 2 2 239.319 -0.672 20 0 BBADLP CC[N@@H+](CCCO)C[C@@H]1C[NH2+]CCO1 ZINC000662257147 412051575 /nfs/dbraw/zinc/05/15/75/412051575.db2.gz QEUCLEHOVYPXHF-JTQLQIEISA-N 2 2 202.298 -0.321 20 0 BBADLP CC[N@H+](CCCO)C[C@@H]1C[NH2+]CCO1 ZINC000662257147 412051571 /nfs/dbraw/zinc/05/15/71/412051571.db2.gz QEUCLEHOVYPXHF-JTQLQIEISA-N 2 2 202.298 -0.321 20 0 BBADLP CC[N@@H+](CCCO)C[C@H]1C[NH2+]CCO1 ZINC000662257148 412052297 /nfs/dbraw/zinc/05/22/97/412052297.db2.gz QEUCLEHOVYPXHF-SNVBAGLBSA-N 2 2 202.298 -0.321 20 0 BBADLP CC[N@H+](CCCO)C[C@H]1C[NH2+]CCO1 ZINC000662257148 412052295 /nfs/dbraw/zinc/05/22/95/412052295.db2.gz QEUCLEHOVYPXHF-SNVBAGLBSA-N 2 2 202.298 -0.321 20 0 BBADLP COC[C@@](C)(CCO)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000662257774 409557530 /nfs/dbraw/zinc/55/75/30/409557530.db2.gz GIATWZPEJQDFPE-GHMZBOCLSA-N 2 2 232.324 -0.648 20 0 BBADLP COC[C@](C)(CCO)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000662257776 409556624 /nfs/dbraw/zinc/55/66/24/409556624.db2.gz GIATWZPEJQDFPE-MNOVXSKESA-N 2 2 232.324 -0.648 20 0 BBADLP COC[C@](C)(CCO)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000662257778 409557996 /nfs/dbraw/zinc/55/79/96/409557996.db2.gz GIATWZPEJQDFPE-QWRGUYRKSA-N 2 2 232.324 -0.648 20 0 BBADLP COC[C@@](C)(CCO)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000662257779 409555430 /nfs/dbraw/zinc/55/54/30/409555430.db2.gz GIATWZPEJQDFPE-WDEREUQCSA-N 2 2 232.324 -0.648 20 0 BBADLP OCC[C@@H]1CSCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662259109 412053195 /nfs/dbraw/zinc/05/31/95/412053195.db2.gz QCSXJFXXFGVALZ-GHMZBOCLSA-N 2 2 246.376 -0.225 20 0 BBADLP OCC[C@@H]1CSCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662259109 412053194 /nfs/dbraw/zinc/05/31/94/412053194.db2.gz QCSXJFXXFGVALZ-GHMZBOCLSA-N 2 2 246.376 -0.225 20 0 BBADLP OCC[C@@H]1CSCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662259110 412054872 /nfs/dbraw/zinc/05/48/72/412054872.db2.gz QCSXJFXXFGVALZ-MNOVXSKESA-N 2 2 246.376 -0.225 20 0 BBADLP OCC[C@@H]1CSCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662259110 412054871 /nfs/dbraw/zinc/05/48/71/412054871.db2.gz QCSXJFXXFGVALZ-MNOVXSKESA-N 2 2 246.376 -0.225 20 0 BBADLP OCC[C@H]1CSCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662259111 412053619 /nfs/dbraw/zinc/05/36/19/412053619.db2.gz QCSXJFXXFGVALZ-QWRGUYRKSA-N 2 2 246.376 -0.225 20 0 BBADLP OCC[C@H]1CSCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662259111 412053616 /nfs/dbraw/zinc/05/36/16/412053616.db2.gz QCSXJFXXFGVALZ-QWRGUYRKSA-N 2 2 246.376 -0.225 20 0 BBADLP OCC[C@H]1CSCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662259112 412053990 /nfs/dbraw/zinc/05/39/90/412053990.db2.gz QCSXJFXXFGVALZ-WDEREUQCSA-N 2 2 246.376 -0.225 20 0 BBADLP OCC[C@H]1CSCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662259112 412053986 /nfs/dbraw/zinc/05/39/86/412053986.db2.gz QCSXJFXXFGVALZ-WDEREUQCSA-N 2 2 246.376 -0.225 20 0 BBADLP NC(=O)C1([NH2+]C[C@@H]2C[NH2+]CCO2)CCCCC1 ZINC000662259201 412054326 /nfs/dbraw/zinc/05/43/26/412054326.db2.gz RUXKAAGDXWKINE-JTQLQIEISA-N 2 2 241.335 -0.247 20 0 BBADLP NC(=O)C1([NH2+]C[C@H]2C[NH2+]CCO2)CCCCC1 ZINC000662259202 412054707 /nfs/dbraw/zinc/05/47/07/412054707.db2.gz RUXKAAGDXWKINE-SNVBAGLBSA-N 2 2 241.335 -0.247 20 0 BBADLP CC(C)(C)[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)C(N)=O ZINC000662259230 412054768 /nfs/dbraw/zinc/05/47/68/412054768.db2.gz SPJIOJVWIFMGTD-DTWKUNHWSA-N 2 2 229.324 -0.536 20 0 BBADLP CC(C)(C)[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)C(N)=O ZINC000662259231 412053773 /nfs/dbraw/zinc/05/37/73/412053773.db2.gz SPJIOJVWIFMGTD-RKDXNWHRSA-N 2 2 229.324 -0.536 20 0 BBADLP COC[C@@H](C[N@H+]1CCO[C@H](C[NH3+])C1)OC ZINC000662263927 409554558 /nfs/dbraw/zinc/55/45/58/409554558.db2.gz AIQBDSYGQUIUDY-NXEZZACHSA-N 2 2 218.297 -0.693 20 0 BBADLP COC[C@@H](C[N@@H+]1CCO[C@H](C[NH3+])C1)OC ZINC000662263927 409554549 /nfs/dbraw/zinc/55/45/49/409554549.db2.gz AIQBDSYGQUIUDY-NXEZZACHSA-N 2 2 218.297 -0.693 20 0 BBADLP COC[C@H](C[N@H+]1CCO[C@@H](C[NH3+])C1)OC ZINC000662263937 409555614 /nfs/dbraw/zinc/55/56/14/409555614.db2.gz AIQBDSYGQUIUDY-UWVGGRQHSA-N 2 2 218.297 -0.693 20 0 BBADLP COC[C@H](C[N@@H+]1CCO[C@@H](C[NH3+])C1)OC ZINC000662263937 409555610 /nfs/dbraw/zinc/55/56/10/409555610.db2.gz AIQBDSYGQUIUDY-UWVGGRQHSA-N 2 2 218.297 -0.693 20 0 BBADLP COC[C@@H](C[N@H+]1CCO[C@@H](C[NH3+])C1)OC ZINC000662263944 409555539 /nfs/dbraw/zinc/55/55/39/409555539.db2.gz AIQBDSYGQUIUDY-VHSXEESVSA-N 2 2 218.297 -0.693 20 0 BBADLP COC[C@@H](C[N@@H+]1CCO[C@@H](C[NH3+])C1)OC ZINC000662263944 409555531 /nfs/dbraw/zinc/55/55/31/409555531.db2.gz AIQBDSYGQUIUDY-VHSXEESVSA-N 2 2 218.297 -0.693 20 0 BBADLP COC[C@H](C[N@H+]1CCO[C@H](C[NH3+])C1)OC ZINC000662263948 409554430 /nfs/dbraw/zinc/55/44/30/409554430.db2.gz AIQBDSYGQUIUDY-ZJUUUORDSA-N 2 2 218.297 -0.693 20 0 BBADLP COC[C@H](C[N@@H+]1CCO[C@H](C[NH3+])C1)OC ZINC000662263948 409554419 /nfs/dbraw/zinc/55/44/19/409554419.db2.gz AIQBDSYGQUIUDY-ZJUUUORDSA-N 2 2 218.297 -0.693 20 0 BBADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662264659 409561347 /nfs/dbraw/zinc/56/13/47/409561347.db2.gz FBKMFYVAHASNGW-AXFHLTTASA-N 3 2 213.325 -0.356 20 0 BBADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662264659 409561335 /nfs/dbraw/zinc/56/13/35/409561335.db2.gz FBKMFYVAHASNGW-AXFHLTTASA-N 3 2 213.325 -0.356 20 0 BBADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662264923 409558987 /nfs/dbraw/zinc/55/89/87/409558987.db2.gz FBKMFYVAHASNGW-DCAQKATOSA-N 3 2 213.325 -0.356 20 0 BBADLP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662264923 409558981 /nfs/dbraw/zinc/55/89/81/409558981.db2.gz FBKMFYVAHASNGW-DCAQKATOSA-N 3 2 213.325 -0.356 20 0 BBADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662264924 409561021 /nfs/dbraw/zinc/56/10/21/409561021.db2.gz FBKMFYVAHASNGW-GARJFASQSA-N 3 2 213.325 -0.356 20 0 BBADLP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662264924 409561014 /nfs/dbraw/zinc/56/10/14/409561014.db2.gz FBKMFYVAHASNGW-GARJFASQSA-N 3 2 213.325 -0.356 20 0 BBADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662264927 409559910 /nfs/dbraw/zinc/55/99/10/409559910.db2.gz FBKMFYVAHASNGW-HBNTYKKESA-N 3 2 213.325 -0.356 20 0 BBADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662264927 409559899 /nfs/dbraw/zinc/55/98/99/409559899.db2.gz FBKMFYVAHASNGW-HBNTYKKESA-N 3 2 213.325 -0.356 20 0 BBADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662265923 412058253 /nfs/dbraw/zinc/05/82/53/412058253.db2.gz UFETVGVVGQGXKX-GMTAPVOTSA-N 3 2 213.325 -0.356 20 0 BBADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662265923 412058250 /nfs/dbraw/zinc/05/82/50/412058250.db2.gz UFETVGVVGQGXKX-GMTAPVOTSA-N 3 2 213.325 -0.356 20 0 BBADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662265924 412059036 /nfs/dbraw/zinc/05/90/36/412059036.db2.gz UFETVGVVGQGXKX-MXWKQRLJSA-N 3 2 213.325 -0.356 20 0 BBADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662265924 412059034 /nfs/dbraw/zinc/05/90/34/412059034.db2.gz UFETVGVVGQGXKX-MXWKQRLJSA-N 3 2 213.325 -0.356 20 0 BBADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662265925 412058695 /nfs/dbraw/zinc/05/86/95/412058695.db2.gz UFETVGVVGQGXKX-OUAUKWLOSA-N 3 2 213.325 -0.356 20 0 BBADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662265925 412058690 /nfs/dbraw/zinc/05/86/90/412058690.db2.gz UFETVGVVGQGXKX-OUAUKWLOSA-N 3 2 213.325 -0.356 20 0 BBADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662265926 412059130 /nfs/dbraw/zinc/05/91/30/412059130.db2.gz UFETVGVVGQGXKX-VWYCJHECSA-N 3 2 213.325 -0.356 20 0 BBADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662265926 412059128 /nfs/dbraw/zinc/05/91/28/412059128.db2.gz UFETVGVVGQGXKX-VWYCJHECSA-N 3 2 213.325 -0.356 20 0 BBADLP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662267853 412060558 /nfs/dbraw/zinc/06/05/58/412060558.db2.gz ZLSAUHXKNUUWFW-GHMZBOCLSA-N 3 2 241.335 -0.833 20 0 BBADLP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662267853 412060555 /nfs/dbraw/zinc/06/05/55/412060555.db2.gz ZLSAUHXKNUUWFW-GHMZBOCLSA-N 3 2 241.335 -0.833 20 0 BBADLP [NH3+]C[C@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662267860 412059565 /nfs/dbraw/zinc/05/95/65/412059565.db2.gz ZLSAUHXKNUUWFW-MNOVXSKESA-N 3 2 241.335 -0.833 20 0 BBADLP [NH3+]C[C@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662267860 412059558 /nfs/dbraw/zinc/05/95/58/412059558.db2.gz ZLSAUHXKNUUWFW-MNOVXSKESA-N 3 2 241.335 -0.833 20 0 BBADLP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662267862 412061477 /nfs/dbraw/zinc/06/14/77/412061477.db2.gz ZLSAUHXKNUUWFW-QWRGUYRKSA-N 3 2 241.335 -0.833 20 0 BBADLP [NH3+]C[C@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662267862 412061472 /nfs/dbraw/zinc/06/14/72/412061472.db2.gz ZLSAUHXKNUUWFW-QWRGUYRKSA-N 3 2 241.335 -0.833 20 0 BBADLP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662267864 412060220 /nfs/dbraw/zinc/06/02/20/412060220.db2.gz ZLSAUHXKNUUWFW-WDEREUQCSA-N 3 2 241.335 -0.833 20 0 BBADLP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662267864 412060218 /nfs/dbraw/zinc/06/02/18/412060218.db2.gz ZLSAUHXKNUUWFW-WDEREUQCSA-N 3 2 241.335 -0.833 20 0 BBADLP C[C@]1(C[NH3+])CC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662273215 409580819 /nfs/dbraw/zinc/58/08/19/409580819.db2.gz NAJGRDZAEFRZTE-GHMZBOCLSA-N 3 2 213.325 -0.355 20 0 BBADLP C[C@]1(C[NH3+])CC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662273215 409580811 /nfs/dbraw/zinc/58/08/11/409580811.db2.gz NAJGRDZAEFRZTE-GHMZBOCLSA-N 3 2 213.325 -0.355 20 0 BBADLP C[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662273218 409581574 /nfs/dbraw/zinc/58/15/74/409581574.db2.gz NAJGRDZAEFRZTE-MNOVXSKESA-N 3 2 213.325 -0.355 20 0 BBADLP C[C@@]1(C[NH3+])CC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662273218 409581567 /nfs/dbraw/zinc/58/15/67/409581567.db2.gz NAJGRDZAEFRZTE-MNOVXSKESA-N 3 2 213.325 -0.355 20 0 BBADLP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662273234 409581697 /nfs/dbraw/zinc/58/16/97/409581697.db2.gz NAJGRDZAEFRZTE-QWRGUYRKSA-N 3 2 213.325 -0.355 20 0 BBADLP C[C@@]1(C[NH3+])CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662273234 409581688 /nfs/dbraw/zinc/58/16/88/409581688.db2.gz NAJGRDZAEFRZTE-QWRGUYRKSA-N 3 2 213.325 -0.355 20 0 BBADLP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662273235 409580473 /nfs/dbraw/zinc/58/04/73/409580473.db2.gz NAJGRDZAEFRZTE-WDEREUQCSA-N 3 2 213.325 -0.355 20 0 BBADLP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662273235 409580466 /nfs/dbraw/zinc/58/04/66/409580466.db2.gz NAJGRDZAEFRZTE-WDEREUQCSA-N 3 2 213.325 -0.355 20 0 BBADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662274083 412065591 /nfs/dbraw/zinc/06/55/91/412065591.db2.gz QYQITRYZFLAECR-FRRDWIJNSA-N 3 2 239.363 -0.094 20 0 BBADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662274083 412065585 /nfs/dbraw/zinc/06/55/85/412065585.db2.gz QYQITRYZFLAECR-FRRDWIJNSA-N 3 2 239.363 -0.094 20 0 BBADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662274084 412065552 /nfs/dbraw/zinc/06/55/52/412065552.db2.gz QYQITRYZFLAECR-XQQFMLRXSA-N 3 2 239.363 -0.094 20 0 BBADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662274084 412065549 /nfs/dbraw/zinc/06/55/49/412065549.db2.gz QYQITRYZFLAECR-XQQFMLRXSA-N 3 2 239.363 -0.094 20 0 BBADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662275601 412067906 /nfs/dbraw/zinc/06/79/06/412067906.db2.gz CRVHHRFPDSVZGR-AXFHLTTASA-N 3 2 225.336 -0.071 20 0 BBADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662275601 412067901 /nfs/dbraw/zinc/06/79/01/412067901.db2.gz CRVHHRFPDSVZGR-AXFHLTTASA-N 3 2 225.336 -0.071 20 0 BBADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662275602 412067481 /nfs/dbraw/zinc/06/74/81/412067481.db2.gz CRVHHRFPDSVZGR-DCAQKATOSA-N 3 2 225.336 -0.071 20 0 BBADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662275602 412067480 /nfs/dbraw/zinc/06/74/80/412067480.db2.gz CRVHHRFPDSVZGR-DCAQKATOSA-N 3 2 225.336 -0.071 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@H]1[NH3+] ZINC000662276517 412068938 /nfs/dbraw/zinc/06/89/38/412068938.db2.gz JJVHJRADJLZQTN-GMTAPVOTSA-N 3 2 225.336 -0.214 20 0 BBADLP C[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@H]1[NH3+] ZINC000662276517 412068934 /nfs/dbraw/zinc/06/89/34/412068934.db2.gz JJVHJRADJLZQTN-GMTAPVOTSA-N 3 2 225.336 -0.214 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@H]1[NH3+] ZINC000662276519 412069454 /nfs/dbraw/zinc/06/94/54/412069454.db2.gz JJVHJRADJLZQTN-OUAUKWLOSA-N 3 2 225.336 -0.214 20 0 BBADLP C[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@H]1[NH3+] ZINC000662276519 412069451 /nfs/dbraw/zinc/06/94/51/412069451.db2.gz JJVHJRADJLZQTN-OUAUKWLOSA-N 3 2 225.336 -0.214 20 0 BBADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000662276832 412068983 /nfs/dbraw/zinc/06/89/83/412068983.db2.gz LMYFIXWDBBKJIN-GHMZBOCLSA-N 3 2 227.352 -0.048 20 0 BBADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000662276833 412068788 /nfs/dbraw/zinc/06/87/88/412068788.db2.gz LMYFIXWDBBKJIN-MNOVXSKESA-N 3 2 227.352 -0.048 20 0 BBADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000662276834 412069688 /nfs/dbraw/zinc/06/96/88/412069688.db2.gz LMYFIXWDBBKJIN-QWRGUYRKSA-N 3 2 227.352 -0.048 20 0 BBADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000662276835 412068661 /nfs/dbraw/zinc/06/86/61/412068661.db2.gz LMYFIXWDBBKJIN-WDEREUQCSA-N 3 2 227.352 -0.048 20 0 BBADLP COC[C@H](C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1)OC ZINC000662277251 412069778 /nfs/dbraw/zinc/06/97/78/412069778.db2.gz OCVWNEKNWOYHQZ-KXUCPTDWSA-N 2 2 202.298 -0.073 20 0 BBADLP COC[C@H](C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1)OC ZINC000662277251 412069775 /nfs/dbraw/zinc/06/97/75/412069775.db2.gz OCVWNEKNWOYHQZ-KXUCPTDWSA-N 2 2 202.298 -0.073 20 0 BBADLP Cc1cc(C[N@@H+](C)C[C@H](O)C[NH3+])nc(C)n1 ZINC000662277669 412068921 /nfs/dbraw/zinc/06/89/21/412068921.db2.gz RSFQPDFPYIKUBV-LLVKDONJSA-N 2 2 224.308 -0.155 20 0 BBADLP Cc1cc(C[N@H+](C)C[C@H](O)C[NH3+])nc(C)n1 ZINC000662277669 412068918 /nfs/dbraw/zinc/06/89/18/412068918.db2.gz RSFQPDFPYIKUBV-LLVKDONJSA-N 2 2 224.308 -0.155 20 0 BBADLP Cc1cc(C[N@@H+](C)C[C@@H](O)C[NH3+])nc(C)n1 ZINC000662277670 412068607 /nfs/dbraw/zinc/06/86/07/412068607.db2.gz RSFQPDFPYIKUBV-NSHDSACASA-N 2 2 224.308 -0.155 20 0 BBADLP Cc1cc(C[N@H+](C)C[C@@H](O)C[NH3+])nc(C)n1 ZINC000662277670 412068604 /nfs/dbraw/zinc/06/86/04/412068604.db2.gz RSFQPDFPYIKUBV-NSHDSACASA-N 2 2 224.308 -0.155 20 0 BBADLP C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1[NH3+] ZINC000662278123 409597126 /nfs/dbraw/zinc/59/71/26/409597126.db2.gz WFIPHOJVUTULHJ-BBBLOLIVSA-N 2 2 211.309 -0.114 20 0 BBADLP C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1[NH3+] ZINC000662278123 409597121 /nfs/dbraw/zinc/59/71/21/409597121.db2.gz WFIPHOJVUTULHJ-BBBLOLIVSA-N 2 2 211.309 -0.114 20 0 BBADLP C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1[NH3+] ZINC000662278128 409596123 /nfs/dbraw/zinc/59/61/23/409596123.db2.gz WFIPHOJVUTULHJ-OPRDCNLKSA-N 2 2 211.309 -0.114 20 0 BBADLP C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1[NH3+] ZINC000662278128 409596117 /nfs/dbraw/zinc/59/61/17/409596117.db2.gz WFIPHOJVUTULHJ-OPRDCNLKSA-N 2 2 211.309 -0.114 20 0 BBADLP CCc1nocc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000662278456 409597881 /nfs/dbraw/zinc/59/78/81/409597881.db2.gz XTRNAKZIICDZGU-SECBINFHSA-N 2 2 213.281 -0.012 20 0 BBADLP CCc1nocc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000662278456 409597871 /nfs/dbraw/zinc/59/78/71/409597871.db2.gz XTRNAKZIICDZGU-SECBINFHSA-N 2 2 213.281 -0.012 20 0 BBADLP CCc1nocc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000662278457 409596355 /nfs/dbraw/zinc/59/63/55/409596355.db2.gz XTRNAKZIICDZGU-VIFPVBQESA-N 2 2 213.281 -0.012 20 0 BBADLP CCc1nocc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000662278457 409596347 /nfs/dbraw/zinc/59/63/47/409596347.db2.gz XTRNAKZIICDZGU-VIFPVBQESA-N 2 2 213.281 -0.012 20 0 BBADLP CC(C)C(=O)NCC[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000662279503 412071470 /nfs/dbraw/zinc/07/14/70/412071470.db2.gz KRRSMHDSRUSPRA-LLVKDONJSA-N 2 2 243.351 -0.321 20 0 BBADLP CC(C)C(=O)NCC[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000662279503 412071467 /nfs/dbraw/zinc/07/14/67/412071467.db2.gz KRRSMHDSRUSPRA-LLVKDONJSA-N 2 2 243.351 -0.321 20 0 BBADLP CC(C)C(=O)NCC[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000662279504 412071438 /nfs/dbraw/zinc/07/14/38/412071438.db2.gz KRRSMHDSRUSPRA-NSHDSACASA-N 2 2 243.351 -0.321 20 0 BBADLP CC(C)C(=O)NCC[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000662279504 412071436 /nfs/dbraw/zinc/07/14/36/412071436.db2.gz KRRSMHDSRUSPRA-NSHDSACASA-N 2 2 243.351 -0.321 20 0 BBADLP C[N@@H+](C[C@@H]1C[NH2+]CCO1)C1(C(N)=O)CCCC1 ZINC000662279584 409599841 /nfs/dbraw/zinc/59/98/41/409599841.db2.gz VZTOGBDJRNCPJM-JTQLQIEISA-N 2 2 241.335 -0.295 20 0 BBADLP C[N@H+](C[C@@H]1C[NH2+]CCO1)C1(C(N)=O)CCCC1 ZINC000662279584 409599836 /nfs/dbraw/zinc/59/98/36/409599836.db2.gz VZTOGBDJRNCPJM-JTQLQIEISA-N 2 2 241.335 -0.295 20 0 BBADLP C[N@@H+](C[C@H]1C[NH2+]CCO1)C1(C(N)=O)CCCC1 ZINC000662279586 409599678 /nfs/dbraw/zinc/59/96/78/409599678.db2.gz VZTOGBDJRNCPJM-SNVBAGLBSA-N 2 2 241.335 -0.295 20 0 BBADLP C[N@H+](C[C@H]1C[NH2+]CCO1)C1(C(N)=O)CCCC1 ZINC000662279586 409599672 /nfs/dbraw/zinc/59/96/72/409599672.db2.gz VZTOGBDJRNCPJM-SNVBAGLBSA-N 2 2 241.335 -0.295 20 0 BBADLP CN(C)C(=O)NCC[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000662280723 409600576 /nfs/dbraw/zinc/60/05/76/409600576.db2.gz PHZPBTIKXRWTSB-JTQLQIEISA-N 2 2 244.339 -0.822 20 0 BBADLP CN(C)C(=O)NCC[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000662280723 409600568 /nfs/dbraw/zinc/60/05/68/409600568.db2.gz PHZPBTIKXRWTSB-JTQLQIEISA-N 2 2 244.339 -0.822 20 0 BBADLP CN(C)C(=O)NCC[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000662280724 409600190 /nfs/dbraw/zinc/60/01/90/409600190.db2.gz PHZPBTIKXRWTSB-SNVBAGLBSA-N 2 2 244.339 -0.822 20 0 BBADLP CN(C)C(=O)NCC[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000662280724 409600185 /nfs/dbraw/zinc/60/01/85/409600185.db2.gz PHZPBTIKXRWTSB-SNVBAGLBSA-N 2 2 244.339 -0.822 20 0 BBADLP C[C@H](Cn1cccn1)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000662281097 412072808 /nfs/dbraw/zinc/07/28/08/412072808.db2.gz IGFQQNAFRUWGPK-GHMZBOCLSA-N 2 2 224.308 -0.150 20 0 BBADLP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000662281099 412072992 /nfs/dbraw/zinc/07/29/92/412072992.db2.gz IGFQQNAFRUWGPK-MNOVXSKESA-N 2 2 224.308 -0.150 20 0 BBADLP C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000662281100 412071896 /nfs/dbraw/zinc/07/18/96/412071896.db2.gz IGFQQNAFRUWGPK-QWRGUYRKSA-N 2 2 224.308 -0.150 20 0 BBADLP C[C@@H](Cn1cccn1)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000662281101 412073455 /nfs/dbraw/zinc/07/34/55/412073455.db2.gz IGFQQNAFRUWGPK-WDEREUQCSA-N 2 2 224.308 -0.150 20 0 BBADLP CCN1CC[C@@H]([N@H+]2CCCO[C@H](C[NH3+])C2)C1=O ZINC000662281547 412073392 /nfs/dbraw/zinc/07/33/92/412073392.db2.gz NRPVMCQIOLUXDI-GHMZBOCLSA-N 2 2 241.335 -0.343 20 0 BBADLP CCN1CC[C@@H]([N@@H+]2CCCO[C@H](C[NH3+])C2)C1=O ZINC000662281547 412073390 /nfs/dbraw/zinc/07/33/90/412073390.db2.gz NRPVMCQIOLUXDI-GHMZBOCLSA-N 2 2 241.335 -0.343 20 0 BBADLP CCN1CC[C@H]([N@H+]2CCCO[C@H](C[NH3+])C2)C1=O ZINC000662281548 412072482 /nfs/dbraw/zinc/07/24/82/412072482.db2.gz NRPVMCQIOLUXDI-MNOVXSKESA-N 2 2 241.335 -0.343 20 0 BBADLP CCN1CC[C@H]([N@@H+]2CCCO[C@H](C[NH3+])C2)C1=O ZINC000662281548 412072479 /nfs/dbraw/zinc/07/24/79/412072479.db2.gz NRPVMCQIOLUXDI-MNOVXSKESA-N 2 2 241.335 -0.343 20 0 BBADLP CCN1CC[C@H]([N@H+]2CCCO[C@@H](C[NH3+])C2)C1=O ZINC000662281549 412073404 /nfs/dbraw/zinc/07/34/04/412073404.db2.gz NRPVMCQIOLUXDI-QWRGUYRKSA-N 2 2 241.335 -0.343 20 0 BBADLP CCN1CC[C@H]([N@@H+]2CCCO[C@@H](C[NH3+])C2)C1=O ZINC000662281549 412073400 /nfs/dbraw/zinc/07/34/00/412073400.db2.gz NRPVMCQIOLUXDI-QWRGUYRKSA-N 2 2 241.335 -0.343 20 0 BBADLP CCN1CC[C@@H]([N@H+]2CCCO[C@@H](C[NH3+])C2)C1=O ZINC000662281550 412073261 /nfs/dbraw/zinc/07/32/61/412073261.db2.gz NRPVMCQIOLUXDI-WDEREUQCSA-N 2 2 241.335 -0.343 20 0 BBADLP CCN1CC[C@@H]([N@@H+]2CCCO[C@@H](C[NH3+])C2)C1=O ZINC000662281550 412073259 /nfs/dbraw/zinc/07/32/59/412073259.db2.gz NRPVMCQIOLUXDI-WDEREUQCSA-N 2 2 241.335 -0.343 20 0 BBADLP CN1CCC[C@@H]([N@H+]2CCCO[C@H](C[NH3+])C2)C1=O ZINC000662282442 412072457 /nfs/dbraw/zinc/07/24/57/412072457.db2.gz VGPPTPCVCHEERS-GHMZBOCLSA-N 2 2 241.335 -0.343 20 0 BBADLP CN1CCC[C@@H]([N@@H+]2CCCO[C@H](C[NH3+])C2)C1=O ZINC000662282442 412072454 /nfs/dbraw/zinc/07/24/54/412072454.db2.gz VGPPTPCVCHEERS-GHMZBOCLSA-N 2 2 241.335 -0.343 20 0 BBADLP CN1CCC[C@H]([N@H+]2CCCO[C@H](C[NH3+])C2)C1=O ZINC000662282443 412073153 /nfs/dbraw/zinc/07/31/53/412073153.db2.gz VGPPTPCVCHEERS-MNOVXSKESA-N 2 2 241.335 -0.343 20 0 BBADLP CN1CCC[C@H]([N@@H+]2CCCO[C@H](C[NH3+])C2)C1=O ZINC000662282443 412073152 /nfs/dbraw/zinc/07/31/52/412073152.db2.gz VGPPTPCVCHEERS-MNOVXSKESA-N 2 2 241.335 -0.343 20 0 BBADLP CN1CCC[C@H]([N@H+]2CCCO[C@@H](C[NH3+])C2)C1=O ZINC000662282444 412072753 /nfs/dbraw/zinc/07/27/53/412072753.db2.gz VGPPTPCVCHEERS-QWRGUYRKSA-N 2 2 241.335 -0.343 20 0 BBADLP CN1CCC[C@H]([N@@H+]2CCCO[C@@H](C[NH3+])C2)C1=O ZINC000662282444 412072751 /nfs/dbraw/zinc/07/27/51/412072751.db2.gz VGPPTPCVCHEERS-QWRGUYRKSA-N 2 2 241.335 -0.343 20 0 BBADLP CN1CCC[C@@H]([N@H+]2CCCO[C@@H](C[NH3+])C2)C1=O ZINC000662282445 412072817 /nfs/dbraw/zinc/07/28/17/412072817.db2.gz VGPPTPCVCHEERS-WDEREUQCSA-N 2 2 241.335 -0.343 20 0 BBADLP CN1CCC[C@@H]([N@@H+]2CCCO[C@@H](C[NH3+])C2)C1=O ZINC000662282445 412072816 /nfs/dbraw/zinc/07/28/16/412072816.db2.gz VGPPTPCVCHEERS-WDEREUQCSA-N 2 2 241.335 -0.343 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662283274 409611687 /nfs/dbraw/zinc/61/16/87/409611687.db2.gz GTNCFTXDLNUUSR-GMTAPVOTSA-N 3 2 213.325 -0.214 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662283274 409611679 /nfs/dbraw/zinc/61/16/79/409611679.db2.gz GTNCFTXDLNUUSR-GMTAPVOTSA-N 3 2 213.325 -0.214 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662283275 409611616 /nfs/dbraw/zinc/61/16/16/409611616.db2.gz GTNCFTXDLNUUSR-MXWKQRLJSA-N 3 2 213.325 -0.214 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662283275 409611613 /nfs/dbraw/zinc/61/16/13/409611613.db2.gz GTNCFTXDLNUUSR-MXWKQRLJSA-N 3 2 213.325 -0.214 20 0 BBADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662283276 409611402 /nfs/dbraw/zinc/61/14/02/409611402.db2.gz GTNCFTXDLNUUSR-OUAUKWLOSA-N 3 2 213.325 -0.214 20 0 BBADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662283276 409611397 /nfs/dbraw/zinc/61/13/97/409611397.db2.gz GTNCFTXDLNUUSR-OUAUKWLOSA-N 3 2 213.325 -0.214 20 0 BBADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662283277 409611149 /nfs/dbraw/zinc/61/11/49/409611149.db2.gz GTNCFTXDLNUUSR-VWYCJHECSA-N 3 2 213.325 -0.214 20 0 BBADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662283277 409611142 /nfs/dbraw/zinc/61/11/42/409611142.db2.gz GTNCFTXDLNUUSR-VWYCJHECSA-N 3 2 213.325 -0.214 20 0 BBADLP OCC1([NH2+]C[C@@H]2C[NH2+]CCO2)CCCC1 ZINC000662283609 412074584 /nfs/dbraw/zinc/07/45/84/412074584.db2.gz BOMWGNBTXOONFB-JTQLQIEISA-N 2 2 214.309 -0.131 20 0 BBADLP OCC1([NH2+]C[C@H]2C[NH2+]CCO2)CCCC1 ZINC000662283610 412074937 /nfs/dbraw/zinc/07/49/37/412074937.db2.gz BOMWGNBTXOONFB-SNVBAGLBSA-N 2 2 214.309 -0.131 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC(=O)N1 ZINC000662284231 412076154 /nfs/dbraw/zinc/07/61/54/412076154.db2.gz MDIODKBIUMYTGU-NXEZZACHSA-N 2 2 239.319 -0.672 20 0 BBADLP C[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC(=O)N1 ZINC000662284231 412076152 /nfs/dbraw/zinc/07/61/52/412076152.db2.gz MDIODKBIUMYTGU-NXEZZACHSA-N 2 2 239.319 -0.672 20 0 BBADLP C[C@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC(=O)N1 ZINC000662284233 412074567 /nfs/dbraw/zinc/07/45/67/412074567.db2.gz MDIODKBIUMYTGU-UWVGGRQHSA-N 2 2 239.319 -0.672 20 0 BBADLP C[C@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC(=O)N1 ZINC000662284233 412074565 /nfs/dbraw/zinc/07/45/65/412074565.db2.gz MDIODKBIUMYTGU-UWVGGRQHSA-N 2 2 239.319 -0.672 20 0 BBADLP C[C@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC(=O)N1 ZINC000662284235 412074717 /nfs/dbraw/zinc/07/47/17/412074717.db2.gz MDIODKBIUMYTGU-VHSXEESVSA-N 2 2 239.319 -0.672 20 0 BBADLP C[C@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC(=O)N1 ZINC000662284235 412074714 /nfs/dbraw/zinc/07/47/14/412074714.db2.gz MDIODKBIUMYTGU-VHSXEESVSA-N 2 2 239.319 -0.672 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC(=O)N1 ZINC000662284237 412075374 /nfs/dbraw/zinc/07/53/74/412075374.db2.gz MDIODKBIUMYTGU-ZJUUUORDSA-N 2 2 239.319 -0.672 20 0 BBADLP C[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC(=O)N1 ZINC000662284237 412075369 /nfs/dbraw/zinc/07/53/69/412075369.db2.gz MDIODKBIUMYTGU-ZJUUUORDSA-N 2 2 239.319 -0.672 20 0 BBADLP CCO[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000662284431 412074951 /nfs/dbraw/zinc/07/49/51/412074951.db2.gz HODFLQKZWGHWRJ-GRYCIOLGSA-N 3 2 243.351 -0.730 20 0 BBADLP CCO[C@@H]1C[N@H+](C[C@@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000662284431 412074950 /nfs/dbraw/zinc/07/49/50/412074950.db2.gz HODFLQKZWGHWRJ-GRYCIOLGSA-N 3 2 243.351 -0.730 20 0 BBADLP CCO[C@@H]1C[N@@H+](C[C@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000662284433 412075573 /nfs/dbraw/zinc/07/55/73/412075573.db2.gz HODFLQKZWGHWRJ-IJLUTSLNSA-N 3 2 243.351 -0.730 20 0 BBADLP CCO[C@@H]1C[N@H+](C[C@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000662284433 412075569 /nfs/dbraw/zinc/07/55/69/412075569.db2.gz HODFLQKZWGHWRJ-IJLUTSLNSA-N 3 2 243.351 -0.730 20 0 BBADLP C[C@@H]1CC[N@@H+](C[C@H]2C[NH2+]CCO2)C[C@@H]1C[NH3+] ZINC000662284455 412074431 /nfs/dbraw/zinc/07/44/31/412074431.db2.gz YIHOLPLNXUOZGV-GRYCIOLGSA-N 3 2 227.352 -0.109 20 0 BBADLP C[C@@H]1CC[N@H+](C[C@H]2C[NH2+]CCO2)C[C@@H]1C[NH3+] ZINC000662284455 412074429 /nfs/dbraw/zinc/07/44/29/412074429.db2.gz YIHOLPLNXUOZGV-GRYCIOLGSA-N 3 2 227.352 -0.109 20 0 BBADLP C[C@@H]1CC[N@@H+](C[C@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000662284456 412074839 /nfs/dbraw/zinc/07/48/39/412074839.db2.gz YIHOLPLNXUOZGV-IJLUTSLNSA-N 3 2 227.352 -0.109 20 0 BBADLP C[C@@H]1CC[N@H+](C[C@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000662284456 412074836 /nfs/dbraw/zinc/07/48/36/412074836.db2.gz YIHOLPLNXUOZGV-IJLUTSLNSA-N 3 2 227.352 -0.109 20 0 BBADLP C[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000662284457 412075963 /nfs/dbraw/zinc/07/59/63/412075963.db2.gz YIHOLPLNXUOZGV-UTUOFQBUSA-N 3 2 227.352 -0.109 20 0 BBADLP C[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000662284457 412075960 /nfs/dbraw/zinc/07/59/60/412075960.db2.gz YIHOLPLNXUOZGV-UTUOFQBUSA-N 3 2 227.352 -0.109 20 0 BBADLP C[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C[C@@H]1C[NH3+] ZINC000662284458 412075435 /nfs/dbraw/zinc/07/54/35/412075435.db2.gz YIHOLPLNXUOZGV-WOPDTQHZSA-N 3 2 227.352 -0.109 20 0 BBADLP C[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)C[C@@H]1C[NH3+] ZINC000662284458 412075430 /nfs/dbraw/zinc/07/54/30/412075430.db2.gz YIHOLPLNXUOZGV-WOPDTQHZSA-N 3 2 227.352 -0.109 20 0 BBADLP C[C@H](O)C[N@@H+](C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000662284841 409618934 /nfs/dbraw/zinc/61/89/34/409618934.db2.gz PYTHXUZADDCTLA-GXSJLCMTSA-N 2 2 214.309 -0.180 20 0 BBADLP C[C@H](O)C[N@H+](C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000662284841 409618929 /nfs/dbraw/zinc/61/89/29/409618929.db2.gz PYTHXUZADDCTLA-GXSJLCMTSA-N 2 2 214.309 -0.180 20 0 BBADLP C[C@@H](O)C[N@@H+](C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000662284843 409619272 /nfs/dbraw/zinc/61/92/72/409619272.db2.gz PYTHXUZADDCTLA-KOLCDFICSA-N 2 2 214.309 -0.180 20 0 BBADLP C[C@@H](O)C[N@H+](C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000662284843 409619268 /nfs/dbraw/zinc/61/92/68/409619268.db2.gz PYTHXUZADDCTLA-KOLCDFICSA-N 2 2 214.309 -0.180 20 0 BBADLP C[C@@H](O)C[N@@H+](C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000662284845 409618422 /nfs/dbraw/zinc/61/84/22/409618422.db2.gz PYTHXUZADDCTLA-MWLCHTKSSA-N 2 2 214.309 -0.180 20 0 BBADLP C[C@@H](O)C[N@H+](C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000662284845 409618419 /nfs/dbraw/zinc/61/84/19/409618419.db2.gz PYTHXUZADDCTLA-MWLCHTKSSA-N 2 2 214.309 -0.180 20 0 BBADLP C[C@H](O)C[N@@H+](C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000662284847 409618651 /nfs/dbraw/zinc/61/86/51/409618651.db2.gz PYTHXUZADDCTLA-ONGXEEELSA-N 2 2 214.309 -0.180 20 0 BBADLP C[C@H](O)C[N@H+](C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000662284847 409618647 /nfs/dbraw/zinc/61/86/47/409618647.db2.gz PYTHXUZADDCTLA-ONGXEEELSA-N 2 2 214.309 -0.180 20 0 BBADLP O[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662285001 412078104 /nfs/dbraw/zinc/07/81/04/412078104.db2.gz TXLURVMPXOUWJH-NXEZZACHSA-N 2 2 200.282 -0.569 20 0 BBADLP O[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662285001 412078100 /nfs/dbraw/zinc/07/81/00/412078100.db2.gz TXLURVMPXOUWJH-NXEZZACHSA-N 2 2 200.282 -0.569 20 0 BBADLP O[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662285002 412077674 /nfs/dbraw/zinc/07/76/74/412077674.db2.gz TXLURVMPXOUWJH-ZJUUUORDSA-N 2 2 200.282 -0.569 20 0 BBADLP O[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662285002 412077670 /nfs/dbraw/zinc/07/76/70/412077670.db2.gz TXLURVMPXOUWJH-ZJUUUORDSA-N 2 2 200.282 -0.569 20 0 BBADLP CC(C)=CCC[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000662285416 409619434 /nfs/dbraw/zinc/61/94/34/409619434.db2.gz AHHCNNRFFIVLBV-LLVKDONJSA-N 2 2 216.325 -0.043 20 0 BBADLP CC(C)=CCC[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000662285416 409619432 /nfs/dbraw/zinc/61/94/32/409619432.db2.gz AHHCNNRFFIVLBV-LLVKDONJSA-N 2 2 216.325 -0.043 20 0 BBADLP CC(C)=CCC[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000662285417 409619020 /nfs/dbraw/zinc/61/90/20/409619020.db2.gz AHHCNNRFFIVLBV-NSHDSACASA-N 2 2 216.325 -0.043 20 0 BBADLP CC(C)=CCC[N@H+](CC[NH3+])C[C@H](O)CO ZINC000662285417 409619017 /nfs/dbraw/zinc/61/90/17/409619017.db2.gz AHHCNNRFFIVLBV-NSHDSACASA-N 2 2 216.325 -0.043 20 0 BBADLP [NH3+]CC[N@@H+](CCC1CCC1)C[C@@H](O)CO ZINC000662285494 412078300 /nfs/dbraw/zinc/07/83/00/412078300.db2.gz BSABOCMYUZUSFC-LLVKDONJSA-N 2 2 216.325 -0.210 20 0 BBADLP [NH3+]CC[N@H+](CCC1CCC1)C[C@@H](O)CO ZINC000662285494 412078298 /nfs/dbraw/zinc/07/82/98/412078298.db2.gz BSABOCMYUZUSFC-LLVKDONJSA-N 2 2 216.325 -0.210 20 0 BBADLP [NH3+]CC[N@@H+](CCC1CCC1)C[C@H](O)CO ZINC000662285496 412076945 /nfs/dbraw/zinc/07/69/45/412076945.db2.gz BSABOCMYUZUSFC-NSHDSACASA-N 2 2 216.325 -0.210 20 0 BBADLP [NH3+]CC[N@H+](CCC1CCC1)C[C@H](O)CO ZINC000662285496 412076941 /nfs/dbraw/zinc/07/69/41/412076941.db2.gz BSABOCMYUZUSFC-NSHDSACASA-N 2 2 216.325 -0.210 20 0 BBADLP CC(C)(C)NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285569 412077192 /nfs/dbraw/zinc/07/71/92/412077192.db2.gz DPOAQBLPWUFPJG-UHFFFAOYSA-N 2 2 243.351 -0.395 20 0 BBADLP [NH3+]CC[N@@H+](CC[C@@H]1CCCCO1)C[C@@H](O)CO ZINC000662285603 412077027 /nfs/dbraw/zinc/07/70/27/412077027.db2.gz GGAVGXKVXPQOIH-NEPJUHHUSA-N 2 2 246.351 -0.441 20 0 BBADLP [NH3+]CC[N@H+](CC[C@@H]1CCCCO1)C[C@@H](O)CO ZINC000662285603 412077022 /nfs/dbraw/zinc/07/70/22/412077022.db2.gz GGAVGXKVXPQOIH-NEPJUHHUSA-N 2 2 246.351 -0.441 20 0 BBADLP [NH3+]CC[N@@H+](CC[C@H]1CCCCO1)C[C@H](O)CO ZINC000662285605 412078496 /nfs/dbraw/zinc/07/84/96/412078496.db2.gz GGAVGXKVXPQOIH-NWDGAFQWSA-N 2 2 246.351 -0.441 20 0 BBADLP [NH3+]CC[N@H+](CC[C@H]1CCCCO1)C[C@H](O)CO ZINC000662285605 412078492 /nfs/dbraw/zinc/07/84/92/412078492.db2.gz GGAVGXKVXPQOIH-NWDGAFQWSA-N 2 2 246.351 -0.441 20 0 BBADLP [NH3+]CC[N@@H+](CC[C@@H]1CCCCO1)C[C@H](O)CO ZINC000662285606 412077984 /nfs/dbraw/zinc/07/79/84/412077984.db2.gz GGAVGXKVXPQOIH-RYUDHWBXSA-N 2 2 246.351 -0.441 20 0 BBADLP [NH3+]CC[N@H+](CC[C@@H]1CCCCO1)C[C@H](O)CO ZINC000662285606 412077981 /nfs/dbraw/zinc/07/79/81/412077981.db2.gz GGAVGXKVXPQOIH-RYUDHWBXSA-N 2 2 246.351 -0.441 20 0 BBADLP [NH3+]CC[N@@H+](CC[C@H]1CCCCO1)C[C@@H](O)CO ZINC000662285608 412078081 /nfs/dbraw/zinc/07/80/81/412078081.db2.gz GGAVGXKVXPQOIH-VXGBXAGGSA-N 2 2 246.351 -0.441 20 0 BBADLP [NH3+]CC[N@H+](CC[C@H]1CCCCO1)C[C@@H](O)CO ZINC000662285608 412078077 /nfs/dbraw/zinc/07/80/77/412078077.db2.gz GGAVGXKVXPQOIH-VXGBXAGGSA-N 2 2 246.351 -0.441 20 0 BBADLP CO[C@@H](C[N@@H+](CC[NH3+])C[C@@H](O)CO)C1CCC1 ZINC000662285742 409619307 /nfs/dbraw/zinc/61/93/07/409619307.db2.gz GSXRYLRGGBHXEU-NEPJUHHUSA-N 2 2 246.351 -0.585 20 0 BBADLP CO[C@@H](C[N@H+](CC[NH3+])C[C@@H](O)CO)C1CCC1 ZINC000662285742 409619304 /nfs/dbraw/zinc/61/93/04/409619304.db2.gz GSXRYLRGGBHXEU-NEPJUHHUSA-N 2 2 246.351 -0.585 20 0 BBADLP CO[C@H](C[N@@H+](CC[NH3+])C[C@H](O)CO)C1CCC1 ZINC000662285744 409619451 /nfs/dbraw/zinc/61/94/51/409619451.db2.gz GSXRYLRGGBHXEU-NWDGAFQWSA-N 2 2 246.351 -0.585 20 0 BBADLP CO[C@H](C[N@H+](CC[NH3+])C[C@H](O)CO)C1CCC1 ZINC000662285744 409619450 /nfs/dbraw/zinc/61/94/50/409619450.db2.gz GSXRYLRGGBHXEU-NWDGAFQWSA-N 2 2 246.351 -0.585 20 0 BBADLP CO[C@@H](C[N@@H+](CC[NH3+])C[C@H](O)CO)C1CCC1 ZINC000662285746 409618785 /nfs/dbraw/zinc/61/87/85/409618785.db2.gz GSXRYLRGGBHXEU-RYUDHWBXSA-N 2 2 246.351 -0.585 20 0 BBADLP CO[C@@H](C[N@H+](CC[NH3+])C[C@H](O)CO)C1CCC1 ZINC000662285746 409618780 /nfs/dbraw/zinc/61/87/80/409618780.db2.gz GSXRYLRGGBHXEU-RYUDHWBXSA-N 2 2 246.351 -0.585 20 0 BBADLP CO[C@H](C[N@@H+](CC[NH3+])C[C@@H](O)CO)C1CCC1 ZINC000662285748 409619607 /nfs/dbraw/zinc/61/96/07/409619607.db2.gz GSXRYLRGGBHXEU-VXGBXAGGSA-N 2 2 246.351 -0.585 20 0 BBADLP CO[C@H](C[N@H+](CC[NH3+])C[C@@H](O)CO)C1CCC1 ZINC000662285748 409619600 /nfs/dbraw/zinc/61/96/00/409619600.db2.gz GSXRYLRGGBHXEU-VXGBXAGGSA-N 2 2 246.351 -0.585 20 0 BBADLP CC(C)CNC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286266 412077295 /nfs/dbraw/zinc/07/72/95/412077295.db2.gz PMJNSFXBHWEGNW-UHFFFAOYSA-N 2 2 243.351 -0.537 20 0 BBADLP C[C@@H]1CC[C@@H](O)C[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662286565 412077961 /nfs/dbraw/zinc/07/79/61/412077961.db2.gz QRMXCHTXIOTTTR-GMTAPVOTSA-N 2 2 214.309 -0.180 20 0 BBADLP C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662286565 412077959 /nfs/dbraw/zinc/07/79/59/412077959.db2.gz QRMXCHTXIOTTTR-GMTAPVOTSA-N 2 2 214.309 -0.180 20 0 BBADLP C[C@@H]1CC[C@@H](O)C[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662286566 412076632 /nfs/dbraw/zinc/07/66/32/412076632.db2.gz QRMXCHTXIOTTTR-MXWKQRLJSA-N 2 2 214.309 -0.180 20 0 BBADLP C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662286566 412076627 /nfs/dbraw/zinc/07/66/27/412076627.db2.gz QRMXCHTXIOTTTR-MXWKQRLJSA-N 2 2 214.309 -0.180 20 0 BBADLP CC[C@H](C)NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286638 412076499 /nfs/dbraw/zinc/07/64/99/412076499.db2.gz UPDWKRQNAADNBJ-JTQLQIEISA-N 2 2 243.351 -0.395 20 0 BBADLP CC[C@@H](C)NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286639 412076919 /nfs/dbraw/zinc/07/69/19/412076919.db2.gz UPDWKRQNAADNBJ-SNVBAGLBSA-N 2 2 243.351 -0.395 20 0 BBADLP [NH3+]CC[N@@H+](C[C@H](O)CO)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662286648 412077184 /nfs/dbraw/zinc/07/71/84/412077184.db2.gz VDCVNFBXBKAUBL-USZNOCQGSA-N 2 2 228.336 -0.354 20 0 BBADLP [NH3+]CC[N@H+](C[C@H](O)CO)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662286648 412077182 /nfs/dbraw/zinc/07/71/82/412077182.db2.gz VDCVNFBXBKAUBL-USZNOCQGSA-N 2 2 228.336 -0.354 20 0 BBADLP [NH3+]CC[N@@H+](C[C@@H](O)CO)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662286650 412077343 /nfs/dbraw/zinc/07/73/43/412077343.db2.gz VDCVNFBXBKAUBL-WRWGMCAJSA-N 2 2 228.336 -0.354 20 0 BBADLP [NH3+]CC[N@H+](C[C@@H](O)CO)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662286650 412077339 /nfs/dbraw/zinc/07/73/39/412077339.db2.gz VDCVNFBXBKAUBL-WRWGMCAJSA-N 2 2 228.336 -0.354 20 0 BBADLP CCCCNC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286699 412078172 /nfs/dbraw/zinc/07/81/72/412078172.db2.gz YBLKRXJTTPXGLS-UHFFFAOYSA-N 2 2 243.351 -0.393 20 0 BBADLP O[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662286913 412077828 /nfs/dbraw/zinc/07/78/28/412077828.db2.gz TXLURVMPXOUWJH-UWVGGRQHSA-N 2 2 200.282 -0.569 20 0 BBADLP O[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662286913 412077824 /nfs/dbraw/zinc/07/78/24/412077824.db2.gz TXLURVMPXOUWJH-UWVGGRQHSA-N 2 2 200.282 -0.569 20 0 BBADLP O[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662286914 412076351 /nfs/dbraw/zinc/07/63/51/412076351.db2.gz TXLURVMPXOUWJH-VHSXEESVSA-N 2 2 200.282 -0.569 20 0 BBADLP O[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662286914 412076347 /nfs/dbraw/zinc/07/63/47/412076347.db2.gz TXLURVMPXOUWJH-VHSXEESVSA-N 2 2 200.282 -0.569 20 0 BBADLP CCN(CC)C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662287038 412077595 /nfs/dbraw/zinc/07/75/95/412077595.db2.gz QNJGFOHVRADPNQ-UHFFFAOYSA-N 2 2 243.351 -0.441 20 0 BBADLP CC[C@@H](C)C[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000662287505 412080496 /nfs/dbraw/zinc/08/04/96/412080496.db2.gz BIUGEWQPNACAFG-NXEZZACHSA-N 2 2 204.314 -0.354 20 0 BBADLP CC[C@@H](C)C[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000662287505 412080490 /nfs/dbraw/zinc/08/04/90/412080490.db2.gz BIUGEWQPNACAFG-NXEZZACHSA-N 2 2 204.314 -0.354 20 0 BBADLP CC[C@H](C)C[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000662287506 412080381 /nfs/dbraw/zinc/08/03/81/412080381.db2.gz BIUGEWQPNACAFG-UWVGGRQHSA-N 2 2 204.314 -0.354 20 0 BBADLP CC[C@H](C)C[N@H+](CC[NH3+])C[C@H](O)CO ZINC000662287506 412080378 /nfs/dbraw/zinc/08/03/78/412080378.db2.gz BIUGEWQPNACAFG-UWVGGRQHSA-N 2 2 204.314 -0.354 20 0 BBADLP CC[C@H](C)C[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000662287507 412080048 /nfs/dbraw/zinc/08/00/48/412080048.db2.gz BIUGEWQPNACAFG-VHSXEESVSA-N 2 2 204.314 -0.354 20 0 BBADLP CC[C@H](C)C[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000662287507 412080044 /nfs/dbraw/zinc/08/00/44/412080044.db2.gz BIUGEWQPNACAFG-VHSXEESVSA-N 2 2 204.314 -0.354 20 0 BBADLP CC[C@@H](C)C[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000662287508 412079273 /nfs/dbraw/zinc/07/92/73/412079273.db2.gz BIUGEWQPNACAFG-ZJUUUORDSA-N 2 2 204.314 -0.354 20 0 BBADLP CC[C@@H](C)C[N@H+](CC[NH3+])C[C@H](O)CO ZINC000662287508 412079270 /nfs/dbraw/zinc/07/92/70/412079270.db2.gz BIUGEWQPNACAFG-ZJUUUORDSA-N 2 2 204.314 -0.354 20 0 BBADLP [NH3+]CC[N@@H+](CCc1cccnc1)C[C@@H](O)CO ZINC000662287525 412079864 /nfs/dbraw/zinc/07/98/64/412079864.db2.gz BWSKRBRZXFTITQ-GFCCVEGCSA-N 2 2 239.319 -0.762 20 0 BBADLP [NH3+]CC[N@H+](CCc1cccnc1)C[C@@H](O)CO ZINC000662287525 412079862 /nfs/dbraw/zinc/07/98/62/412079862.db2.gz BWSKRBRZXFTITQ-GFCCVEGCSA-N 2 2 239.319 -0.762 20 0 BBADLP [NH3+]CC[N@@H+](CCc1cccnc1)C[C@H](O)CO ZINC000662287526 412079285 /nfs/dbraw/zinc/07/92/85/412079285.db2.gz BWSKRBRZXFTITQ-LBPRGKRZSA-N 2 2 239.319 -0.762 20 0 BBADLP [NH3+]CC[N@H+](CCc1cccnc1)C[C@H](O)CO ZINC000662287526 412079282 /nfs/dbraw/zinc/07/92/82/412079282.db2.gz BWSKRBRZXFTITQ-LBPRGKRZSA-N 2 2 239.319 -0.762 20 0 BBADLP [NH3+]CC[N@@H+](C[C@@H](O)CO)CC1CCCC1 ZINC000662287551 412079520 /nfs/dbraw/zinc/07/95/20/412079520.db2.gz CKKFDTRNWWMYLQ-LLVKDONJSA-N 2 2 216.325 -0.210 20 0 BBADLP [NH3+]CC[N@H+](C[C@@H](O)CO)CC1CCCC1 ZINC000662287551 412079519 /nfs/dbraw/zinc/07/95/19/412079519.db2.gz CKKFDTRNWWMYLQ-LLVKDONJSA-N 2 2 216.325 -0.210 20 0 BBADLP [NH3+]CC[N@@H+](C[C@H](O)CO)CC1CCCC1 ZINC000662287552 412079722 /nfs/dbraw/zinc/07/97/22/412079722.db2.gz CKKFDTRNWWMYLQ-NSHDSACASA-N 2 2 216.325 -0.210 20 0 BBADLP [NH3+]CC[N@H+](C[C@H](O)CO)CC1CCCC1 ZINC000662287552 412079719 /nfs/dbraw/zinc/07/97/19/412079719.db2.gz CKKFDTRNWWMYLQ-NSHDSACASA-N 2 2 216.325 -0.210 20 0 BBADLP [NH3+]CC[N@@H+](C[C@@H](O)CO)CC1CCOCC1 ZINC000662287635 412079106 /nfs/dbraw/zinc/07/91/06/412079106.db2.gz FTJJBAJPOHRJJL-LLVKDONJSA-N 2 2 232.324 -0.973 20 0 BBADLP [NH3+]CC[N@H+](C[C@@H](O)CO)CC1CCOCC1 ZINC000662287635 412079102 /nfs/dbraw/zinc/07/91/02/412079102.db2.gz FTJJBAJPOHRJJL-LLVKDONJSA-N 2 2 232.324 -0.973 20 0 BBADLP [NH3+]CC[N@@H+](C[C@H](O)CO)CC1CCOCC1 ZINC000662287636 412079653 /nfs/dbraw/zinc/07/96/53/412079653.db2.gz FTJJBAJPOHRJJL-NSHDSACASA-N 2 2 232.324 -0.973 20 0 BBADLP [NH3+]CC[N@H+](C[C@H](O)CO)CC1CCOCC1 ZINC000662287636 412079648 /nfs/dbraw/zinc/07/96/48/412079648.db2.gz FTJJBAJPOHRJJL-NSHDSACASA-N 2 2 232.324 -0.973 20 0 BBADLP [NH3+]CC[N@@H+](CCCCCF)C[C@H](O)CO ZINC000662287699 412079154 /nfs/dbraw/zinc/07/91/54/412079154.db2.gz HAOUZJZHGCAFLE-JTQLQIEISA-N 2 2 222.304 -0.260 20 0 BBADLP [NH3+]CC[N@H+](CCCCCF)C[C@H](O)CO ZINC000662287699 412079152 /nfs/dbraw/zinc/07/91/52/412079152.db2.gz HAOUZJZHGCAFLE-JTQLQIEISA-N 2 2 222.304 -0.260 20 0 BBADLP [NH3+]CC[N@@H+](CCCCCF)C[C@@H](O)CO ZINC000662287700 412080344 /nfs/dbraw/zinc/08/03/44/412080344.db2.gz HAOUZJZHGCAFLE-SNVBAGLBSA-N 2 2 222.304 -0.260 20 0 BBADLP [NH3+]CC[N@H+](CCCCCF)C[C@@H](O)CO ZINC000662287700 412080341 /nfs/dbraw/zinc/08/03/41/412080341.db2.gz HAOUZJZHGCAFLE-SNVBAGLBSA-N 2 2 222.304 -0.260 20 0 BBADLP [NH3+]CC[N@@H+](CC[C@H]1CCCO1)C[C@@H](O)CO ZINC000662287747 412079972 /nfs/dbraw/zinc/07/99/72/412079972.db2.gz HYXOAPNVCMMWHM-GHMZBOCLSA-N 2 2 232.324 -0.831 20 0 BBADLP [NH3+]CC[N@H+](CC[C@H]1CCCO1)C[C@@H](O)CO ZINC000662287747 412079969 /nfs/dbraw/zinc/07/99/69/412079969.db2.gz HYXOAPNVCMMWHM-GHMZBOCLSA-N 2 2 232.324 -0.831 20 0 BBADLP [NH3+]CC[N@@H+](CC[C@@H]1CCCO1)C[C@@H](O)CO ZINC000662287748 412079320 /nfs/dbraw/zinc/07/93/20/412079320.db2.gz HYXOAPNVCMMWHM-MNOVXSKESA-N 2 2 232.324 -0.831 20 0 BBADLP [NH3+]CC[N@H+](CC[C@@H]1CCCO1)C[C@@H](O)CO ZINC000662287748 412079315 /nfs/dbraw/zinc/07/93/15/412079315.db2.gz HYXOAPNVCMMWHM-MNOVXSKESA-N 2 2 232.324 -0.831 20 0 BBADLP [NH3+]CC[N@@H+](CC[C@@H]1CCCO1)C[C@H](O)CO ZINC000662287749 412078958 /nfs/dbraw/zinc/07/89/58/412078958.db2.gz HYXOAPNVCMMWHM-QWRGUYRKSA-N 2 2 232.324 -0.831 20 0 BBADLP [NH3+]CC[N@H+](CC[C@@H]1CCCO1)C[C@H](O)CO ZINC000662287749 412078955 /nfs/dbraw/zinc/07/89/55/412078955.db2.gz HYXOAPNVCMMWHM-QWRGUYRKSA-N 2 2 232.324 -0.831 20 0 BBADLP [NH3+]CC[N@@H+](CC[C@H]1CCCO1)C[C@H](O)CO ZINC000662287750 412080169 /nfs/dbraw/zinc/08/01/69/412080169.db2.gz HYXOAPNVCMMWHM-WDEREUQCSA-N 2 2 232.324 -0.831 20 0 BBADLP [NH3+]CC[N@H+](CC[C@H]1CCCO1)C[C@H](O)CO ZINC000662287750 412080167 /nfs/dbraw/zinc/08/01/67/412080167.db2.gz HYXOAPNVCMMWHM-WDEREUQCSA-N 2 2 232.324 -0.831 20 0 BBADLP CC(C)OCCC[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000662287893 412079766 /nfs/dbraw/zinc/07/97/66/412079766.db2.gz BZYQVWDJCJCJAA-LLVKDONJSA-N 2 2 234.340 -0.585 20 0 BBADLP CC(C)OCCC[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000662287893 412079763 /nfs/dbraw/zinc/07/97/63/412079763.db2.gz BZYQVWDJCJCJAA-LLVKDONJSA-N 2 2 234.340 -0.585 20 0 BBADLP CC(C)OCCC[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000662287894 412079853 /nfs/dbraw/zinc/07/98/53/412079853.db2.gz BZYQVWDJCJCJAA-NSHDSACASA-N 2 2 234.340 -0.585 20 0 BBADLP CC(C)OCCC[N@H+](CC[NH3+])C[C@H](O)CO ZINC000662287894 412079848 /nfs/dbraw/zinc/07/98/48/412079848.db2.gz BZYQVWDJCJCJAA-NSHDSACASA-N 2 2 234.340 -0.585 20 0 BBADLP CCOCCC[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000662288168 412079535 /nfs/dbraw/zinc/07/95/35/412079535.db2.gz DVUGHQJYPUDUJB-JTQLQIEISA-N 2 2 220.313 -0.973 20 0 BBADLP CCOCCC[N@H+](CC[NH3+])C[C@H](O)CO ZINC000662288168 412079532 /nfs/dbraw/zinc/07/95/32/412079532.db2.gz DVUGHQJYPUDUJB-JTQLQIEISA-N 2 2 220.313 -0.973 20 0 BBADLP CCOCCC[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000662288169 412079904 /nfs/dbraw/zinc/07/99/04/412079904.db2.gz DVUGHQJYPUDUJB-SNVBAGLBSA-N 2 2 220.313 -0.973 20 0 BBADLP CCOCCC[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000662288169 412079903 /nfs/dbraw/zinc/07/99/03/412079903.db2.gz DVUGHQJYPUDUJB-SNVBAGLBSA-N 2 2 220.313 -0.973 20 0 BBADLP COCCCC[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000662288226 412080154 /nfs/dbraw/zinc/08/01/54/412080154.db2.gz GKHFNXOPYDMTGC-JTQLQIEISA-N 2 2 220.313 -0.973 20 0 BBADLP COCCCC[N@H+](CC[NH3+])C[C@H](O)CO ZINC000662288226 412080153 /nfs/dbraw/zinc/08/01/53/412080153.db2.gz GKHFNXOPYDMTGC-JTQLQIEISA-N 2 2 220.313 -0.973 20 0 BBADLP COCCCC[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000662288227 412079339 /nfs/dbraw/zinc/07/93/39/412079339.db2.gz GKHFNXOPYDMTGC-SNVBAGLBSA-N 2 2 220.313 -0.973 20 0 BBADLP COCCCC[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000662288227 412079336 /nfs/dbraw/zinc/07/93/36/412079336.db2.gz GKHFNXOPYDMTGC-SNVBAGLBSA-N 2 2 220.313 -0.973 20 0 BBADLP [NH3+]CC[N@@H+](CCc1ccccc1)C[C@@H](O)CO ZINC000662288304 412080192 /nfs/dbraw/zinc/08/01/92/412080192.db2.gz OESPLKCMCFBOCR-CYBMUJFWSA-N 2 2 238.331 -0.157 20 0 BBADLP [NH3+]CC[N@H+](CCc1ccccc1)C[C@@H](O)CO ZINC000662288304 412080191 /nfs/dbraw/zinc/08/01/91/412080191.db2.gz OESPLKCMCFBOCR-CYBMUJFWSA-N 2 2 238.331 -0.157 20 0 BBADLP [NH3+]CC[N@@H+](CCc1ccccc1)C[C@H](O)CO ZINC000662288305 412080544 /nfs/dbraw/zinc/08/05/44/412080544.db2.gz OESPLKCMCFBOCR-ZDUSSCGKSA-N 2 2 238.331 -0.157 20 0 BBADLP [NH3+]CC[N@H+](CCc1ccccc1)C[C@H](O)CO ZINC000662288305 412080539 /nfs/dbraw/zinc/08/05/39/412080539.db2.gz OESPLKCMCFBOCR-ZDUSSCGKSA-N 2 2 238.331 -0.157 20 0 BBADLP [NH3+]CC[N@@H+](C[C@H](O)CO)CC1CCC1 ZINC000662288577 412079464 /nfs/dbraw/zinc/07/94/64/412079464.db2.gz QPYGNYJATZAQMH-JTQLQIEISA-N 2 2 202.298 -0.600 20 0 BBADLP [NH3+]CC[N@H+](C[C@H](O)CO)CC1CCC1 ZINC000662288577 412079462 /nfs/dbraw/zinc/07/94/62/412079462.db2.gz QPYGNYJATZAQMH-JTQLQIEISA-N 2 2 202.298 -0.600 20 0 BBADLP [NH3+]CC[N@@H+](C[C@@H](O)CO)CC1CCC1 ZINC000662288578 412080123 /nfs/dbraw/zinc/08/01/23/412080123.db2.gz QPYGNYJATZAQMH-SNVBAGLBSA-N 2 2 202.298 -0.600 20 0 BBADLP [NH3+]CC[N@H+](C[C@@H](O)CO)CC1CCC1 ZINC000662288578 412080121 /nfs/dbraw/zinc/08/01/21/412080121.db2.gz QPYGNYJATZAQMH-SNVBAGLBSA-N 2 2 202.298 -0.600 20 0 BBADLP CCCCC[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000662289002 412079582 /nfs/dbraw/zinc/07/95/82/412079582.db2.gz OMKPUGYVFAOIRI-JTQLQIEISA-N 2 2 204.314 -0.210 20 0 BBADLP CCCCC[N@H+](CC[NH3+])C[C@H](O)CO ZINC000662289002 412079576 /nfs/dbraw/zinc/07/95/76/412079576.db2.gz OMKPUGYVFAOIRI-JTQLQIEISA-N 2 2 204.314 -0.210 20 0 BBADLP CCCCC[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000662289003 412079422 /nfs/dbraw/zinc/07/94/22/412079422.db2.gz OMKPUGYVFAOIRI-SNVBAGLBSA-N 2 2 204.314 -0.210 20 0 BBADLP CCCCC[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000662289003 412079419 /nfs/dbraw/zinc/07/94/19/412079419.db2.gz OMKPUGYVFAOIRI-SNVBAGLBSA-N 2 2 204.314 -0.210 20 0 BBADLP Nc1cccc(C[N@@H+](CC[NH3+])C[C@@H](O)CO)c1 ZINC000662289194 412079737 /nfs/dbraw/zinc/07/97/37/412079737.db2.gz XPFGZIGNXXFBIW-GFCCVEGCSA-N 2 2 239.319 -0.617 20 0 BBADLP Nc1cccc(C[N@H+](CC[NH3+])C[C@@H](O)CO)c1 ZINC000662289194 412079732 /nfs/dbraw/zinc/07/97/32/412079732.db2.gz XPFGZIGNXXFBIW-GFCCVEGCSA-N 2 2 239.319 -0.617 20 0 BBADLP Nc1cccc(C[N@@H+](CC[NH3+])C[C@H](O)CO)c1 ZINC000662289195 412080424 /nfs/dbraw/zinc/08/04/24/412080424.db2.gz XPFGZIGNXXFBIW-LBPRGKRZSA-N 2 2 239.319 -0.617 20 0 BBADLP Nc1cccc(C[N@H+](CC[NH3+])C[C@H](O)CO)c1 ZINC000662289195 412080422 /nfs/dbraw/zinc/08/04/22/412080422.db2.gz XPFGZIGNXXFBIW-LBPRGKRZSA-N 2 2 239.319 -0.617 20 0 BBADLP CC(C)CC[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000662289959 412079067 /nfs/dbraw/zinc/07/90/67/412079067.db2.gz BAAHDWIKWXCMLV-JTQLQIEISA-N 2 2 204.314 -0.354 20 0 BBADLP CC(C)CC[N@H+](CC[NH3+])C[C@H](O)CO ZINC000662289959 412079064 /nfs/dbraw/zinc/07/90/64/412079064.db2.gz BAAHDWIKWXCMLV-JTQLQIEISA-N 2 2 204.314 -0.354 20 0 BBADLP CC(C)CC[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000662289960 412080010 /nfs/dbraw/zinc/08/00/10/412080010.db2.gz BAAHDWIKWXCMLV-SNVBAGLBSA-N 2 2 204.314 -0.354 20 0 BBADLP CC(C)CC[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000662289960 412080008 /nfs/dbraw/zinc/08/00/08/412080008.db2.gz BAAHDWIKWXCMLV-SNVBAGLBSA-N 2 2 204.314 -0.354 20 0 BBADLP C[N@@H+](CCN1C(=O)CNC1=O)CC(C)(C)[NH3+] ZINC000662292343 412081868 /nfs/dbraw/zinc/08/18/68/412081868.db2.gz GBKFRKQKZBVFOS-UHFFFAOYSA-N 2 2 228.296 -0.793 20 0 BBADLP C[N@H+](CCN1C(=O)CNC1=O)CC(C)(C)[NH3+] ZINC000662292343 412081865 /nfs/dbraw/zinc/08/18/65/412081865.db2.gz GBKFRKQKZBVFOS-UHFFFAOYSA-N 2 2 228.296 -0.793 20 0 BBADLP C[N@@H+](CCN1C(=O)CCC1=O)CC(C)(C)[NH3+] ZINC000662293577 491087662 /nfs/dbraw/zinc/08/76/62/491087662.db2.gz URFNGPHSLUHMBQ-UHFFFAOYSA-N 2 2 227.308 -0.196 20 0 BBADLP C[N@H+](CCN1C(=O)CCC1=O)CC(C)(C)[NH3+] ZINC000662293577 491087661 /nfs/dbraw/zinc/08/76/61/491087661.db2.gz URFNGPHSLUHMBQ-UHFFFAOYSA-N 2 2 227.308 -0.196 20 0 BBADLP CNS(=O)(=O)CCC[N@@H+](C)CC(C)(C)[NH3+] ZINC000662294013 412081372 /nfs/dbraw/zinc/08/13/72/412081372.db2.gz ZMZYIOZVBSIYJT-UHFFFAOYSA-N 2 2 237.369 -0.405 20 0 BBADLP CNS(=O)(=O)CCC[N@H+](C)CC(C)(C)[NH3+] ZINC000662294013 412081370 /nfs/dbraw/zinc/08/13/70/412081370.db2.gz ZMZYIOZVBSIYJT-UHFFFAOYSA-N 2 2 237.369 -0.405 20 0 BBADLP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC(C)(C)[NH3+] ZINC000662295300 412085225 /nfs/dbraw/zinc/08/52/25/412085225.db2.gz PKELIVVUIAITIY-UHFFFAOYSA-N 3 2 242.367 -0.523 20 0 BBADLP C[N@H+](CCC(=O)N1CC[NH2+]CC1)CC(C)(C)[NH3+] ZINC000662295300 412085222 /nfs/dbraw/zinc/08/52/22/412085222.db2.gz PKELIVVUIAITIY-UHFFFAOYSA-N 3 2 242.367 -0.523 20 0 BBADLP [NH3+]CC12CC(C1)CN2CC[NH+]1CCOCC1 ZINC000662303832 412088935 /nfs/dbraw/zinc/08/89/35/412088935.db2.gz HYLXWSCLSTYUCD-UHFFFAOYSA-N 2 2 225.336 -0.258 20 0 BBADLP [NH3+]CC12CC(C1)C[N@H+]2CCn1cncn1 ZINC000662304626 412088178 /nfs/dbraw/zinc/08/81/78/412088178.db2.gz SBPRMXWSHJVFLM-UHFFFAOYSA-N 2 2 207.281 -0.299 20 0 BBADLP [NH3+]CC12CC(C1)C[N@@H+]2CCn1cncn1 ZINC000662304626 412088176 /nfs/dbraw/zinc/08/81/76/412088176.db2.gz SBPRMXWSHJVFLM-UHFFFAOYSA-N 2 2 207.281 -0.299 20 0 BBADLP [NH3+]CC12CC(C1)C[N@H+]2CCN1CC[NH2+]CC1 ZINC000662304677 412089660 /nfs/dbraw/zinc/08/96/60/412089660.db2.gz UKSQGDWBKZKVLA-UHFFFAOYSA-N 3 2 224.352 -0.685 20 0 BBADLP [NH3+]CC12CC(C1)C[N@@H+]2CCN1CC[NH2+]CC1 ZINC000662304677 412089657 /nfs/dbraw/zinc/08/96/57/412089657.db2.gz UKSQGDWBKZKVLA-UHFFFAOYSA-N 3 2 224.352 -0.685 20 0 BBADLP CNS(=O)(=O)CCC[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662304697 412089411 /nfs/dbraw/zinc/08/94/11/412089411.db2.gz VFIFUCPWCFTPMK-UHFFFAOYSA-N 2 2 247.364 -0.651 20 0 BBADLP CNS(=O)(=O)CCC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662304697 412089407 /nfs/dbraw/zinc/08/94/07/412089407.db2.gz VFIFUCPWCFTPMK-UHFFFAOYSA-N 2 2 247.364 -0.651 20 0 BBADLP [NH3+]CC12CC(C1)C[N@H+]2C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662304868 412090268 /nfs/dbraw/zinc/09/02/68/412090268.db2.gz CPJGJJHIHHAQEZ-CXQJBGSLSA-N 3 2 237.347 -0.070 20 0 BBADLP [NH3+]CC12CC(C1)C[N@@H+]2C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662304868 412090263 /nfs/dbraw/zinc/09/02/63/412090263.db2.gz CPJGJJHIHHAQEZ-CXQJBGSLSA-N 3 2 237.347 -0.070 20 0 BBADLP [NH3+]CC12CC(C1)C[N@H+]2C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662304872 412090413 /nfs/dbraw/zinc/09/04/13/412090413.db2.gz CPJGJJHIHHAQEZ-MOENNCHZSA-N 3 2 237.347 -0.070 20 0 BBADLP [NH3+]CC12CC(C1)C[N@@H+]2C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662304872 412090410 /nfs/dbraw/zinc/09/04/10/412090410.db2.gz CPJGJJHIHHAQEZ-MOENNCHZSA-N 3 2 237.347 -0.070 20 0 BBADLP CN1CC[C@@H]([N@H+]2CC3CC2(C[NH3+])C3)C1=O ZINC000662305567 412090963 /nfs/dbraw/zinc/09/09/63/412090963.db2.gz JRAQQUMCKPYLFC-INWMGODYSA-N 2 2 209.293 -0.360 20 0 BBADLP CN1CC[C@@H]([N@@H+]2CC3CC2(C[NH3+])C3)C1=O ZINC000662305567 412090959 /nfs/dbraw/zinc/09/09/59/412090959.db2.gz JRAQQUMCKPYLFC-INWMGODYSA-N 2 2 209.293 -0.360 20 0 BBADLP CN1CC[C@H]([N@H+]2CC3CC2(C[NH3+])C3)C1=O ZINC000662305568 412090284 /nfs/dbraw/zinc/09/02/84/412090284.db2.gz JRAQQUMCKPYLFC-YUCVTWSNSA-N 2 2 209.293 -0.360 20 0 BBADLP CN1CC[C@H]([N@@H+]2CC3CC2(C[NH3+])C3)C1=O ZINC000662305568 412090280 /nfs/dbraw/zinc/09/02/80/412090280.db2.gz JRAQQUMCKPYLFC-YUCVTWSNSA-N 2 2 209.293 -0.360 20 0 BBADLP C[N@@H+](C[C@H]1C[NH2+]CCO1)C[C@@H]1COCCO1 ZINC000662306245 412091215 /nfs/dbraw/zinc/09/12/15/412091215.db2.gz PMJQIOCKTRZUOV-GHMZBOCLSA-N 2 2 230.308 -0.678 20 0 BBADLP C[N@H+](C[C@H]1C[NH2+]CCO1)C[C@@H]1COCCO1 ZINC000662306245 412091211 /nfs/dbraw/zinc/09/12/11/412091211.db2.gz PMJQIOCKTRZUOV-GHMZBOCLSA-N 2 2 230.308 -0.678 20 0 BBADLP C[N@@H+](C[C@H]1C[NH2+]CCO1)C[C@H]1COCCO1 ZINC000662306247 412091796 /nfs/dbraw/zinc/09/17/96/412091796.db2.gz PMJQIOCKTRZUOV-MNOVXSKESA-N 2 2 230.308 -0.678 20 0 BBADLP C[N@H+](C[C@H]1C[NH2+]CCO1)C[C@H]1COCCO1 ZINC000662306247 412091792 /nfs/dbraw/zinc/09/17/92/412091792.db2.gz PMJQIOCKTRZUOV-MNOVXSKESA-N 2 2 230.308 -0.678 20 0 BBADLP C[N@@H+](C[C@@H]1C[NH2+]CCO1)C[C@H]1COCCO1 ZINC000662306248 412091406 /nfs/dbraw/zinc/09/14/06/412091406.db2.gz PMJQIOCKTRZUOV-QWRGUYRKSA-N 2 2 230.308 -0.678 20 0 BBADLP C[N@H+](C[C@@H]1C[NH2+]CCO1)C[C@H]1COCCO1 ZINC000662306248 412091404 /nfs/dbraw/zinc/09/14/04/412091404.db2.gz PMJQIOCKTRZUOV-QWRGUYRKSA-N 2 2 230.308 -0.678 20 0 BBADLP C[N@H+](C[C@@H]1COCCO1)C[C@@H]1C[NH2+]CCO1 ZINC000662306250 412090181 /nfs/dbraw/zinc/09/01/81/412090181.db2.gz PMJQIOCKTRZUOV-WDEREUQCSA-N 2 2 230.308 -0.678 20 0 BBADLP C[N@@H+](C[C@@H]1COCCO1)C[C@@H]1C[NH2+]CCO1 ZINC000662306250 412090179 /nfs/dbraw/zinc/09/01/79/412090179.db2.gz PMJQIOCKTRZUOV-WDEREUQCSA-N 2 2 230.308 -0.678 20 0 BBADLP C[C@H](C(=O)N(C)C)[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662306265 412090978 /nfs/dbraw/zinc/09/09/78/412090978.db2.gz PUEOIQCFIGEPOZ-FKTRJACZSA-N 2 2 211.309 -0.114 20 0 BBADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662306265 412090974 /nfs/dbraw/zinc/09/09/74/412090974.db2.gz PUEOIQCFIGEPOZ-FKTRJACZSA-N 2 2 211.309 -0.114 20 0 BBADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662306266 412091910 /nfs/dbraw/zinc/09/19/10/412091910.db2.gz PUEOIQCFIGEPOZ-SILCLGDVSA-N 2 2 211.309 -0.114 20 0 BBADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662306266 412091909 /nfs/dbraw/zinc/09/19/09/412091909.db2.gz PUEOIQCFIGEPOZ-SILCLGDVSA-N 2 2 211.309 -0.114 20 0 BBADLP [NH3+]CC12CC(C1)C[N@H+]2CCN1C(=O)CCC1=O ZINC000662307847 412092783 /nfs/dbraw/zinc/09/27/83/412092783.db2.gz ROODHDDEDZRJDV-UHFFFAOYSA-N 2 2 237.303 -0.442 20 0 BBADLP [NH3+]CC12CC(C1)C[N@@H+]2CCN1C(=O)CCC1=O ZINC000662307847 412092780 /nfs/dbraw/zinc/09/27/80/412092780.db2.gz ROODHDDEDZRJDV-UHFFFAOYSA-N 2 2 237.303 -0.442 20 0 BBADLP C[C@]12COC[C@@H]1C[N@@H+](C[C@@H]1C[NH2+]CCO1)C2 ZINC000662309606 412092509 /nfs/dbraw/zinc/09/25/09/412092509.db2.gz AZYSKQAPSOYPPC-SRVKXCTJSA-N 2 2 226.320 -0.057 20 0 BBADLP C[C@]12COC[C@@H]1C[N@H+](C[C@@H]1C[NH2+]CCO1)C2 ZINC000662309606 412092505 /nfs/dbraw/zinc/09/25/05/412092505.db2.gz AZYSKQAPSOYPPC-SRVKXCTJSA-N 2 2 226.320 -0.057 20 0 BBADLP C[C@]12COC[C@@H]1C[N@@H+](C[C@H]1C[NH2+]CCO1)C2 ZINC000662309608 412092908 /nfs/dbraw/zinc/09/29/08/412092908.db2.gz AZYSKQAPSOYPPC-TUAOUCFPSA-N 2 2 226.320 -0.057 20 0 BBADLP C[C@]12COC[C@@H]1C[N@H+](C[C@H]1C[NH2+]CCO1)C2 ZINC000662309608 412092905 /nfs/dbraw/zinc/09/29/05/412092905.db2.gz AZYSKQAPSOYPPC-TUAOUCFPSA-N 2 2 226.320 -0.057 20 0 BBADLP C[C@]12COC[C@H]1C[N@@H+](C[C@H]1C[NH2+]CCO1)C2 ZINC000662309609 412093108 /nfs/dbraw/zinc/09/31/08/412093108.db2.gz AZYSKQAPSOYPPC-UTUOFQBUSA-N 2 2 226.320 -0.057 20 0 BBADLP C[C@]12COC[C@H]1C[N@H+](C[C@H]1C[NH2+]CCO1)C2 ZINC000662309609 412093107 /nfs/dbraw/zinc/09/31/07/412093107.db2.gz AZYSKQAPSOYPPC-UTUOFQBUSA-N 2 2 226.320 -0.057 20 0 BBADLP C[C@]12COC[C@H]1C[N@@H+](C[C@@H]1C[NH2+]CCO1)C2 ZINC000662309610 412094905 /nfs/dbraw/zinc/09/49/05/412094905.db2.gz AZYSKQAPSOYPPC-WOPDTQHZSA-N 2 2 226.320 -0.057 20 0 BBADLP C[C@]12COC[C@H]1C[N@H+](C[C@@H]1C[NH2+]CCO1)C2 ZINC000662309610 412094901 /nfs/dbraw/zinc/09/49/01/412094901.db2.gz AZYSKQAPSOYPPC-WOPDTQHZSA-N 2 2 226.320 -0.057 20 0 BBADLP C[C@@H]1CC[N@@H+](CCN2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000662314333 412096121 /nfs/dbraw/zinc/09/61/21/412096121.db2.gz FFWMTIYFZGZBAX-OLZOCXBDSA-N 3 2 240.395 -0.049 20 0 BBADLP C[C@@H]1CC[N@H+](CCN2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000662314333 412096117 /nfs/dbraw/zinc/09/61/17/412096117.db2.gz FFWMTIYFZGZBAX-OLZOCXBDSA-N 3 2 240.395 -0.049 20 0 BBADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662315102 412096534 /nfs/dbraw/zinc/09/65/34/412096534.db2.gz CIBSEZCMASFNAZ-SRVKXCTJSA-N 2 2 226.320 -0.057 20 0 BBADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662315102 412096531 /nfs/dbraw/zinc/09/65/31/412096531.db2.gz CIBSEZCMASFNAZ-SRVKXCTJSA-N 2 2 226.320 -0.057 20 0 BBADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662315109 412095706 /nfs/dbraw/zinc/09/57/06/412095706.db2.gz CIBSEZCMASFNAZ-TUAOUCFPSA-N 2 2 226.320 -0.057 20 0 BBADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662315109 412095702 /nfs/dbraw/zinc/09/57/02/412095702.db2.gz CIBSEZCMASFNAZ-TUAOUCFPSA-N 2 2 226.320 -0.057 20 0 BBADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662315112 412096549 /nfs/dbraw/zinc/09/65/49/412096549.db2.gz CIBSEZCMASFNAZ-UTUOFQBUSA-N 2 2 226.320 -0.057 20 0 BBADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662315112 412096546 /nfs/dbraw/zinc/09/65/46/412096546.db2.gz CIBSEZCMASFNAZ-UTUOFQBUSA-N 2 2 226.320 -0.057 20 0 BBADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662315116 412096233 /nfs/dbraw/zinc/09/62/33/412096233.db2.gz CIBSEZCMASFNAZ-WOPDTQHZSA-N 2 2 226.320 -0.057 20 0 BBADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662315116 412096229 /nfs/dbraw/zinc/09/62/29/412096229.db2.gz CIBSEZCMASFNAZ-WOPDTQHZSA-N 2 2 226.320 -0.057 20 0 BBADLP [NH3+]CCN(CC[NH+]1CCOCC1)CC1CC1 ZINC000662315375 412095324 /nfs/dbraw/zinc/09/53/24/412095324.db2.gz NCKIMWAHSUNKLA-UHFFFAOYSA-N 2 2 227.352 -0.011 20 0 BBADLP [NH3+]CC[N@@H+](CCN1CCOCC1)CC1CC1 ZINC000662315375 412095321 /nfs/dbraw/zinc/09/53/21/412095321.db2.gz NCKIMWAHSUNKLA-UHFFFAOYSA-N 2 2 227.352 -0.011 20 0 BBADLP [NH3+]CC[N@H+](CCN1CCOCC1)CC1CC1 ZINC000662315375 412095316 /nfs/dbraw/zinc/09/53/16/412095316.db2.gz NCKIMWAHSUNKLA-UHFFFAOYSA-N 2 2 227.352 -0.011 20 0 BBADLP [NH3+]CCOCC[N@H+]1CCc2nccnc2C1 ZINC000662315434 412095889 /nfs/dbraw/zinc/09/58/89/412095889.db2.gz FQBGLJUJSBGEPJ-UHFFFAOYSA-N 2 2 222.292 -0.190 20 0 BBADLP [NH3+]CCOCC[N@@H+]1CCc2nccnc2C1 ZINC000662315434 412095887 /nfs/dbraw/zinc/09/58/87/412095887.db2.gz FQBGLJUJSBGEPJ-UHFFFAOYSA-N 2 2 222.292 -0.190 20 0 BBADLP [NH3+]CC[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000662317092 412097490 /nfs/dbraw/zinc/09/74/90/412097490.db2.gz MRDOCWHEEKPICU-JTQLQIEISA-N 2 2 211.309 -0.111 20 0 BBADLP [NH3+]CC[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000662317092 412097485 /nfs/dbraw/zinc/09/74/85/412097485.db2.gz MRDOCWHEEKPICU-JTQLQIEISA-N 2 2 211.309 -0.111 20 0 BBADLP [NH3+]CC[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000662317094 412099335 /nfs/dbraw/zinc/09/93/35/412099335.db2.gz MRDOCWHEEKPICU-SNVBAGLBSA-N 2 2 211.309 -0.111 20 0 BBADLP [NH3+]CC[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000662317094 412099330 /nfs/dbraw/zinc/09/93/30/412099330.db2.gz MRDOCWHEEKPICU-SNVBAGLBSA-N 2 2 211.309 -0.111 20 0 BBADLP c1cnc2c(n1)CC[N@H+](CCN1CC[NH2+]CC1)C2 ZINC000662317813 409636294 /nfs/dbraw/zinc/63/62/94/409636294.db2.gz SVTOFSSQNUHNAI-UHFFFAOYSA-N 2 2 247.346 -0.260 20 0 BBADLP c1cnc2c(n1)CC[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC000662317813 409636288 /nfs/dbraw/zinc/63/62/88/409636288.db2.gz SVTOFSSQNUHNAI-UHFFFAOYSA-N 2 2 247.346 -0.260 20 0 BBADLP C[C@H](C(N)=O)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662318990 412097381 /nfs/dbraw/zinc/09/73/81/412097381.db2.gz IKBDGEPPJUFNNL-GHMZBOCLSA-N 2 2 243.351 -0.097 20 0 BBADLP C[C@H](C(N)=O)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662318990 412097379 /nfs/dbraw/zinc/09/73/79/412097379.db2.gz IKBDGEPPJUFNNL-GHMZBOCLSA-N 2 2 243.351 -0.097 20 0 BBADLP C[C@H](C(N)=O)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662318991 409637172 /nfs/dbraw/zinc/63/71/72/409637172.db2.gz IKBDGEPPJUFNNL-MNOVXSKESA-N 2 2 243.351 -0.097 20 0 BBADLP C[C@H](C(N)=O)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662318991 409637163 /nfs/dbraw/zinc/63/71/63/409637163.db2.gz IKBDGEPPJUFNNL-MNOVXSKESA-N 2 2 243.351 -0.097 20 0 BBADLP C[C@@H](C(N)=O)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662318992 409636879 /nfs/dbraw/zinc/63/68/79/409636879.db2.gz IKBDGEPPJUFNNL-QWRGUYRKSA-N 2 2 243.351 -0.097 20 0 BBADLP C[C@@H](C(N)=O)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662318992 409636875 /nfs/dbraw/zinc/63/68/75/409636875.db2.gz IKBDGEPPJUFNNL-QWRGUYRKSA-N 2 2 243.351 -0.097 20 0 BBADLP C[C@@H](C(N)=O)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662318993 409636267 /nfs/dbraw/zinc/63/62/67/409636267.db2.gz IKBDGEPPJUFNNL-WDEREUQCSA-N 2 2 243.351 -0.097 20 0 BBADLP C[C@@H](C(N)=O)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662318993 409636259 /nfs/dbraw/zinc/63/62/59/409636259.db2.gz IKBDGEPPJUFNNL-WDEREUQCSA-N 2 2 243.351 -0.097 20 0 BBADLP CNC(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319076 412099218 /nfs/dbraw/zinc/09/92/18/412099218.db2.gz KBPJZJHILSGIIX-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP CNC(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319076 412099213 /nfs/dbraw/zinc/09/92/13/412099213.db2.gz KBPJZJHILSGIIX-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP CNC(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319177 412097503 /nfs/dbraw/zinc/09/75/03/412097503.db2.gz KBPJZJHILSGIIX-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP CNC(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319177 412097495 /nfs/dbraw/zinc/09/74/95/412097495.db2.gz KBPJZJHILSGIIX-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP C[NH+](C)CCC[C@H]1C[N@@H+](CC(N)=O)CCO1 ZINC000662320870 412101360 /nfs/dbraw/zinc/10/13/60/412101360.db2.gz XGLAUZXQVLUNHZ-JTQLQIEISA-N 2 2 229.324 -0.486 20 0 BBADLP C[NH+](C)CCC[C@H]1C[N@H+](CC(N)=O)CCO1 ZINC000662320870 412101358 /nfs/dbraw/zinc/10/13/58/412101358.db2.gz XGLAUZXQVLUNHZ-JTQLQIEISA-N 2 2 229.324 -0.486 20 0 BBADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CC(N)=O)CCO1 ZINC000662320871 412100956 /nfs/dbraw/zinc/10/09/56/412100956.db2.gz XGLAUZXQVLUNHZ-SNVBAGLBSA-N 2 2 229.324 -0.486 20 0 BBADLP C[NH+](C)CCC[C@@H]1C[N@H+](CC(N)=O)CCO1 ZINC000662320871 412100955 /nfs/dbraw/zinc/10/09/55/412100955.db2.gz XGLAUZXQVLUNHZ-SNVBAGLBSA-N 2 2 229.324 -0.486 20 0 BBADLP [NH3+][C@@H]1CN(CC[NH+]2CCOCC2)CC[C@H]1F ZINC000662321853 412101566 /nfs/dbraw/zinc/10/15/66/412101566.db2.gz FDABBYIAHNXGAG-GHMZBOCLSA-N 2 2 231.315 -0.310 20 0 BBADLP CN(C)C(=O)CC[N@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662324470 412103865 /nfs/dbraw/zinc/10/38/65/412103865.db2.gz WDPDITBTNOZNAF-RKDXNWHRSA-N 2 2 217.288 -0.164 20 0 BBADLP CN(C)C(=O)CC[N@@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662324470 412103860 /nfs/dbraw/zinc/10/38/60/412103860.db2.gz WDPDITBTNOZNAF-RKDXNWHRSA-N 2 2 217.288 -0.164 20 0 BBADLP CC[C@H]([NH2+]C)C(=O)NCC[NH+]1CCOCC1 ZINC000662350031 412119870 /nfs/dbraw/zinc/11/98/70/412119870.db2.gz SIQALXSUVWFNGB-JTQLQIEISA-N 2 2 229.324 -0.567 20 0 BBADLP CC[C@@H]([NH2+]C)C(=O)NCC[NH+]1CCOCC1 ZINC000662350032 412120035 /nfs/dbraw/zinc/12/00/35/412120035.db2.gz SIQALXSUVWFNGB-SNVBAGLBSA-N 2 2 229.324 -0.567 20 0 BBADLP CC[C@@H]([NH2+]C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000662388828 412140804 /nfs/dbraw/zinc/14/08/04/412140804.db2.gz UQXKHZDTABMYCI-GHMZBOCLSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[C@H]([NH2+]C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000662388829 412140102 /nfs/dbraw/zinc/14/01/02/412140102.db2.gz UQXKHZDTABMYCI-MNOVXSKESA-N 2 2 243.351 -0.179 20 0 BBADLP CC[C@H]([NH2+]C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000662388832 412140550 /nfs/dbraw/zinc/14/05/50/412140550.db2.gz UQXKHZDTABMYCI-QWRGUYRKSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[C@@H]([NH2+]C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000662388834 412139897 /nfs/dbraw/zinc/13/98/97/412139897.db2.gz UQXKHZDTABMYCI-WDEREUQCSA-N 2 2 243.351 -0.179 20 0 BBADLP Nc1ccc(NC(=O)[C@@H]2CCO[C@H]2C[NH3+])c[nH+]1 ZINC000662413456 487603086 /nfs/dbraw/zinc/60/30/86/487603086.db2.gz WZVDGVSHKDQHBM-BDAKNGLRSA-N 2 2 236.275 -0.034 20 0 BBADLP Nc1ccc(NC(=O)[C@H]2CCO[C@@H]2C[NH3+])c[nH+]1 ZINC000662413458 487603188 /nfs/dbraw/zinc/60/31/88/487603188.db2.gz WZVDGVSHKDQHBM-DTWKUNHWSA-N 2 2 236.275 -0.034 20 0 BBADLP Nc1ccc(NC(=O)[C@H]2CCO[C@H]2C[NH3+])c[nH+]1 ZINC000662413460 487603060 /nfs/dbraw/zinc/60/30/60/487603060.db2.gz WZVDGVSHKDQHBM-IUCAKERBSA-N 2 2 236.275 -0.034 20 0 BBADLP Nc1ccc(NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])c[nH+]1 ZINC000662413465 487602918 /nfs/dbraw/zinc/60/29/18/487602918.db2.gz WZVDGVSHKDQHBM-RKDXNWHRSA-N 2 2 236.275 -0.034 20 0 BBADLP C[N@H+]1CCN(C(=O)CCCF)[C@H](C[NH3+])C1 ZINC000662430518 412168039 /nfs/dbraw/zinc/16/80/39/412168039.db2.gz ZFCMVBGLIBPQEQ-SECBINFHSA-N 2 2 217.288 -0.163 20 0 BBADLP C[N@@H+]1CCN(C(=O)CCCF)[C@H](C[NH3+])C1 ZINC000662430518 412168035 /nfs/dbraw/zinc/16/80/35/412168035.db2.gz ZFCMVBGLIBPQEQ-SECBINFHSA-N 2 2 217.288 -0.163 20 0 BBADLP C[N@H+]1CCN(C(=O)CCCF)[C@@H](C[NH3+])C1 ZINC000662430519 412168522 /nfs/dbraw/zinc/16/85/22/412168522.db2.gz ZFCMVBGLIBPQEQ-VIFPVBQESA-N 2 2 217.288 -0.163 20 0 BBADLP C[N@@H+]1CCN(C(=O)CCCF)[C@@H](C[NH3+])C1 ZINC000662430519 412168521 /nfs/dbraw/zinc/16/85/21/412168521.db2.gz ZFCMVBGLIBPQEQ-VIFPVBQESA-N 2 2 217.288 -0.163 20 0 BBADLP CC(C)[NH2+]CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000662438824 412174250 /nfs/dbraw/zinc/17/42/50/412174250.db2.gz CDHYLCRHGDQYBT-UHFFFAOYSA-N 2 2 243.351 -0.225 20 0 BBADLP CC[C@@H]([NH2+]C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000662440037 412176145 /nfs/dbraw/zinc/17/61/45/412176145.db2.gz TVTDYCKIDWUXMW-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP CC[C@H]([NH2+]C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000662440038 412177048 /nfs/dbraw/zinc/17/70/48/412177048.db2.gz TVTDYCKIDWUXMW-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP CC(C)[NH2+]CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000662444419 412178377 /nfs/dbraw/zinc/17/83/77/412178377.db2.gz GVKPYADEAAZNMD-LLVKDONJSA-N 2 2 243.351 -0.179 20 0 BBADLP CC(C)[NH2+]CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000662444419 412178374 /nfs/dbraw/zinc/17/83/74/412178374.db2.gz GVKPYADEAAZNMD-LLVKDONJSA-N 2 2 243.351 -0.179 20 0 BBADLP CC(C)[NH2+]CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000662444420 412178201 /nfs/dbraw/zinc/17/82/01/412178201.db2.gz GVKPYADEAAZNMD-NSHDSACASA-N 2 2 243.351 -0.179 20 0 BBADLP CC(C)[NH2+]CC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000662444420 412178196 /nfs/dbraw/zinc/17/81/96/412178196.db2.gz GVKPYADEAAZNMD-NSHDSACASA-N 2 2 243.351 -0.179 20 0 BBADLP C[NH2+][C@@H](C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000662445977 412178563 /nfs/dbraw/zinc/17/85/63/412178563.db2.gz BMAIWRVSUCQYTD-DCAQKATOSA-N 2 2 243.351 -0.180 20 0 BBADLP C[NH2+][C@@H](C)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000662445978 412178708 /nfs/dbraw/zinc/17/87/08/412178708.db2.gz BMAIWRVSUCQYTD-GARJFASQSA-N 2 2 243.351 -0.180 20 0 BBADLP C[NH2+][C@@H](C)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000662445979 412177796 /nfs/dbraw/zinc/17/77/96/412177796.db2.gz BMAIWRVSUCQYTD-OUAUKWLOSA-N 2 2 243.351 -0.180 20 0 BBADLP C[NH2+][C@@H](C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000662445980 412178345 /nfs/dbraw/zinc/17/83/45/412178345.db2.gz BMAIWRVSUCQYTD-VWYCJHECSA-N 2 2 243.351 -0.180 20 0 BBADLP CC[C@@H]([NH2+]C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000662446624 412178474 /nfs/dbraw/zinc/17/84/74/412178474.db2.gz ZCLBNKRGUUWJTC-GHMZBOCLSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[C@@H]([NH2+]C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000662446624 412178469 /nfs/dbraw/zinc/17/84/69/412178469.db2.gz ZCLBNKRGUUWJTC-GHMZBOCLSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[C@H]([NH2+]C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000662446625 412178139 /nfs/dbraw/zinc/17/81/39/412178139.db2.gz ZCLBNKRGUUWJTC-MNOVXSKESA-N 2 2 243.351 -0.179 20 0 BBADLP CC[C@H]([NH2+]C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000662446625 412178134 /nfs/dbraw/zinc/17/81/34/412178134.db2.gz ZCLBNKRGUUWJTC-MNOVXSKESA-N 2 2 243.351 -0.179 20 0 BBADLP CC[C@H]([NH2+]C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000662446626 412178696 /nfs/dbraw/zinc/17/86/96/412178696.db2.gz ZCLBNKRGUUWJTC-QWRGUYRKSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[C@H]([NH2+]C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000662446626 412178692 /nfs/dbraw/zinc/17/86/92/412178692.db2.gz ZCLBNKRGUUWJTC-QWRGUYRKSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[C@@H]([NH2+]C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000662446627 412178054 /nfs/dbraw/zinc/17/80/54/412178054.db2.gz ZCLBNKRGUUWJTC-WDEREUQCSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[C@@H]([NH2+]C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000662446627 412178050 /nfs/dbraw/zinc/17/80/50/412178050.db2.gz ZCLBNKRGUUWJTC-WDEREUQCSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[C@H]([NH2+]C)C(=O)N1CC[NH+](CCO)CC1 ZINC000662517291 412202291 /nfs/dbraw/zinc/20/22/91/412202291.db2.gz SYXUSUMJOSXVOV-JTQLQIEISA-N 2 2 229.324 -0.879 20 0 BBADLP CC[C@@H]([NH2+]C)C(=O)N1CC[NH+](CCO)CC1 ZINC000662517293 412203153 /nfs/dbraw/zinc/20/31/53/412203153.db2.gz SYXUSUMJOSXVOV-SNVBAGLBSA-N 2 2 229.324 -0.879 20 0 BBADLP CC(C)OC[C@H]([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000662523931 412204537 /nfs/dbraw/zinc/20/45/37/412204537.db2.gz HADOXEYKDZYIQK-JTQLQIEISA-N 2 2 240.307 -0.248 20 0 BBADLP CC[NH+]1CCN(C(=O)[C@@H]([NH3+])COC(C)C)CC1 ZINC000662523945 412204313 /nfs/dbraw/zinc/20/43/13/412204313.db2.gz RRQZREGIZIXTBX-NSHDSACASA-N 2 2 243.351 -0.097 20 0 BBADLP CC[C@@H]([NH2+]C)C(=O)NCCn1cc[nH+]c1 ZINC000662524262 412203350 /nfs/dbraw/zinc/20/33/50/412203350.db2.gz JUOXKDVUPMXKFX-SECBINFHSA-N 2 2 210.281 -0.003 20 0 BBADLP CC[C@H]([NH2+]C)C(=O)NCCn1cc[nH+]c1 ZINC000662524264 412203582 /nfs/dbraw/zinc/20/35/82/412203582.db2.gz JUOXKDVUPMXKFX-VIFPVBQESA-N 2 2 210.281 -0.003 20 0 BBADLP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH+](C)CC1 ZINC000662524424 412203661 /nfs/dbraw/zinc/20/36/61/412203661.db2.gz VNDKVOQWCXVOSN-JTQLQIEISA-N 2 2 229.324 -0.487 20 0 BBADLP CN(Cc1c[nH]c[nH+]1)C(=O)CCOC1C[NH2+]C1 ZINC000662586533 412230662 /nfs/dbraw/zinc/23/06/62/412230662.db2.gz VPUKGRZFOPPOEE-UHFFFAOYSA-N 2 2 238.291 -0.253 20 0 BBADLP CN(Cc1c[nH+]c[nH]1)C(=O)CCOC1C[NH2+]C1 ZINC000662586533 412230658 /nfs/dbraw/zinc/23/06/58/412230658.db2.gz VPUKGRZFOPPOEE-UHFFFAOYSA-N 2 2 238.291 -0.253 20 0 BBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C1(C)C[NH2+]C1 ZINC000662586757 412230265 /nfs/dbraw/zinc/23/02/65/412230265.db2.gz ZBQDDAGMDHLABJ-UHFFFAOYSA-N 2 2 208.265 -0.022 20 0 BBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C1(C)C[NH2+]C1 ZINC000662586757 412230264 /nfs/dbraw/zinc/23/02/64/412230264.db2.gz ZBQDDAGMDHLABJ-UHFFFAOYSA-N 2 2 208.265 -0.022 20 0 BBADLP CN(CC(C)(C)[NH3+])C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000662603573 412236639 /nfs/dbraw/zinc/23/66/39/412236639.db2.gz XHRKZPMOULEDSJ-SECBINFHSA-N 3 2 230.356 -0.539 20 0 BBADLP CN(CC(C)(C)[NH3+])C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000662603574 412236708 /nfs/dbraw/zinc/23/67/08/412236708.db2.gz XHRKZPMOULEDSJ-VIFPVBQESA-N 3 2 230.356 -0.539 20 0 BBADLP CC[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662629079 412249056 /nfs/dbraw/zinc/24/90/56/412249056.db2.gz ATKFDAIHERCYDE-AXFHLTTASA-N 2 2 243.351 -0.051 20 0 BBADLP CC[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662629079 412249054 /nfs/dbraw/zinc/24/90/54/412249054.db2.gz ATKFDAIHERCYDE-AXFHLTTASA-N 2 2 243.351 -0.051 20 0 BBADLP CC[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000662629080 412249011 /nfs/dbraw/zinc/24/90/11/412249011.db2.gz ATKFDAIHERCYDE-DCAQKATOSA-N 2 2 243.351 -0.051 20 0 BBADLP CC[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000662629080 412249008 /nfs/dbraw/zinc/24/90/08/412249008.db2.gz ATKFDAIHERCYDE-DCAQKATOSA-N 2 2 243.351 -0.051 20 0 BBADLP CC[C@@H]([NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000662629081 412248743 /nfs/dbraw/zinc/24/87/43/412248743.db2.gz ATKFDAIHERCYDE-GARJFASQSA-N 2 2 243.351 -0.051 20 0 BBADLP CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000662629081 412248742 /nfs/dbraw/zinc/24/87/42/412248742.db2.gz ATKFDAIHERCYDE-GARJFASQSA-N 2 2 243.351 -0.051 20 0 BBADLP CC[C@@H]([NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000662629082 412249032 /nfs/dbraw/zinc/24/90/32/412249032.db2.gz ATKFDAIHERCYDE-GMTAPVOTSA-N 2 2 243.351 -0.051 20 0 BBADLP CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000662629082 412249029 /nfs/dbraw/zinc/24/90/29/412249029.db2.gz ATKFDAIHERCYDE-GMTAPVOTSA-N 2 2 243.351 -0.051 20 0 BBADLP CC[C@@H]([NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662629083 412248393 /nfs/dbraw/zinc/24/83/93/412248393.db2.gz ATKFDAIHERCYDE-HBNTYKKESA-N 2 2 243.351 -0.051 20 0 BBADLP CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662629083 412248389 /nfs/dbraw/zinc/24/83/89/412248389.db2.gz ATKFDAIHERCYDE-HBNTYKKESA-N 2 2 243.351 -0.051 20 0 BBADLP CC[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000662629084 412249244 /nfs/dbraw/zinc/24/92/44/412249244.db2.gz ATKFDAIHERCYDE-MXWKQRLJSA-N 2 2 243.351 -0.051 20 0 BBADLP CC[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000662629084 412249242 /nfs/dbraw/zinc/24/92/42/412249242.db2.gz ATKFDAIHERCYDE-MXWKQRLJSA-N 2 2 243.351 -0.051 20 0 BBADLP CC[C@@H]([NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000662629086 412248640 /nfs/dbraw/zinc/24/86/40/412248640.db2.gz ATKFDAIHERCYDE-OUAUKWLOSA-N 2 2 243.351 -0.051 20 0 BBADLP CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000662629086 412248637 /nfs/dbraw/zinc/24/86/37/412248637.db2.gz ATKFDAIHERCYDE-OUAUKWLOSA-N 2 2 243.351 -0.051 20 0 BBADLP CC[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000662629087 412248963 /nfs/dbraw/zinc/24/89/63/412248963.db2.gz ATKFDAIHERCYDE-VWYCJHECSA-N 2 2 243.351 -0.051 20 0 BBADLP CC[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000662629087 412248962 /nfs/dbraw/zinc/24/89/62/412248962.db2.gz ATKFDAIHERCYDE-VWYCJHECSA-N 2 2 243.351 -0.051 20 0 BBADLP C[NH2+]CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000662629175 412248405 /nfs/dbraw/zinc/24/84/05/412248405.db2.gz COKDKDBLSQGFOF-NXEZZACHSA-N 2 2 229.324 -0.569 20 0 BBADLP C[NH2+]CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000662629175 412248402 /nfs/dbraw/zinc/24/84/02/412248402.db2.gz COKDKDBLSQGFOF-NXEZZACHSA-N 2 2 229.324 -0.569 20 0 BBADLP C[NH2+]CC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000662629176 412249239 /nfs/dbraw/zinc/24/92/39/412249239.db2.gz COKDKDBLSQGFOF-UWVGGRQHSA-N 2 2 229.324 -0.569 20 0 BBADLP C[NH2+]CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000662629176 412249238 /nfs/dbraw/zinc/24/92/38/412249238.db2.gz COKDKDBLSQGFOF-UWVGGRQHSA-N 2 2 229.324 -0.569 20 0 BBADLP C[NH2+]CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662629177 412248507 /nfs/dbraw/zinc/24/85/07/412248507.db2.gz COKDKDBLSQGFOF-VHSXEESVSA-N 2 2 229.324 -0.569 20 0 BBADLP C[NH2+]CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662629177 412248503 /nfs/dbraw/zinc/24/85/03/412248503.db2.gz COKDKDBLSQGFOF-VHSXEESVSA-N 2 2 229.324 -0.569 20 0 BBADLP C[NH2+]CC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000662629178 412248755 /nfs/dbraw/zinc/24/87/55/412248755.db2.gz COKDKDBLSQGFOF-ZJUUUORDSA-N 2 2 229.324 -0.569 20 0 BBADLP C[NH2+]CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000662629178 412248754 /nfs/dbraw/zinc/24/87/54/412248754.db2.gz COKDKDBLSQGFOF-ZJUUUORDSA-N 2 2 229.324 -0.569 20 0 BBADLP C[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662629344 412249226 /nfs/dbraw/zinc/24/92/26/412249226.db2.gz DBIZQHWYYXZWPX-AEJSXWLSSA-N 2 2 229.324 -0.441 20 0 BBADLP C[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662629344 412249223 /nfs/dbraw/zinc/24/92/23/412249223.db2.gz DBIZQHWYYXZWPX-AEJSXWLSSA-N 2 2 229.324 -0.441 20 0 BBADLP C[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000662629345 412249134 /nfs/dbraw/zinc/24/91/34/412249134.db2.gz DBIZQHWYYXZWPX-BBBLOLIVSA-N 2 2 229.324 -0.441 20 0 BBADLP C[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000662629345 412249132 /nfs/dbraw/zinc/24/91/32/412249132.db2.gz DBIZQHWYYXZWPX-BBBLOLIVSA-N 2 2 229.324 -0.441 20 0 BBADLP C[C@@H]([NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662629347 412249086 /nfs/dbraw/zinc/24/90/86/412249086.db2.gz DBIZQHWYYXZWPX-IVZWLZJFSA-N 2 2 229.324 -0.441 20 0 BBADLP C[C@@H]([NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662629347 412249084 /nfs/dbraw/zinc/24/90/84/412249084.db2.gz DBIZQHWYYXZWPX-IVZWLZJFSA-N 2 2 229.324 -0.441 20 0 BBADLP C[C@@H]([NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000662629348 412249233 /nfs/dbraw/zinc/24/92/33/412249233.db2.gz DBIZQHWYYXZWPX-KXUCPTDWSA-N 2 2 229.324 -0.441 20 0 BBADLP C[C@@H]([NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000662629348 412249230 /nfs/dbraw/zinc/24/92/30/412249230.db2.gz DBIZQHWYYXZWPX-KXUCPTDWSA-N 2 2 229.324 -0.441 20 0 BBADLP C[C@@H]([NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000662629351 412249164 /nfs/dbraw/zinc/24/91/64/412249164.db2.gz DBIZQHWYYXZWPX-LPEHRKFASA-N 2 2 229.324 -0.441 20 0 BBADLP C[C@@H]([NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000662629351 412249161 /nfs/dbraw/zinc/24/91/61/412249161.db2.gz DBIZQHWYYXZWPX-LPEHRKFASA-N 2 2 229.324 -0.441 20 0 BBADLP C[C@@H]([NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000662629357 412248624 /nfs/dbraw/zinc/24/86/24/412248624.db2.gz DBIZQHWYYXZWPX-OPRDCNLKSA-N 2 2 229.324 -0.441 20 0 BBADLP C[C@@H]([NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000662629357 412248620 /nfs/dbraw/zinc/24/86/20/412248620.db2.gz DBIZQHWYYXZWPX-OPRDCNLKSA-N 2 2 229.324 -0.441 20 0 BBADLP C[C@@H]([NH3+])CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662629763 409801383 /nfs/dbraw/zinc/80/13/83/409801383.db2.gz BHKFICMGLQSYGM-LLVKDONJSA-N 3 2 244.383 -0.277 20 0 BBADLP C[C@@H]([NH3+])CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662629763 409801376 /nfs/dbraw/zinc/80/13/76/409801376.db2.gz BHKFICMGLQSYGM-LLVKDONJSA-N 3 2 244.383 -0.277 20 0 BBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CC[NH2+]1 ZINC000662630335 412249109 /nfs/dbraw/zinc/24/91/09/412249109.db2.gz CKUYJBFUISSKRA-LLVKDONJSA-N 3 2 242.367 -0.652 20 0 BBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CC[NH2+]1 ZINC000662630335 412249108 /nfs/dbraw/zinc/24/91/08/412249108.db2.gz CKUYJBFUISSKRA-LLVKDONJSA-N 3 2 242.367 -0.652 20 0 BBADLP C[NH2+][C@@H](C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662630352 412250206 /nfs/dbraw/zinc/25/02/06/412250206.db2.gz CRYNVUJHIDGNGD-NSHDSACASA-N 3 2 244.383 -0.406 20 0 BBADLP C[NH2+][C@@H](C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662630352 412250205 /nfs/dbraw/zinc/25/02/05/412250205.db2.gz CRYNVUJHIDGNGD-NSHDSACASA-N 3 2 244.383 -0.406 20 0 BBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(C)(C)[NH3+] ZINC000662630884 412249749 /nfs/dbraw/zinc/24/97/49/412249749.db2.gz IJDRLETVXAITRM-UHFFFAOYSA-N 3 2 244.383 -0.277 20 0 BBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(C)(C)[NH3+] ZINC000662630884 412249746 /nfs/dbraw/zinc/24/97/46/412249746.db2.gz IJDRLETVXAITRM-UHFFFAOYSA-N 3 2 244.383 -0.277 20 0 BBADLP C[C@@H]1C[N@@H+](CCNC(=O)CC[NH3+])[C@H](C)CO1 ZINC000662631227 412250591 /nfs/dbraw/zinc/25/05/91/412250591.db2.gz QFVOOKKSOUMESV-NXEZZACHSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@@H]1C[N@H+](CCNC(=O)CC[NH3+])[C@H](C)CO1 ZINC000662631227 412250590 /nfs/dbraw/zinc/25/05/90/412250590.db2.gz QFVOOKKSOUMESV-NXEZZACHSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@H]1C[N@@H+](CCNC(=O)CC[NH3+])[C@@H](C)CO1 ZINC000662631228 412250077 /nfs/dbraw/zinc/25/00/77/412250077.db2.gz QFVOOKKSOUMESV-UWVGGRQHSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@H]1C[N@H+](CCNC(=O)CC[NH3+])[C@@H](C)CO1 ZINC000662631228 412250073 /nfs/dbraw/zinc/25/00/73/412250073.db2.gz QFVOOKKSOUMESV-UWVGGRQHSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@@H]1C[N@@H+](CCNC(=O)CC[NH3+])[C@@H](C)CO1 ZINC000662631229 412250637 /nfs/dbraw/zinc/25/06/37/412250637.db2.gz QFVOOKKSOUMESV-VHSXEESVSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@@H]1C[N@H+](CCNC(=O)CC[NH3+])[C@@H](C)CO1 ZINC000662631229 412250634 /nfs/dbraw/zinc/25/06/34/412250634.db2.gz QFVOOKKSOUMESV-VHSXEESVSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CC[NH3+] ZINC000662631230 412250271 /nfs/dbraw/zinc/25/02/71/412250271.db2.gz QFVOOKKSOUMESV-ZJUUUORDSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CC[NH3+] ZINC000662631230 412250270 /nfs/dbraw/zinc/25/02/70/412250270.db2.gz QFVOOKKSOUMESV-ZJUUUORDSA-N 2 2 229.324 -0.439 20 0 BBADLP CC[C@H]([NH3+])C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662632258 412250246 /nfs/dbraw/zinc/25/02/46/412250246.db2.gz OPEYCWWLDGPHEQ-NSHDSACASA-N 3 2 244.383 -0.277 20 0 BBADLP CC[C@H]([NH3+])C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662632258 412250243 /nfs/dbraw/zinc/25/02/43/412250243.db2.gz OPEYCWWLDGPHEQ-NSHDSACASA-N 3 2 244.383 -0.277 20 0 BBADLP C[C@H](C[NH3+])C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662632266 412250312 /nfs/dbraw/zinc/25/03/12/412250312.db2.gz OQPJUUAAQQQGHA-LLVKDONJSA-N 3 2 244.383 -0.419 20 0 BBADLP C[C@H](C[NH3+])C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662632266 412250307 /nfs/dbraw/zinc/25/03/07/412250307.db2.gz OQPJUUAAQQQGHA-LLVKDONJSA-N 3 2 244.383 -0.419 20 0 BBADLP C[C@@H](C[NH3+])C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662632283 412249982 /nfs/dbraw/zinc/24/99/82/412249982.db2.gz OQPJUUAAQQQGHA-NSHDSACASA-N 3 2 244.383 -0.419 20 0 BBADLP C[C@@H](C[NH3+])C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662632283 412249979 /nfs/dbraw/zinc/24/99/79/412249979.db2.gz OQPJUUAAQQQGHA-NSHDSACASA-N 3 2 244.383 -0.419 20 0 BBADLP C[NH2+]CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662632338 409803859 /nfs/dbraw/zinc/80/38/59/409803859.db2.gz CESVSFODLPZEOK-UHFFFAOYSA-N 3 2 230.356 -0.795 20 0 BBADLP C[NH2+]CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662632338 409803853 /nfs/dbraw/zinc/80/38/53/409803853.db2.gz CESVSFODLPZEOK-UHFFFAOYSA-N 3 2 230.356 -0.795 20 0 BBADLP C[NH2+][C@@H](C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662632513 412250221 /nfs/dbraw/zinc/25/02/21/412250221.db2.gz DGGJPSOWEGCXJG-AXFHLTTASA-N 2 2 243.351 -0.180 20 0 BBADLP C[NH2+][C@@H](C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662632513 412250218 /nfs/dbraw/zinc/25/02/18/412250218.db2.gz DGGJPSOWEGCXJG-AXFHLTTASA-N 2 2 243.351 -0.180 20 0 BBADLP C[NH2+][C@@H](C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000662632514 412249782 /nfs/dbraw/zinc/24/97/82/412249782.db2.gz DGGJPSOWEGCXJG-DCAQKATOSA-N 2 2 243.351 -0.180 20 0 BBADLP C[NH2+][C@@H](C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000662632514 412249781 /nfs/dbraw/zinc/24/97/81/412249781.db2.gz DGGJPSOWEGCXJG-DCAQKATOSA-N 2 2 243.351 -0.180 20 0 BBADLP C[NH2+][C@@H](C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000662632518 412249902 /nfs/dbraw/zinc/24/99/02/412249902.db2.gz DGGJPSOWEGCXJG-MXWKQRLJSA-N 2 2 243.351 -0.180 20 0 BBADLP C[NH2+][C@@H](C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000662632518 412249899 /nfs/dbraw/zinc/24/98/99/412249899.db2.gz DGGJPSOWEGCXJG-MXWKQRLJSA-N 2 2 243.351 -0.180 20 0 BBADLP C[NH2+][C@@H](C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000662632520 412250355 /nfs/dbraw/zinc/25/03/55/412250355.db2.gz DGGJPSOWEGCXJG-VWYCJHECSA-N 2 2 243.351 -0.180 20 0 BBADLP C[NH2+][C@@H](C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000662632520 412250353 /nfs/dbraw/zinc/25/03/53/412250353.db2.gz DGGJPSOWEGCXJG-VWYCJHECSA-N 2 2 243.351 -0.180 20 0 BBADLP C[NH2+]CCC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662632883 412250127 /nfs/dbraw/zinc/25/01/27/412250127.db2.gz VQQHHINOYYCSNV-UHFFFAOYSA-N 3 2 244.383 -0.404 20 0 BBADLP C[NH2+]CCC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662632883 412250123 /nfs/dbraw/zinc/25/01/23/412250123.db2.gz VQQHHINOYYCSNV-UHFFFAOYSA-N 3 2 244.383 -0.404 20 0 BBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCC[NH3+] ZINC000662632970 412251060 /nfs/dbraw/zinc/25/10/60/412251060.db2.gz WOYJUTGHYGAFNH-UHFFFAOYSA-N 3 2 244.383 -0.275 20 0 BBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCC[NH3+] ZINC000662632970 412251057 /nfs/dbraw/zinc/25/10/57/412251057.db2.gz WOYJUTGHYGAFNH-UHFFFAOYSA-N 3 2 244.383 -0.275 20 0 BBADLP C[C@@H]1C[N@@H+](CCNC(=O)C(C)(C)[NH3+])[C@H](C)CO1 ZINC000662633066 487680995 /nfs/dbraw/zinc/68/09/95/487680995.db2.gz JAJWKXNBALJAMF-NXEZZACHSA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@@H]1C[N@H+](CCNC(=O)C(C)(C)[NH3+])[C@H](C)CO1 ZINC000662633066 487680991 /nfs/dbraw/zinc/68/09/91/487680991.db2.gz JAJWKXNBALJAMF-NXEZZACHSA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@H]1C[N@@H+](CCNC(=O)C(C)(C)[NH3+])[C@@H](C)CO1 ZINC000662633067 487680795 /nfs/dbraw/zinc/68/07/95/487680795.db2.gz JAJWKXNBALJAMF-UWVGGRQHSA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@H]1C[N@H+](CCNC(=O)C(C)(C)[NH3+])[C@@H](C)CO1 ZINC000662633067 487680792 /nfs/dbraw/zinc/68/07/92/487680792.db2.gz JAJWKXNBALJAMF-UWVGGRQHSA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@@H]1C[N@@H+](CCNC(=O)C(C)(C)[NH3+])[C@@H](C)CO1 ZINC000662633068 487681216 /nfs/dbraw/zinc/68/12/16/487681216.db2.gz JAJWKXNBALJAMF-VHSXEESVSA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@@H]1C[N@H+](CCNC(=O)C(C)(C)[NH3+])[C@@H](C)CO1 ZINC000662633068 487681211 /nfs/dbraw/zinc/68/12/11/487681211.db2.gz JAJWKXNBALJAMF-VHSXEESVSA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C(C)(C)[NH3+] ZINC000662633069 487681038 /nfs/dbraw/zinc/68/10/38/487681038.db2.gz JAJWKXNBALJAMF-ZJUUUORDSA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C(C)(C)[NH3+] ZINC000662633069 487681034 /nfs/dbraw/zinc/68/10/34/487681034.db2.gz JAJWKXNBALJAMF-ZJUUUORDSA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@H]([NH3+])C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662633633 412251295 /nfs/dbraw/zinc/25/12/95/412251295.db2.gz MYJAGXMSPDFZNJ-JTQLQIEISA-N 3 2 230.356 -0.667 20 0 BBADLP C[C@H]([NH3+])C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662633633 412251293 /nfs/dbraw/zinc/25/12/93/412251293.db2.gz MYJAGXMSPDFZNJ-JTQLQIEISA-N 3 2 230.356 -0.667 20 0 BBADLP C[C@@H]([NH3+])C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662633634 412251816 /nfs/dbraw/zinc/25/18/16/412251816.db2.gz MYJAGXMSPDFZNJ-SNVBAGLBSA-N 3 2 230.356 -0.667 20 0 BBADLP C[C@@H]([NH3+])C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662633634 412251814 /nfs/dbraw/zinc/25/18/14/412251814.db2.gz MYJAGXMSPDFZNJ-SNVBAGLBSA-N 3 2 230.356 -0.667 20 0 BBADLP CC[C@@H]([NH3+])C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662633725 412248535 /nfs/dbraw/zinc/24/85/35/412248535.db2.gz OPEYCWWLDGPHEQ-LLVKDONJSA-N 3 2 244.383 -0.277 20 0 BBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CC[NH2+]2)[C@@H](C)CO1 ZINC000662634038 412251793 /nfs/dbraw/zinc/25/17/93/412251793.db2.gz PXIARNWUCNYSMH-GARJFASQSA-N 2 2 241.335 -0.426 20 0 BBADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2CC[NH2+]2)[C@@H](C)CO1 ZINC000662634038 412251792 /nfs/dbraw/zinc/25/17/92/412251792.db2.gz PXIARNWUCNYSMH-GARJFASQSA-N 2 2 241.335 -0.426 20 0 BBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC[NH2+]2)[C@H](C)CO1 ZINC000662634041 412251439 /nfs/dbraw/zinc/25/14/39/412251439.db2.gz PXIARNWUCNYSMH-GMTAPVOTSA-N 2 2 241.335 -0.426 20 0 BBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC[NH2+]2)[C@H](C)CO1 ZINC000662634041 412251438 /nfs/dbraw/zinc/25/14/38/412251438.db2.gz PXIARNWUCNYSMH-GMTAPVOTSA-N 2 2 241.335 -0.426 20 0 BBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC[NH2+]2)[C@@H](C)CO1 ZINC000662634043 412251681 /nfs/dbraw/zinc/25/16/81/412251681.db2.gz PXIARNWUCNYSMH-HBNTYKKESA-N 2 2 241.335 -0.426 20 0 BBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC[NH2+]2)[C@@H](C)CO1 ZINC000662634043 412251677 /nfs/dbraw/zinc/25/16/77/412251677.db2.gz PXIARNWUCNYSMH-HBNTYKKESA-N 2 2 241.335 -0.426 20 0 BBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000662634045 412251097 /nfs/dbraw/zinc/25/10/97/412251097.db2.gz PXIARNWUCNYSMH-OUAUKWLOSA-N 2 2 241.335 -0.426 20 0 BBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000662634045 412251096 /nfs/dbraw/zinc/25/10/96/412251096.db2.gz PXIARNWUCNYSMH-OUAUKWLOSA-N 2 2 241.335 -0.426 20 0 BBADLP C[C@H](CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)[NH+](C)C ZINC000662634838 412251188 /nfs/dbraw/zinc/25/11/88/412251188.db2.gz SOLUAGLTOZMKRQ-GHMZBOCLSA-N 3 2 244.383 -0.278 20 0 BBADLP C[C@H](CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)[NH+](C)C ZINC000662634845 412251242 /nfs/dbraw/zinc/25/12/42/412251242.db2.gz SOLUAGLTOZMKRQ-MNOVXSKESA-N 3 2 244.383 -0.278 20 0 BBADLP C[C@@H](CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)[NH+](C)C ZINC000662634851 412251406 /nfs/dbraw/zinc/25/14/06/412251406.db2.gz SOLUAGLTOZMKRQ-QWRGUYRKSA-N 3 2 244.383 -0.278 20 0 BBADLP C[C@@H](CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)[NH+](C)C ZINC000662634858 412251729 /nfs/dbraw/zinc/25/17/29/412251729.db2.gz SOLUAGLTOZMKRQ-WDEREUQCSA-N 3 2 244.383 -0.278 20 0 BBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC[NH3+] ZINC000662635026 409806404 /nfs/dbraw/zinc/80/64/04/409806404.db2.gz TZSNFRFIMLCXPU-UHFFFAOYSA-N 3 2 230.356 -0.665 20 0 BBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC[NH3+] ZINC000662635026 409806391 /nfs/dbraw/zinc/80/63/91/409806391.db2.gz TZSNFRFIMLCXPU-UHFFFAOYSA-N 3 2 230.356 -0.665 20 0 BBADLP C[C@@H](C[NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662635436 412251132 /nfs/dbraw/zinc/25/11/32/412251132.db2.gz VRGVIUXAUHJAEO-GARJFASQSA-N 2 2 243.351 -0.193 20 0 BBADLP C[C@@H](C[NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662635436 412251128 /nfs/dbraw/zinc/25/11/28/412251128.db2.gz VRGVIUXAUHJAEO-GARJFASQSA-N 2 2 243.351 -0.193 20 0 BBADLP C[C@H](C[NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000662635437 412251549 /nfs/dbraw/zinc/25/15/49/412251549.db2.gz VRGVIUXAUHJAEO-GMTAPVOTSA-N 2 2 243.351 -0.193 20 0 BBADLP C[C@H](C[NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000662635437 412251544 /nfs/dbraw/zinc/25/15/44/412251544.db2.gz VRGVIUXAUHJAEO-GMTAPVOTSA-N 2 2 243.351 -0.193 20 0 BBADLP C[C@@H](C[NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000662635438 412251289 /nfs/dbraw/zinc/25/12/89/412251289.db2.gz VRGVIUXAUHJAEO-HBNTYKKESA-N 2 2 243.351 -0.193 20 0 BBADLP C[C@@H](C[NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000662635438 412251287 /nfs/dbraw/zinc/25/12/87/412251287.db2.gz VRGVIUXAUHJAEO-HBNTYKKESA-N 2 2 243.351 -0.193 20 0 BBADLP C[C@H](C[NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662635439 412251310 /nfs/dbraw/zinc/25/13/10/412251310.db2.gz VRGVIUXAUHJAEO-OUAUKWLOSA-N 2 2 243.351 -0.193 20 0 BBADLP C[C@H](C[NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662635439 412251307 /nfs/dbraw/zinc/25/13/07/412251307.db2.gz VRGVIUXAUHJAEO-OUAUKWLOSA-N 2 2 243.351 -0.193 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000662647682 412255058 /nfs/dbraw/zinc/25/50/58/412255058.db2.gz QTNKVLBSYVQOER-JTQLQIEISA-N 3 2 242.367 -0.347 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000662647683 412254972 /nfs/dbraw/zinc/25/49/72/412254972.db2.gz QTNKVLBSYVQOER-SNVBAGLBSA-N 3 2 242.367 -0.347 20 0 BBADLP CC(C)([NH3+])C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662655834 412258469 /nfs/dbraw/zinc/25/84/69/412258469.db2.gz LEJLBDNOYJUBGM-JTQLQIEISA-N 2 2 241.335 -0.343 20 0 BBADLP CC(C)([NH3+])C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662655835 412258810 /nfs/dbraw/zinc/25/88/10/412258810.db2.gz LEJLBDNOYJUBGM-SNVBAGLBSA-N 2 2 241.335 -0.343 20 0 BBADLP CC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662656604 412258765 /nfs/dbraw/zinc/25/87/65/412258765.db2.gz QEAYORJYNXSZAU-GHMZBOCLSA-N 2 2 241.335 -0.343 20 0 BBADLP CC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662656605 412258560 /nfs/dbraw/zinc/25/85/60/412258560.db2.gz QEAYORJYNXSZAU-MNOVXSKESA-N 2 2 241.335 -0.343 20 0 BBADLP CC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662656606 412259983 /nfs/dbraw/zinc/25/99/83/412259983.db2.gz QEAYORJYNXSZAU-QWRGUYRKSA-N 2 2 241.335 -0.343 20 0 BBADLP CC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662656607 412259992 /nfs/dbraw/zinc/25/99/92/412259992.db2.gz QEAYORJYNXSZAU-WDEREUQCSA-N 2 2 241.335 -0.343 20 0 BBADLP [NH3+][C@H]1C[C@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000662658005 412259439 /nfs/dbraw/zinc/25/94/39/412259439.db2.gz ALLWFLAETAYFDX-MGCOHNPYSA-N 2 2 227.308 -0.828 20 0 BBADLP O=C(NCc1cn2ccccc2[nH+]1)C1(O)C[NH2+]C1 ZINC000662663891 409823619 /nfs/dbraw/zinc/82/36/19/409823619.db2.gz MBKIPXGUZBMHLQ-UHFFFAOYSA-N 2 2 246.270 -0.715 20 0 BBADLP [NH3+][C@H]1C[C@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000662664097 412263326 /nfs/dbraw/zinc/26/33/26/412263326.db2.gz NSMJKDPLBFPWCZ-KYZUINATSA-N 2 2 208.265 -0.263 20 0 BBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662683599 412269757 /nfs/dbraw/zinc/26/97/57/412269757.db2.gz TXKOYXDFAGNNFG-DCAQKATOSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662683601 409832560 /nfs/dbraw/zinc/83/25/60/409832560.db2.gz TXKOYXDFAGNNFG-GMTAPVOTSA-N 2 2 241.335 -0.439 20 0 BBADLP O=C(NCCCCn1cc[nH+]c1)C1(O)C[NH2+]C1 ZINC000662688764 412272154 /nfs/dbraw/zinc/27/21/54/412272154.db2.gz BEHNYNJKOPEJGM-UHFFFAOYSA-N 2 2 238.291 -0.886 20 0 BBADLP COc1cc[nH+]cc1NC(=O)C1(O)C[NH2+]C1 ZINC000662700401 412275500 /nfs/dbraw/zinc/27/55/00/412275500.db2.gz HHFZWBXOGNKOHU-UHFFFAOYSA-N 2 2 223.232 -0.637 20 0 BBADLP CC[C@@H]([NH2+]C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000662701169 409850041 /nfs/dbraw/zinc/85/00/41/409850041.db2.gz MKVBVCGCFKDZGG-GHMZBOCLSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[C@@H]([NH2+]C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000662701169 409850030 /nfs/dbraw/zinc/85/00/30/409850030.db2.gz MKVBVCGCFKDZGG-GHMZBOCLSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[C@H]([NH2+]C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000662701173 409850818 /nfs/dbraw/zinc/85/08/18/409850818.db2.gz MKVBVCGCFKDZGG-MNOVXSKESA-N 2 2 243.351 -0.179 20 0 BBADLP CC[C@H]([NH2+]C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000662701173 409850808 /nfs/dbraw/zinc/85/08/08/409850808.db2.gz MKVBVCGCFKDZGG-MNOVXSKESA-N 2 2 243.351 -0.179 20 0 BBADLP CC[C@H]([NH2+]C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000662701176 409849996 /nfs/dbraw/zinc/84/99/96/409849996.db2.gz MKVBVCGCFKDZGG-QWRGUYRKSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[C@H]([NH2+]C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000662701176 409849988 /nfs/dbraw/zinc/84/99/88/409849988.db2.gz MKVBVCGCFKDZGG-QWRGUYRKSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[C@@H]([NH2+]C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000662701179 409848523 /nfs/dbraw/zinc/84/85/23/409848523.db2.gz MKVBVCGCFKDZGG-WDEREUQCSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[C@@H]([NH2+]C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000662701179 409848515 /nfs/dbraw/zinc/84/85/15/409848515.db2.gz MKVBVCGCFKDZGG-WDEREUQCSA-N 2 2 243.351 -0.179 20 0 BBADLP C[C@H]1C[N@@H+](CCNC(=O)CC2([NH3+])CC2)CCO1 ZINC000662701252 412275218 /nfs/dbraw/zinc/27/52/18/412275218.db2.gz NQCUHFOAZRWFAF-JTQLQIEISA-N 2 2 241.335 -0.295 20 0 BBADLP C[C@H]1C[N@H+](CCNC(=O)CC2([NH3+])CC2)CCO1 ZINC000662701252 412275214 /nfs/dbraw/zinc/27/52/14/412275214.db2.gz NQCUHFOAZRWFAF-JTQLQIEISA-N 2 2 241.335 -0.295 20 0 BBADLP C[C@@H]1C[N@@H+](CCNC(=O)CC2([NH3+])CC2)CCO1 ZINC000662701253 412275833 /nfs/dbraw/zinc/27/58/33/412275833.db2.gz NQCUHFOAZRWFAF-SNVBAGLBSA-N 2 2 241.335 -0.295 20 0 BBADLP C[C@@H]1C[N@H+](CCNC(=O)CC2([NH3+])CC2)CCO1 ZINC000662701253 412275831 /nfs/dbraw/zinc/27/58/31/412275831.db2.gz NQCUHFOAZRWFAF-SNVBAGLBSA-N 2 2 241.335 -0.295 20 0 BBADLP CC(C)[NH2+]CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000662702086 412275324 /nfs/dbraw/zinc/27/53/24/412275324.db2.gz XGQPIFGZPZHOGF-LLVKDONJSA-N 2 2 243.351 -0.179 20 0 BBADLP CC(C)[NH2+]CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000662702087 412275704 /nfs/dbraw/zinc/27/57/04/412275704.db2.gz XGQPIFGZPZHOGF-NSHDSACASA-N 2 2 243.351 -0.179 20 0 BBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2C[C@H]([NH3+])C2)CCO1 ZINC000662702093 412275404 /nfs/dbraw/zinc/27/54/04/412275404.db2.gz XOMPIORGLOPUFT-DCAQKATOSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2C[C@H]([NH3+])C2)CCO1 ZINC000662702093 412275401 /nfs/dbraw/zinc/27/54/01/412275401.db2.gz XOMPIORGLOPUFT-DCAQKATOSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2C[C@H]([NH3+])C2)CCO1 ZINC000662702272 412275169 /nfs/dbraw/zinc/27/51/69/412275169.db2.gz XOMPIORGLOPUFT-GMTAPVOTSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2C[C@H]([NH3+])C2)CCO1 ZINC000662702272 412275167 /nfs/dbraw/zinc/27/51/67/412275167.db2.gz XOMPIORGLOPUFT-GMTAPVOTSA-N 2 2 241.335 -0.439 20 0 BBADLP Cc1cn2cc(NC(=O)C3(O)C[NH2+]C3)ccc2[nH+]1 ZINC000662713303 412280229 /nfs/dbraw/zinc/28/02/29/412280229.db2.gz YTRBFKWKPJHVGU-UHFFFAOYSA-N 2 2 246.270 -0.084 20 0 BBADLP Cc1c[nH+]ccc1NC(=O)C1(O)C[NH2+]C1 ZINC000662714393 412281093 /nfs/dbraw/zinc/28/10/93/412281093.db2.gz DCQYTQZCSRYJTN-UHFFFAOYSA-N 2 2 207.233 -0.915 20 0 BBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662714577 412281036 /nfs/dbraw/zinc/28/10/36/412281036.db2.gz JCOYXRJOKCQMGC-DCAQKATOSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662714577 412281033 /nfs/dbraw/zinc/28/10/33/412281033.db2.gz JCOYXRJOKCQMGC-DCAQKATOSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662714578 412280892 /nfs/dbraw/zinc/28/08/92/412280892.db2.gz JCOYXRJOKCQMGC-GMTAPVOTSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662714578 412280889 /nfs/dbraw/zinc/28/08/89/412280889.db2.gz JCOYXRJOKCQMGC-GMTAPVOTSA-N 2 2 241.335 -0.439 20 0 BBADLP C[C@H]1COCC[N@H+]1CCNC(=O)CC1([NH3+])CC1 ZINC000662715258 412281738 /nfs/dbraw/zinc/28/17/38/412281738.db2.gz RHYLHXBMTLXZLA-JTQLQIEISA-N 2 2 241.335 -0.295 20 0 BBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CC1([NH3+])CC1 ZINC000662715258 412281736 /nfs/dbraw/zinc/28/17/36/412281736.db2.gz RHYLHXBMTLXZLA-JTQLQIEISA-N 2 2 241.335 -0.295 20 0 BBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CC1([NH3+])CC1 ZINC000662715260 412281066 /nfs/dbraw/zinc/28/10/66/412281066.db2.gz RHYLHXBMTLXZLA-SNVBAGLBSA-N 2 2 241.335 -0.295 20 0 BBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CC1([NH3+])CC1 ZINC000662715260 412281064 /nfs/dbraw/zinc/28/10/64/412281064.db2.gz RHYLHXBMTLXZLA-SNVBAGLBSA-N 2 2 241.335 -0.295 20 0 BBADLP Cn1cc[nH+]c1CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662718285 412282268 /nfs/dbraw/zinc/28/22/68/412282268.db2.gz XJATYMPPMGENTO-ZKCHVHJHSA-N 2 2 208.265 -0.226 20 0 BBADLP [NH3+][C@H]1C[C@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000662731075 409876028 /nfs/dbraw/zinc/87/60/28/409876028.db2.gz XKMKHCHHCMMAKZ-ZKCHVHJHSA-N 2 2 208.265 -0.194 20 0 BBADLP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000662732544 412287702 /nfs/dbraw/zinc/28/77/02/412287702.db2.gz XKVHIQAHBPGZAQ-GHMZBOCLSA-N 3 2 244.383 -0.245 20 0 BBADLP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000662732548 412288341 /nfs/dbraw/zinc/28/83/41/412288341.db2.gz XKVHIQAHBPGZAQ-MNOVXSKESA-N 3 2 244.383 -0.245 20 0 BBADLP O=C(N1CC[NH+](C2CCC2)CC1)C1(O)C[NH2+]C1 ZINC000662732670 412287144 /nfs/dbraw/zinc/28/71/44/412287144.db2.gz MGSDLBPQVVEUBA-UHFFFAOYSA-N 2 2 239.319 -0.983 20 0 BBADLP O=C(Nc1ccc2[nH+]ccn2c1)C1(O)C[NH2+]C1 ZINC000662735402 412289131 /nfs/dbraw/zinc/28/91/31/412289131.db2.gz NNMSQSAJSKCTCH-UHFFFAOYSA-N 2 2 232.243 -0.393 20 0 BBADLP O=C(NCc1ccn2cc[nH+]c2c1)C1(O)C[NH2+]C1 ZINC000662736702 412289038 /nfs/dbraw/zinc/28/90/38/412289038.db2.gz ITAOPYPEQRFFRW-UHFFFAOYSA-N 2 2 246.270 -0.715 20 0 BBADLP CN(C)c1cc(NC(=O)C2(O)C[NH2+]C2)cc[nH+]1 ZINC000662750210 412290967 /nfs/dbraw/zinc/29/09/67/412290967.db2.gz LBAALAZLQRIJNJ-UHFFFAOYSA-N 2 2 236.275 -0.580 20 0 BBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662788009 412302500 /nfs/dbraw/zinc/30/25/00/412302500.db2.gz FUYVAOLZPUHOFC-XYPYZODXSA-N 2 2 241.335 -0.486 20 0 BBADLP CN(CC[NH+]1CCOCC1)C(=O)CC1([NH3+])CC1 ZINC000662788291 412302980 /nfs/dbraw/zinc/30/29/80/412302980.db2.gz IBAZFSYGJWIAKW-UHFFFAOYSA-N 2 2 241.335 -0.342 20 0 BBADLP CN(CCCn1cc[nH+]c1)C(=O)C1(O)C[NH2+]C1 ZINC000662799988 412306147 /nfs/dbraw/zinc/30/61/47/412306147.db2.gz OHAFVSXUTWTBHS-UHFFFAOYSA-N 2 2 238.291 -0.934 20 0 BBADLP Cc1cc(CNC(=O)C2(O)C[NH2+]C2)cc(C)[nH+]1 ZINC000662818321 409932157 /nfs/dbraw/zinc/93/21/57/409932157.db2.gz VMFXIMLBUXTPQB-UHFFFAOYSA-N 2 2 235.287 -0.351 20 0 BBADLP CN(Cc1c[nH]c[nH+]1)C(=O)COC1(C)C[NH2+]C1 ZINC000662839129 412316309 /nfs/dbraw/zinc/31/63/09/412316309.db2.gz NKNGPDXMSQTFIZ-UHFFFAOYSA-N 2 2 238.291 -0.253 20 0 BBADLP CN(Cc1c[nH+]c[nH]1)C(=O)COC1(C)C[NH2+]C1 ZINC000662839129 412316305 /nfs/dbraw/zinc/31/63/05/412316305.db2.gz NKNGPDXMSQTFIZ-UHFFFAOYSA-N 2 2 238.291 -0.253 20 0 BBADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000662839131 412316681 /nfs/dbraw/zinc/31/66/81/412316681.db2.gz NMRHNOZFESXWDX-MYJAWHEDSA-N 2 2 220.276 -0.167 20 0 BBADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000662839131 412316676 /nfs/dbraw/zinc/31/66/76/412316676.db2.gz NMRHNOZFESXWDX-MYJAWHEDSA-N 2 2 220.276 -0.167 20 0 BBADLP COCC1(N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000662849282 412321551 /nfs/dbraw/zinc/32/15/51/412321551.db2.gz FVQDUQXLFWUUKD-JTQLQIEISA-N 2 2 243.351 -0.097 20 0 BBADLP COCC1(N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000662849283 412321963 /nfs/dbraw/zinc/32/19/63/412321963.db2.gz FVQDUQXLFWUUKD-SNVBAGLBSA-N 2 2 243.351 -0.097 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H](CO)C1CCC1 ZINC000662852912 487739035 /nfs/dbraw/zinc/73/90/35/487739035.db2.gz NPMFCCQDVSOENJ-GHMZBOCLSA-N 2 2 243.351 -0.457 20 0 BBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H](CO)C1CCC1 ZINC000662852916 487739265 /nfs/dbraw/zinc/73/92/65/487739265.db2.gz NPMFCCQDVSOENJ-MNOVXSKESA-N 2 2 243.351 -0.457 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H](CO)C1CCC1 ZINC000662852919 487738275 /nfs/dbraw/zinc/73/82/75/487738275.db2.gz NPMFCCQDVSOENJ-QWRGUYRKSA-N 2 2 243.351 -0.457 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H](CO)C1CCC1 ZINC000662852925 487738240 /nfs/dbraw/zinc/73/82/40/487738240.db2.gz NPMFCCQDVSOENJ-WDEREUQCSA-N 2 2 243.351 -0.457 20 0 BBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1([NH3+])CC1 ZINC000662857225 412327342 /nfs/dbraw/zinc/32/73/42/412327342.db2.gz IMBNLIVHUAHOBB-UHFFFAOYSA-N 3 2 242.367 -0.523 20 0 BBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1([NH3+])CC1 ZINC000662857225 412327340 /nfs/dbraw/zinc/32/73/40/412327340.db2.gz IMBNLIVHUAHOBB-UHFFFAOYSA-N 3 2 242.367 -0.523 20 0 BBADLP C[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000662857936 409957210 /nfs/dbraw/zinc/95/72/10/409957210.db2.gz DBIZQHWYYXZWPX-GUBZILKMSA-N 2 2 229.324 -0.441 20 0 BBADLP C[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000662857936 409957206 /nfs/dbraw/zinc/95/72/06/409957206.db2.gz DBIZQHWYYXZWPX-GUBZILKMSA-N 2 2 229.324 -0.441 20 0 BBADLP C[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000662857938 409958482 /nfs/dbraw/zinc/95/84/82/409958482.db2.gz DBIZQHWYYXZWPX-UTLUCORTSA-N 2 2 229.324 -0.441 20 0 BBADLP C[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000662857938 409958473 /nfs/dbraw/zinc/95/84/73/409958473.db2.gz DBIZQHWYYXZWPX-UTLUCORTSA-N 2 2 229.324 -0.441 20 0 BBADLP C[C@@H]1C[N@@H+](CCNC(=O)C2([NH3+])CC2)[C@H](C)CO1 ZINC000662859201 412327135 /nfs/dbraw/zinc/32/71/35/412327135.db2.gz LLLOTZBUFIUNLG-NXEZZACHSA-N 2 2 241.335 -0.297 20 0 BBADLP C[C@@H]1C[N@H+](CCNC(=O)C2([NH3+])CC2)[C@H](C)CO1 ZINC000662859201 412327130 /nfs/dbraw/zinc/32/71/30/412327130.db2.gz LLLOTZBUFIUNLG-NXEZZACHSA-N 2 2 241.335 -0.297 20 0 BBADLP C[C@H]1C[N@@H+](CCNC(=O)C2([NH3+])CC2)[C@@H](C)CO1 ZINC000662859202 412326641 /nfs/dbraw/zinc/32/66/41/412326641.db2.gz LLLOTZBUFIUNLG-UWVGGRQHSA-N 2 2 241.335 -0.297 20 0 BBADLP C[C@H]1C[N@H+](CCNC(=O)C2([NH3+])CC2)[C@@H](C)CO1 ZINC000662859202 412326638 /nfs/dbraw/zinc/32/66/38/412326638.db2.gz LLLOTZBUFIUNLG-UWVGGRQHSA-N 2 2 241.335 -0.297 20 0 BBADLP C[C@@H]1C[N@@H+](CCNC(=O)C2([NH3+])CC2)[C@@H](C)CO1 ZINC000662859204 412327774 /nfs/dbraw/zinc/32/77/74/412327774.db2.gz LLLOTZBUFIUNLG-VHSXEESVSA-N 2 2 241.335 -0.297 20 0 BBADLP C[C@@H]1C[N@H+](CCNC(=O)C2([NH3+])CC2)[C@@H](C)CO1 ZINC000662859204 412327772 /nfs/dbraw/zinc/32/77/72/412327772.db2.gz LLLOTZBUFIUNLG-VHSXEESVSA-N 2 2 241.335 -0.297 20 0 BBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C1([NH3+])CC1 ZINC000662859205 412328588 /nfs/dbraw/zinc/32/85/88/412328588.db2.gz LLLOTZBUFIUNLG-ZJUUUORDSA-N 2 2 241.335 -0.297 20 0 BBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C1([NH3+])CC1 ZINC000662859205 412328585 /nfs/dbraw/zinc/32/85/85/412328585.db2.gz LLLOTZBUFIUNLG-ZJUUUORDSA-N 2 2 241.335 -0.297 20 0 BBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C[NH3+] ZINC000662860738 412327913 /nfs/dbraw/zinc/32/79/13/412327913.db2.gz UWLKFHZECYQKME-BDAKNGLRSA-N 2 2 215.297 -0.830 20 0 BBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C[NH3+] ZINC000662860738 412327911 /nfs/dbraw/zinc/32/79/11/412327911.db2.gz UWLKFHZECYQKME-BDAKNGLRSA-N 2 2 215.297 -0.830 20 0 BBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[NH3+])[C@@H](C)CO1 ZINC000662860739 412328640 /nfs/dbraw/zinc/32/86/40/412328640.db2.gz UWLKFHZECYQKME-DTWKUNHWSA-N 2 2 215.297 -0.830 20 0 BBADLP C[C@@H]1C[N@H+](CCNC(=O)C[NH3+])[C@@H](C)CO1 ZINC000662860739 412328637 /nfs/dbraw/zinc/32/86/37/412328637.db2.gz UWLKFHZECYQKME-DTWKUNHWSA-N 2 2 215.297 -0.830 20 0 BBADLP C[C@H]1C[N@@H+](CCNC(=O)C[NH3+])[C@@H](C)CO1 ZINC000662860740 412328277 /nfs/dbraw/zinc/32/82/77/412328277.db2.gz UWLKFHZECYQKME-IUCAKERBSA-N 2 2 215.297 -0.830 20 0 BBADLP C[C@H]1C[N@H+](CCNC(=O)C[NH3+])[C@@H](C)CO1 ZINC000662860740 412328275 /nfs/dbraw/zinc/32/82/75/412328275.db2.gz UWLKFHZECYQKME-IUCAKERBSA-N 2 2 215.297 -0.830 20 0 BBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[NH3+])[C@H](C)CO1 ZINC000662860741 409957411 /nfs/dbraw/zinc/95/74/11/409957411.db2.gz UWLKFHZECYQKME-RKDXNWHRSA-N 2 2 215.297 -0.830 20 0 BBADLP C[C@@H]1C[N@H+](CCNC(=O)C[NH3+])[C@H](C)CO1 ZINC000662860741 409957403 /nfs/dbraw/zinc/95/74/03/409957403.db2.gz UWLKFHZECYQKME-RKDXNWHRSA-N 2 2 215.297 -0.830 20 0 BBADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000662901474 409977102 /nfs/dbraw/zinc/97/71/02/409977102.db2.gz IHZPYAWSKNGDCY-MRVPVSSYSA-N 2 2 238.291 -0.586 20 0 BBADLP CCn1cc[nH+]c1[C@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000662901475 409975986 /nfs/dbraw/zinc/97/59/86/409975986.db2.gz IHZPYAWSKNGDCY-QMMMGPOBSA-N 2 2 238.291 -0.586 20 0 BBADLP [NH3+]CC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662910157 412342559 /nfs/dbraw/zinc/34/25/59/412342559.db2.gz LTXUNCQKLPRUBT-UHFFFAOYSA-N 2 2 241.335 -0.484 20 0 BBADLP COCC[NH2+]CC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662934755 412349163 /nfs/dbraw/zinc/34/91/63/412349163.db2.gz QJUXBQUGZASLOA-SECBINFHSA-N 2 2 240.307 -0.167 20 0 BBADLP COCC[NH2+]CC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662934756 412349411 /nfs/dbraw/zinc/34/94/11/412349411.db2.gz QJUXBQUGZASLOA-VIFPVBQESA-N 2 2 240.307 -0.167 20 0 BBADLP COc1c(N)[nH+]cnc1N1CCC[C@@H]([NH3+])C1 ZINC000663235799 582716300 /nfs/dbraw/zinc/71/63/00/582716300.db2.gz AASHDCINYFPQKE-SSDOTTSWSA-N 2 2 223.280 -0.005 20 0 BBADLP COc1c(N)[nH+]cnc1N1CCC[C@H]([NH3+])C1 ZINC000663235803 582716270 /nfs/dbraw/zinc/71/62/70/582716270.db2.gz AASHDCINYFPQKE-ZETCQYMHSA-N 2 2 223.280 -0.005 20 0 BBADLP COc1c(N)[nH+]cnc1N1CC[NH2+][C@H](C)C1 ZINC000663235896 412397263 /nfs/dbraw/zinc/39/72/63/412397263.db2.gz AYDYLZBGOSNRBC-SSDOTTSWSA-N 2 2 223.280 -0.135 20 0 BBADLP COc1c(N)[nH+]cnc1N1CC[NH2+][C@@H](C)C1 ZINC000663235899 412397031 /nfs/dbraw/zinc/39/70/31/412397031.db2.gz AYDYLZBGOSNRBC-ZETCQYMHSA-N 2 2 223.280 -0.135 20 0 BBADLP COc1c(N)[nH+]cnc1N1CCC[NH2+]CC1 ZINC000663237768 412398102 /nfs/dbraw/zinc/39/81/02/412398102.db2.gz QWJLXOJNYUSCAN-UHFFFAOYSA-N 2 2 223.280 -0.133 20 0 BBADLP COc1c(N)nc[nH+]c1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000663239282 410086626 /nfs/dbraw/zinc/08/66/26/410086626.db2.gz MZWJIOUWCGUKLW-ZMONIFLSSA-N 2 2 221.264 -0.303 20 0 BBADLP COc1c(N)[nH+]cnc1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000663239282 410086621 /nfs/dbraw/zinc/08/66/21/410086621.db2.gz MZWJIOUWCGUKLW-ZMONIFLSSA-N 2 2 221.264 -0.303 20 0 BBADLP COc1c(N)[nH+]cnc1N[C@H]1CC[NH2+]C1 ZINC000663239361 412398152 /nfs/dbraw/zinc/39/81/52/412398152.db2.gz OOUKWMBFBIDWQH-LURJTMIESA-N 2 2 209.253 -0.159 20 0 BBADLP COc1c(N)[nH+]cnc1N1CC2CC1(C[NH3+])C2 ZINC000663241086 410085768 /nfs/dbraw/zinc/08/57/68/410085768.db2.gz LHAFRKMEFZCJJB-UHFFFAOYSA-N 2 2 235.291 -0.005 20 0 BBADLP COc1c(N)[nH+]cnc1N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000663242357 412399442 /nfs/dbraw/zinc/39/94/42/412399442.db2.gz VAKMHFSJCZSFDF-RNFRBKRXSA-N 2 2 241.270 -0.057 20 0 BBADLP C[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)CC[N@H+]1C ZINC000663458094 411661005 /nfs/dbraw/zinc/66/10/05/411661005.db2.gz RYKCEPPIGWXCQW-AEJSXWLSSA-N 2 2 211.309 -0.053 20 0 BBADLP C[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)CC[N@@H+]1C ZINC000663458094 411661002 /nfs/dbraw/zinc/66/10/02/411661002.db2.gz RYKCEPPIGWXCQW-AEJSXWLSSA-N 2 2 211.309 -0.053 20 0 BBADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)CC[N@H+]1C ZINC000663458097 411661180 /nfs/dbraw/zinc/66/11/80/411661180.db2.gz RYKCEPPIGWXCQW-GUBZILKMSA-N 2 2 211.309 -0.053 20 0 BBADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)CC[N@@H+]1C ZINC000663458097 411661177 /nfs/dbraw/zinc/66/11/77/411661177.db2.gz RYKCEPPIGWXCQW-GUBZILKMSA-N 2 2 211.309 -0.053 20 0 BBADLP C([N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663492901 411670801 /nfs/dbraw/zinc/67/08/01/411670801.db2.gz DOVAXJXUINSNHM-KXNHARMFSA-N 3 2 207.321 -0.253 20 0 BBADLP C([N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663492901 411670797 /nfs/dbraw/zinc/67/07/97/411670797.db2.gz DOVAXJXUINSNHM-KXNHARMFSA-N 3 2 207.321 -0.253 20 0 BBADLP C([N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663492903 411671425 /nfs/dbraw/zinc/67/14/25/411671425.db2.gz DOVAXJXUINSNHM-WHOHXGKFSA-N 3 2 207.321 -0.253 20 0 BBADLP C([N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663492903 411671422 /nfs/dbraw/zinc/67/14/22/411671422.db2.gz DOVAXJXUINSNHM-WHOHXGKFSA-N 3 2 207.321 -0.253 20 0 BBADLP COC[C@]1(C[NH2+]C[C@@]23C[C@@H]2C[NH2+]C3)CCC[NH2+]1 ZINC000663496424 488045649 /nfs/dbraw/zinc/04/56/49/488045649.db2.gz GDWCYIXNOVIASD-FRRDWIJNSA-N 3 2 239.363 -0.046 20 0 BBADLP COC[C@]1(C[NH2+]C[C@]23C[C@H]2C[NH2+]C3)CCC[NH2+]1 ZINC000663496429 488045941 /nfs/dbraw/zinc/04/59/41/488045941.db2.gz GDWCYIXNOVIASD-YNEHKIRRSA-N 3 2 239.363 -0.046 20 0 BBADLP C([NH2+]C[C@]12C[C@H]1C[NH2+]C2)[C@H]1C[NH2+]CCCO1 ZINC000663497171 410276476 /nfs/dbraw/zinc/27/64/76/410276476.db2.gz LCORIZUGMKVTPQ-QJPTWQEYSA-N 3 2 225.336 -0.436 20 0 BBADLP C([NH2+]C[C@@]12C[C@@H]1C[NH2+]C2)[C@H]1C[NH2+]CCCO1 ZINC000663497173 410275582 /nfs/dbraw/zinc/27/55/82/410275582.db2.gz LCORIZUGMKVTPQ-UTUOFQBUSA-N 3 2 225.336 -0.436 20 0 BBADLP CCO[C@@H]1C[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C[C@H]1C[NH3+] ZINC000663498034 410276297 /nfs/dbraw/zinc/27/62/97/410276297.db2.gz QQZMMTKGWNVZSV-LPWJVIDDSA-N 3 2 239.363 -0.109 20 0 BBADLP CCO[C@@H]1C[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C[C@H]1C[NH3+] ZINC000663498034 410276290 /nfs/dbraw/zinc/27/62/90/410276290.db2.gz QQZMMTKGWNVZSV-LPWJVIDDSA-N 3 2 239.363 -0.109 20 0 BBADLP CCO[C@@H]1C[N@@H+](C[C@]23C[C@H]2C[NH2+]C3)C[C@H]1C[NH3+] ZINC000663498036 410276269 /nfs/dbraw/zinc/27/62/69/410276269.db2.gz QQZMMTKGWNVZSV-YVECIDJPSA-N 3 2 239.363 -0.109 20 0 BBADLP CCO[C@@H]1C[N@H+](C[C@]23C[C@H]2C[NH2+]C3)C[C@H]1C[NH3+] ZINC000663498036 410276263 /nfs/dbraw/zinc/27/62/63/410276263.db2.gz QQZMMTKGWNVZSV-YVECIDJPSA-N 3 2 239.363 -0.109 20 0 BBADLP C([NH2+]CC12CC(C1)C[NH2+]2)[C@]12C[C@H]1C[NH2+]C2 ZINC000663499656 411683181 /nfs/dbraw/zinc/68/31/81/411683181.db2.gz FPPJRKYGMCRTDF-LVFLEHKBSA-N 3 2 207.321 -0.063 20 0 BBADLP C([NH2+]CC12CC(C1)C[NH2+]2)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663499657 488047656 /nfs/dbraw/zinc/04/76/56/488047656.db2.gz FPPJRKYGMCRTDF-UPOSSJBDSA-N 3 2 207.321 -0.063 20 0 BBADLP C([NH2+]C[C@]12C[C@H]1C[NH2+]C2)[C@@H]1C[NH2+]CCO1 ZINC000663500194 411683806 /nfs/dbraw/zinc/68/38/06/411683806.db2.gz YVYOAWWFDPDLHI-GARJFASQSA-N 3 2 211.309 -0.826 20 0 BBADLP C([NH2+]C[C@@]12C[C@@H]1C[NH2+]C2)[C@@H]1C[NH2+]CCO1 ZINC000663500196 411683544 /nfs/dbraw/zinc/68/35/44/411683544.db2.gz YVYOAWWFDPDLHI-VWYCJHECSA-N 3 2 211.309 -0.826 20 0 BBADLP COC[C@@H](C)C[N@H+]1CCOC2(C[NH2+]C2)C1 ZINC000663510855 411692191 /nfs/dbraw/zinc/69/21/91/411692191.db2.gz SFGNCKYALGLCMY-JTQLQIEISA-N 2 2 214.309 -0.057 20 0 BBADLP COC[C@@H](C)C[N@@H+]1CCOC2(C[NH2+]C2)C1 ZINC000663510855 411692185 /nfs/dbraw/zinc/69/21/85/411692185.db2.gz SFGNCKYALGLCMY-JTQLQIEISA-N 2 2 214.309 -0.057 20 0 BBADLP COC[C@H](C)C[N@H+]1CCOC2(C[NH2+]C2)C1 ZINC000663510856 411693693 /nfs/dbraw/zinc/69/36/93/411693693.db2.gz SFGNCKYALGLCMY-SNVBAGLBSA-N 2 2 214.309 -0.057 20 0 BBADLP COC[C@H](C)C[N@@H+]1CCOC2(C[NH2+]C2)C1 ZINC000663510856 411693690 /nfs/dbraw/zinc/69/36/90/411693690.db2.gz SFGNCKYALGLCMY-SNVBAGLBSA-N 2 2 214.309 -0.057 20 0 BBADLP Cn1c[nH+]cc1CN1CCOC2(C[NH2+]C2)C1 ZINC000663510987 411692376 /nfs/dbraw/zinc/69/23/76/411692376.db2.gz UFAYCLMJBHFSST-UHFFFAOYSA-N 2 2 222.292 -0.406 20 0 BBADLP C(C1CC[NH2+]CC1)[N@H+]1CCOC2(C[NH2+]C2)C1 ZINC000663512409 411695068 /nfs/dbraw/zinc/69/50/68/411695068.db2.gz LBXJYLMXWBOBJU-UHFFFAOYSA-N 3 2 225.336 -0.340 20 0 BBADLP C(C1CC[NH2+]CC1)[N@@H+]1CCOC2(C[NH2+]C2)C1 ZINC000663512409 411695065 /nfs/dbraw/zinc/69/50/65/411695065.db2.gz LBXJYLMXWBOBJU-UHFFFAOYSA-N 3 2 225.336 -0.340 20 0 BBADLP Cn1cc[nH+]c1CN1CCOC2(C[NH2+]C2)C1 ZINC000663513087 411694946 /nfs/dbraw/zinc/69/49/46/411694946.db2.gz RNEPSTCAWUOZMK-UHFFFAOYSA-N 2 2 222.292 -0.406 20 0 BBADLP Cn1[nH]cnc1=NCC[N@@H+](C)CCC[NH+](C)C ZINC000664246286 411896782 /nfs/dbraw/zinc/89/67/82/411896782.db2.gz XXRVPTXSPAITRM-UHFFFAOYSA-N 2 2 240.355 -0.468 20 0 BBADLP Cn1[nH]cnc1=NCC[N@H+](C)CCC[NH+](C)C ZINC000664246286 411896775 /nfs/dbraw/zinc/89/67/75/411896775.db2.gz XXRVPTXSPAITRM-UHFFFAOYSA-N 2 2 240.355 -0.468 20 0 BBADLP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665049022 412068252 /nfs/dbraw/zinc/06/82/52/412068252.db2.gz ZOLNQFCVIGMNGV-AXFHLTTASA-N 2 2 241.335 -0.609 20 0 BBADLP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665049022 412068249 /nfs/dbraw/zinc/06/82/49/412068249.db2.gz ZOLNQFCVIGMNGV-AXFHLTTASA-N 2 2 241.335 -0.609 20 0 BBADLP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665049022 412068246 /nfs/dbraw/zinc/06/82/46/412068246.db2.gz ZOLNQFCVIGMNGV-AXFHLTTASA-N 2 2 241.335 -0.609 20 0 BBADLP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665049022 412068242 /nfs/dbraw/zinc/06/82/42/412068242.db2.gz ZOLNQFCVIGMNGV-AXFHLTTASA-N 2 2 241.335 -0.609 20 0 BBADLP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665049024 412068192 /nfs/dbraw/zinc/06/81/92/412068192.db2.gz ZOLNQFCVIGMNGV-MXWKQRLJSA-N 2 2 241.335 -0.609 20 0 BBADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665049024 412068187 /nfs/dbraw/zinc/06/81/87/412068187.db2.gz ZOLNQFCVIGMNGV-MXWKQRLJSA-N 2 2 241.335 -0.609 20 0 BBADLP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665049024 412068183 /nfs/dbraw/zinc/06/81/83/412068183.db2.gz ZOLNQFCVIGMNGV-MXWKQRLJSA-N 2 2 241.335 -0.609 20 0 BBADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665049024 412068178 /nfs/dbraw/zinc/06/81/78/412068178.db2.gz ZOLNQFCVIGMNGV-MXWKQRLJSA-N 2 2 241.335 -0.609 20 0 BBADLP C[NH+](C)C1(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000665059151 412074270 /nfs/dbraw/zinc/07/42/70/412074270.db2.gz RYEKIGRZUDRZJE-UHFFFAOYSA-N 2 2 211.309 -0.145 20 0 BBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCNC1=O ZINC000665228994 412165179 /nfs/dbraw/zinc/16/51/79/412165179.db2.gz NFZPYHMEJYJDPG-BBBLOLIVSA-N 2 2 227.308 -0.769 20 0 BBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCNC1=O ZINC000665228997 412165020 /nfs/dbraw/zinc/16/50/20/412165020.db2.gz NFZPYHMEJYJDPG-UTLUCORTSA-N 2 2 227.308 -0.769 20 0 BBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C/C=C\CO ZINC000665239176 412180817 /nfs/dbraw/zinc/18/08/17/412180817.db2.gz NHXWMLNHBCBKLM-LVUHIJSRSA-N 2 2 214.309 -0.109 20 0 BBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C/C=C/CO ZINC000665239177 412179819 /nfs/dbraw/zinc/17/98/19/412179819.db2.gz NHXWMLNHBCBKLM-NTYHVHHESA-N 2 2 214.309 -0.109 20 0 BBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C/C=C\CO ZINC000665239178 412180485 /nfs/dbraw/zinc/18/04/85/412180485.db2.gz NHXWMLNHBCBKLM-UZAOFVRNSA-N 2 2 214.309 -0.109 20 0 BBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C/C=C/CO ZINC000665239179 412181078 /nfs/dbraw/zinc/18/10/78/412181078.db2.gz NHXWMLNHBCBKLM-WUNPDAOYSA-N 2 2 214.309 -0.109 20 0 BBADLP OC/C=C/C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000665239647 412181600 /nfs/dbraw/zinc/18/16/00/412181600.db2.gz WKYAFRFNCZZNSQ-FGXISPTISA-N 2 2 226.320 -0.109 20 0 BBADLP OC/C=C\C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000665239648 412180267 /nfs/dbraw/zinc/18/02/67/412180267.db2.gz WKYAFRFNCZZNSQ-JZIZGNRHSA-N 2 2 226.320 -0.109 20 0 BBADLP OC/C=C/C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000665239649 412181420 /nfs/dbraw/zinc/18/14/20/412181420.db2.gz WKYAFRFNCZZNSQ-NUYITTKVSA-N 2 2 226.320 -0.109 20 0 BBADLP OC/C=C\C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000665239650 412181487 /nfs/dbraw/zinc/18/14/87/412181487.db2.gz WKYAFRFNCZZNSQ-YSPFUZRBSA-N 2 2 226.320 -0.109 20 0 BBADLP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[NH2+]C1 ZINC000665241666 412185084 /nfs/dbraw/zinc/18/50/84/412185084.db2.gz VQCWKVHQWBONRG-UWVGGRQHSA-N 3 2 201.314 -0.308 20 0 BBADLP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CC[NH2+]C1 ZINC000665241667 412185340 /nfs/dbraw/zinc/18/53/40/412185340.db2.gz VQCWKVHQWBONRG-VHSXEESVSA-N 3 2 201.314 -0.308 20 0 BBADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000665274192 412217278 /nfs/dbraw/zinc/21/72/78/412217278.db2.gz LOTSMWMATZEIKW-GUBZILKMSA-N 2 2 211.309 -0.147 20 0 BBADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000665274193 412216740 /nfs/dbraw/zinc/21/67/40/412216740.db2.gz LOTSMWMATZEIKW-KXUCPTDWSA-N 2 2 211.309 -0.147 20 0 BBADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000665274194 412218101 /nfs/dbraw/zinc/21/81/01/412218101.db2.gz LOTSMWMATZEIKW-LPEHRKFASA-N 2 2 211.309 -0.147 20 0 BBADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000665274195 412215914 /nfs/dbraw/zinc/21/59/14/412215914.db2.gz LOTSMWMATZEIKW-UTLUCORTSA-N 2 2 211.309 -0.147 20 0 BBADLP O=S1(=O)CCC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000665277475 412221764 /nfs/dbraw/zinc/22/17/64/412221764.db2.gz CCDAKDRDZNTMIY-HSOILSAZSA-N 2 2 244.360 -0.095 20 0 BBADLP O=S1(=O)CCC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000665277476 412220288 /nfs/dbraw/zinc/22/02/88/412220288.db2.gz CCDAKDRDZNTMIY-YVNMAJEFSA-N 2 2 244.360 -0.095 20 0 BBADLP C[C@@H](CS(C)(=O)=O)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665278100 412221866 /nfs/dbraw/zinc/22/18/66/412221866.db2.gz VDLZWMQTRUFWEU-IDKOKCKLSA-N 2 2 232.349 -0.239 20 0 BBADLP C[C@H](CS(C)(=O)=O)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665278101 412221167 /nfs/dbraw/zinc/22/11/67/412221167.db2.gz VDLZWMQTRUFWEU-XNWIYYODSA-N 2 2 232.349 -0.239 20 0 BBADLP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665294383 412238975 /nfs/dbraw/zinc/23/89/75/412238975.db2.gz NPUHKFONTFFULL-HTQZYQBOSA-N 3 2 239.323 -0.144 20 0 BBADLP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665294384 412238644 /nfs/dbraw/zinc/23/86/44/412238644.db2.gz NPUHKFONTFFULL-JGVFFNPUSA-N 3 2 239.323 -0.144 20 0 BBADLP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665294385 412238818 /nfs/dbraw/zinc/23/88/18/412238818.db2.gz NPUHKFONTFFULL-SFYZADRCSA-N 3 2 239.323 -0.144 20 0 BBADLP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665294386 412238805 /nfs/dbraw/zinc/23/88/05/412238805.db2.gz NPUHKFONTFFULL-YUMQZZPRSA-N 3 2 239.323 -0.144 20 0 BBADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000665296203 412242917 /nfs/dbraw/zinc/24/29/17/412242917.db2.gz OLUIRJKJVJCVKS-BDAKNGLRSA-N 2 2 220.338 -0.239 20 0 BBADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000665296204 412242900 /nfs/dbraw/zinc/24/29/00/412242900.db2.gz OLUIRJKJVJCVKS-DTWKUNHWSA-N 2 2 220.338 -0.239 20 0 BBADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000665296205 412242620 /nfs/dbraw/zinc/24/26/20/412242620.db2.gz OLUIRJKJVJCVKS-IUCAKERBSA-N 2 2 220.338 -0.239 20 0 BBADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000665296206 412243448 /nfs/dbraw/zinc/24/34/48/412243448.db2.gz OLUIRJKJVJCVKS-RKDXNWHRSA-N 2 2 220.338 -0.239 20 0 BBADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000665298177 412246003 /nfs/dbraw/zinc/24/60/03/412246003.db2.gz TUOKWOMCGNYBTE-LNFKQOIKSA-N 3 2 215.341 -0.064 20 0 BBADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000665298178 412246234 /nfs/dbraw/zinc/24/62/34/412246234.db2.gz TUOKWOMCGNYBTE-UKKRHICBSA-N 3 2 215.341 -0.064 20 0 BBADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000665298179 412246973 /nfs/dbraw/zinc/24/69/73/412246973.db2.gz TUOKWOMCGNYBTE-XWLWVQCSSA-N 3 2 215.341 -0.064 20 0 BBADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000665298180 412244074 /nfs/dbraw/zinc/24/40/74/412244074.db2.gz TUOKWOMCGNYBTE-ZRUFSTJUSA-N 3 2 215.341 -0.064 20 0 BBADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCNC1=O ZINC000665299448 412247937 /nfs/dbraw/zinc/24/79/37/412247937.db2.gz NFZPYHMEJYJDPG-AEJSXWLSSA-N 2 2 227.308 -0.769 20 0 BBADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCNC1=O ZINC000665299449 412247552 /nfs/dbraw/zinc/24/75/52/412247552.db2.gz NFZPYHMEJYJDPG-GUBZILKMSA-N 2 2 227.308 -0.769 20 0 BBADLP C[NH+](C)CCNc1nc[nH+]c2c1OCCN2 ZINC000665688642 487730449 /nfs/dbraw/zinc/73/04/49/487730449.db2.gz BKYAGHGCSLLDQM-UHFFFAOYSA-N 2 2 223.280 -0.633 20 0 BBADLP C[N@@H+](CCNc1nc[nH+]c2c1OCCN2)C1CC1 ZINC000665694382 487733229 /nfs/dbraw/zinc/73/32/29/487733229.db2.gz DUBKMZKWWXXOGO-UHFFFAOYSA-N 2 2 249.318 -0.101 20 0 BBADLP C[N@H+](CCNc1nc[nH+]c2c1OCCN2)C1CC1 ZINC000665694382 487733224 /nfs/dbraw/zinc/73/32/24/487733224.db2.gz DUBKMZKWWXXOGO-UHFFFAOYSA-N 2 2 249.318 -0.101 20 0 BBADLP C[NH+](C)C1(C(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000666190573 487753498 /nfs/dbraw/zinc/75/34/98/487753498.db2.gz QZJHKHWWKYPNQG-UHFFFAOYSA-N 2 2 241.335 -0.783 20 0 BBADLP Cc1[nH+]cc(CN2CC[NH+](CCO)CC2)n1C ZINC000667461715 487560504 /nfs/dbraw/zinc/56/05/04/487560504.db2.gz LBBLOPJQBGMATE-UHFFFAOYSA-N 2 2 238.335 -0.162 20 0 BBADLP C[NH+](C)C1(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000667606149 488058619 /nfs/dbraw/zinc/05/86/19/488058619.db2.gz XXNLLHVHHSGHAB-JTQLQIEISA-N 2 2 241.335 -0.473 20 0 BBADLP C[NH+](C)C1(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000667606149 488058614 /nfs/dbraw/zinc/05/86/14/488058614.db2.gz XXNLLHVHHSGHAB-JTQLQIEISA-N 2 2 241.335 -0.473 20 0 BBADLP C[NH+](C)C1(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000667606150 488058132 /nfs/dbraw/zinc/05/81/32/488058132.db2.gz XXNLLHVHHSGHAB-SNVBAGLBSA-N 2 2 241.335 -0.473 20 0 BBADLP C[NH+](C)C1(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000667606150 488058128 /nfs/dbraw/zinc/05/81/28/488058128.db2.gz XXNLLHVHHSGHAB-SNVBAGLBSA-N 2 2 241.335 -0.473 20 0 BBADLP Cc1[nH+]cc(C[N@@H+](CCO)CCCO)n1C ZINC000667619264 488060894 /nfs/dbraw/zinc/06/08/94/488060894.db2.gz XYXPRTSUTRRPQU-UHFFFAOYSA-N 2 2 227.308 -0.095 20 0 BBADLP Cc1[nH+]cc(C[N@H+](CCO)CCCO)n1C ZINC000667619264 488060893 /nfs/dbraw/zinc/06/08/93/488060893.db2.gz XYXPRTSUTRRPQU-UHFFFAOYSA-N 2 2 227.308 -0.095 20 0 BBADLP Cc1[nH+]cc(CN(CCO)CCCO)n1C ZINC000667619264 488060890 /nfs/dbraw/zinc/06/08/90/488060890.db2.gz XYXPRTSUTRRPQU-UHFFFAOYSA-N 2 2 227.308 -0.095 20 0 BBADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)n1C ZINC000667649377 488071466 /nfs/dbraw/zinc/07/14/66/488071466.db2.gz RPCBWGNDHSMXQD-AOOOYVTPSA-N 2 2 211.265 -0.734 20 0 BBADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)n1C ZINC000667649377 488071463 /nfs/dbraw/zinc/07/14/63/488071463.db2.gz RPCBWGNDHSMXQD-AOOOYVTPSA-N 2 2 211.265 -0.734 20 0 BBADLP O[C@@H]1C[N@H+](Cc2c[nH+]c3n2CCC3)C[C@@H]1O ZINC000667649590 488071615 /nfs/dbraw/zinc/07/16/15/488071615.db2.gz XOBVYBVTTAWREQ-AOOOYVTPSA-N 2 2 223.276 -0.633 20 0 BBADLP O[C@@H]1C[N@@H+](Cc2c[nH+]c3n2CCC3)C[C@@H]1O ZINC000667649590 488071613 /nfs/dbraw/zinc/07/16/13/488071613.db2.gz XOBVYBVTTAWREQ-AOOOYVTPSA-N 2 2 223.276 -0.633 20 0 BBADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)n1C ZINC000667691597 488088805 /nfs/dbraw/zinc/08/88/05/488088805.db2.gz GPEIIGTWFJLTAM-PHIMTYICSA-N 2 2 225.292 -0.344 20 0 BBADLP Cc1[nH+]cc(C[N@H+]2C[C@H](O)C[C@H](O)C2)n1C ZINC000667691597 488088801 /nfs/dbraw/zinc/08/88/01/488088801.db2.gz GPEIIGTWFJLTAM-PHIMTYICSA-N 2 2 225.292 -0.344 20 0 BBADLP O[C@@H]1C[C@H](O)C[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667691919 488089579 /nfs/dbraw/zinc/08/95/79/488089579.db2.gz SHCKOBCMDFFJKZ-PHIMTYICSA-N 2 2 237.303 -0.243 20 0 BBADLP O[C@@H]1C[C@H](O)C[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667691919 488089577 /nfs/dbraw/zinc/08/95/77/488089577.db2.gz SHCKOBCMDFFJKZ-PHIMTYICSA-N 2 2 237.303 -0.243 20 0 BBADLP Cc1[nH+]cc(C[N@H+]2CCOC[C@H](O)C2)n1C ZINC000668208051 487876494 /nfs/dbraw/zinc/87/64/94/487876494.db2.gz WRUGYDZFGQIEOC-LLVKDONJSA-N 2 2 225.292 -0.078 20 0 BBADLP Cc1[nH+]cc(C[N@@H+]2CCOC[C@H](O)C2)n1C ZINC000668208051 487876492 /nfs/dbraw/zinc/87/64/92/487876492.db2.gz WRUGYDZFGQIEOC-LLVKDONJSA-N 2 2 225.292 -0.078 20 0 BBADLP Cc1[nH+]cc(C[N@H+]2CCOC[C@@H](O)C2)n1C ZINC000668208052 487876522 /nfs/dbraw/zinc/87/65/22/487876522.db2.gz WRUGYDZFGQIEOC-NSHDSACASA-N 2 2 225.292 -0.078 20 0 BBADLP Cc1[nH+]cc(C[N@@H+]2CCOC[C@@H](O)C2)n1C ZINC000668208052 487876519 /nfs/dbraw/zinc/87/65/19/487876519.db2.gz WRUGYDZFGQIEOC-NSHDSACASA-N 2 2 225.292 -0.078 20 0 BBADLP CO[C@@H]1C[N@@H+](Cc2c[nH+]c(C)n2C)C[C@H]1O ZINC000668223594 487477160 /nfs/dbraw/zinc/47/71/60/487477160.db2.gz LILQCRUDKFJSKD-GHMZBOCLSA-N 2 2 225.292 -0.080 20 0 BBADLP CO[C@@H]1C[N@H+](Cc2c[nH+]c(C)n2C)C[C@H]1O ZINC000668223594 487477154 /nfs/dbraw/zinc/47/71/54/487477154.db2.gz LILQCRUDKFJSKD-GHMZBOCLSA-N 2 2 225.292 -0.080 20 0 BBADLP CNC(=O)C1C[NH+](Cc2c[nH+]c(C)n2C)C1 ZINC000668233130 487502798 /nfs/dbraw/zinc/50/27/98/487502798.db2.gz PBCFINVAEKJVNN-UHFFFAOYSA-N 2 2 222.292 -0.094 20 0 BBADLP C[C@@H]1C[N@@H+](CCN2C[C@@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000669688591 487652822 /nfs/dbraw/zinc/65/28/22/487652822.db2.gz PSZSTTCBTUJXLO-AGIUHOORSA-N 2 2 239.363 -0.142 20 0 BBADLP C[C@@H]1C[N@H+](CCN2C[C@@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000669688591 487652819 /nfs/dbraw/zinc/65/28/19/487652819.db2.gz PSZSTTCBTUJXLO-AGIUHOORSA-N 2 2 239.363 -0.142 20 0 BBADLP C[C@@H]1C[N@@H+](CCN2C[C@H]3C[NH2+]C[C@@H]3C2)CCO1 ZINC000669688592 487652803 /nfs/dbraw/zinc/65/28/03/487652803.db2.gz PSZSTTCBTUJXLO-JHJVBQTASA-N 2 2 239.363 -0.142 20 0 BBADLP C[C@@H]1C[N@H+](CCN2C[C@H]3C[NH2+]C[C@@H]3C2)CCO1 ZINC000669688592 487652797 /nfs/dbraw/zinc/65/27/97/487652797.db2.gz PSZSTTCBTUJXLO-JHJVBQTASA-N 2 2 239.363 -0.142 20 0 BBADLP NC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670987528 487564332 /nfs/dbraw/zinc/56/43/32/487564332.db2.gz WNLNDMROHYUXSJ-LLVKDONJSA-N 2 2 241.335 -0.342 20 0 BBADLP NC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670987528 487564326 /nfs/dbraw/zinc/56/43/26/487564326.db2.gz WNLNDMROHYUXSJ-LLVKDONJSA-N 2 2 241.335 -0.342 20 0 BBADLP NC(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670987529 487564296 /nfs/dbraw/zinc/56/42/96/487564296.db2.gz WNLNDMROHYUXSJ-NSHDSACASA-N 2 2 241.335 -0.342 20 0 BBADLP NC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670987529 487564291 /nfs/dbraw/zinc/56/42/91/487564291.db2.gz WNLNDMROHYUXSJ-NSHDSACASA-N 2 2 241.335 -0.342 20 0 BBADLP C[NH+](C)CC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672156948 487604103 /nfs/dbraw/zinc/60/41/03/487604103.db2.gz SRDMZFXJDCKUTO-SECBINFHSA-N 2 2 222.292 -0.124 20 0 BBADLP C[NH+](C)CC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672156949 487604122 /nfs/dbraw/zinc/60/41/22/487604122.db2.gz SRDMZFXJDCKUTO-VIFPVBQESA-N 2 2 222.292 -0.124 20 0 BBADLP Cn1c[nH+]cc1CC(=O)NCC[NH+]1CCC1 ZINC000673035153 488271274 /nfs/dbraw/zinc/27/12/74/488271274.db2.gz NYTODZJYAHJFKI-UHFFFAOYSA-N 2 2 222.292 -0.216 20 0 BBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH+](C)C ZINC000673637450 488299496 /nfs/dbraw/zinc/29/94/96/488299496.db2.gz LZIVIHSKFJBETR-SECBINFHSA-N 2 2 210.281 -0.051 20 0 BBADLP C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000673662439 488301449 /nfs/dbraw/zinc/30/14/49/488301449.db2.gz ORSOEQOOCIGDKQ-GHMZBOCLSA-N 2 2 241.335 -0.473 20 0 BBADLP C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000673662439 488301447 /nfs/dbraw/zinc/30/14/47/488301447.db2.gz ORSOEQOOCIGDKQ-GHMZBOCLSA-N 2 2 241.335 -0.473 20 0 BBADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000673662439 488301445 /nfs/dbraw/zinc/30/14/45/488301445.db2.gz ORSOEQOOCIGDKQ-GHMZBOCLSA-N 2 2 241.335 -0.473 20 0 BBADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000673662439 488301443 /nfs/dbraw/zinc/30/14/43/488301443.db2.gz ORSOEQOOCIGDKQ-GHMZBOCLSA-N 2 2 241.335 -0.473 20 0 BBADLP C[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000673662442 488301501 /nfs/dbraw/zinc/30/15/01/488301501.db2.gz ORSOEQOOCIGDKQ-MNOVXSKESA-N 2 2 241.335 -0.473 20 0 BBADLP C[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000673662442 488301500 /nfs/dbraw/zinc/30/15/00/488301500.db2.gz ORSOEQOOCIGDKQ-MNOVXSKESA-N 2 2 241.335 -0.473 20 0 BBADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000673662442 488301499 /nfs/dbraw/zinc/30/14/99/488301499.db2.gz ORSOEQOOCIGDKQ-MNOVXSKESA-N 2 2 241.335 -0.473 20 0 BBADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000673662442 488301498 /nfs/dbraw/zinc/30/14/98/488301498.db2.gz ORSOEQOOCIGDKQ-MNOVXSKESA-N 2 2 241.335 -0.473 20 0 BBADLP C[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000673662443 488301534 /nfs/dbraw/zinc/30/15/34/488301534.db2.gz ORSOEQOOCIGDKQ-QWRGUYRKSA-N 2 2 241.335 -0.473 20 0 BBADLP C[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000673662443 488301533 /nfs/dbraw/zinc/30/15/33/488301533.db2.gz ORSOEQOOCIGDKQ-QWRGUYRKSA-N 2 2 241.335 -0.473 20 0 BBADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000673662443 488301532 /nfs/dbraw/zinc/30/15/32/488301532.db2.gz ORSOEQOOCIGDKQ-QWRGUYRKSA-N 2 2 241.335 -0.473 20 0 BBADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000673662443 488301531 /nfs/dbraw/zinc/30/15/31/488301531.db2.gz ORSOEQOOCIGDKQ-QWRGUYRKSA-N 2 2 241.335 -0.473 20 0 BBADLP C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000673662445 488301582 /nfs/dbraw/zinc/30/15/82/488301582.db2.gz ORSOEQOOCIGDKQ-WDEREUQCSA-N 2 2 241.335 -0.473 20 0 BBADLP C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000673662445 488301579 /nfs/dbraw/zinc/30/15/79/488301579.db2.gz ORSOEQOOCIGDKQ-WDEREUQCSA-N 2 2 241.335 -0.473 20 0 BBADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000673662445 488301577 /nfs/dbraw/zinc/30/15/77/488301577.db2.gz ORSOEQOOCIGDKQ-WDEREUQCSA-N 2 2 241.335 -0.473 20 0 BBADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000673662445 488301574 /nfs/dbraw/zinc/30/15/74/488301574.db2.gz ORSOEQOOCIGDKQ-WDEREUQCSA-N 2 2 241.335 -0.473 20 0 BBADLP OCC[NH2+]C1CC[NH+](CCn2cccn2)CC1 ZINC000674006205 487497041 /nfs/dbraw/zinc/49/70/41/487497041.db2.gz RSVAKIOIOYOYLP-UHFFFAOYSA-N 2 2 238.335 -0.071 20 0 BBADLP CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000674029342 487502480 /nfs/dbraw/zinc/50/24/80/487502480.db2.gz NWJBDRMSMGEDPO-UHFFFAOYSA-N 2 2 228.340 -0.059 20 0 BBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)[NH+](C)C ZINC000674245462 487533603 /nfs/dbraw/zinc/53/36/03/487533603.db2.gz NIZFFMGLHINOBS-MNOVXSKESA-N 2 2 243.351 -0.227 20 0 BBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)[NH+](C)C ZINC000674245463 487533403 /nfs/dbraw/zinc/53/34/03/487533403.db2.gz NIZFFMGLHINOBS-QWRGUYRKSA-N 2 2 243.351 -0.227 20 0 BBADLP C[C@@H](C(=O)N(C)CC[NH+]1CCOCC1)[NH+](C)C ZINC000674246654 487535908 /nfs/dbraw/zinc/53/59/08/487535908.db2.gz OZKSPEYGSRVUSA-NSHDSACASA-N 2 2 243.351 -0.273 20 0 BBADLP C[C@@H](C(=O)NCCn1cc[nH+]c1)[NH+](C)C ZINC000674286687 487547148 /nfs/dbraw/zinc/54/71/48/487547148.db2.gz SHOJIBURLGQNKA-VIFPVBQESA-N 2 2 210.281 -0.051 20 0 BBADLP C[C@@H](C(=O)NCC[N@H+]1CCOC[C@H]1C)[NH+](C)C ZINC000674287418 487548430 /nfs/dbraw/zinc/54/84/30/487548430.db2.gz CABRGGVRHYFPDF-MNOVXSKESA-N 2 2 243.351 -0.227 20 0 BBADLP C[C@@H](C(=O)NCC[N@@H+]1CCOC[C@H]1C)[NH+](C)C ZINC000674287418 487548426 /nfs/dbraw/zinc/54/84/26/487548426.db2.gz CABRGGVRHYFPDF-MNOVXSKESA-N 2 2 243.351 -0.227 20 0 BBADLP C[C@@H](C(=O)NCC[N@H+]1CCOC[C@@H]1C)[NH+](C)C ZINC000674287419 487544669 /nfs/dbraw/zinc/54/46/69/487544669.db2.gz CABRGGVRHYFPDF-QWRGUYRKSA-N 2 2 243.351 -0.227 20 0 BBADLP C[C@@H](C(=O)NCC[N@@H+]1CCOC[C@@H]1C)[NH+](C)C ZINC000674287419 487544668 /nfs/dbraw/zinc/54/46/68/487544668.db2.gz CABRGGVRHYFPDF-QWRGUYRKSA-N 2 2 243.351 -0.227 20 0 BBADLP C[C@@H](C(=O)NCc1[nH+]ccn1C)[NH+](C)C ZINC000674287505 487536669 /nfs/dbraw/zinc/53/66/69/487536669.db2.gz QXSIMJQUWOHJHJ-QMMMGPOBSA-N 2 2 210.281 -0.014 20 0 BBADLP C[C@@H](C(=O)NCC[N@H+]1CCO[C@H](C)C1)[NH+](C)C ZINC000674287813 487548477 /nfs/dbraw/zinc/54/84/77/487548477.db2.gz FLUBRGJNOUUWOD-MNOVXSKESA-N 2 2 243.351 -0.227 20 0 BBADLP C[C@@H](C(=O)NCC[N@@H+]1CCO[C@H](C)C1)[NH+](C)C ZINC000674287813 487548475 /nfs/dbraw/zinc/54/84/75/487548475.db2.gz FLUBRGJNOUUWOD-MNOVXSKESA-N 2 2 243.351 -0.227 20 0 BBADLP C[C@@H](C(=O)NCC[N@H+]1CCO[C@@H](C)C1)[NH+](C)C ZINC000674287814 487544382 /nfs/dbraw/zinc/54/43/82/487544382.db2.gz FLUBRGJNOUUWOD-QWRGUYRKSA-N 2 2 243.351 -0.227 20 0 BBADLP C[C@@H](C(=O)NCC[N@@H+]1CCO[C@@H](C)C1)[NH+](C)C ZINC000674287814 487544375 /nfs/dbraw/zinc/54/43/75/487544375.db2.gz FLUBRGJNOUUWOD-QWRGUYRKSA-N 2 2 243.351 -0.227 20 0 BBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674288068 487548325 /nfs/dbraw/zinc/54/83/25/487548325.db2.gz VDSYVJGICDCZKW-MNOVXSKESA-N 2 2 243.351 -0.539 20 0 BBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674288069 487536551 /nfs/dbraw/zinc/53/65/51/487536551.db2.gz VDSYVJGICDCZKW-QWRGUYRKSA-N 2 2 243.351 -0.539 20 0 BBADLP COCC[NH+]1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674289553 487550632 /nfs/dbraw/zinc/55/06/32/487550632.db2.gz KSZLYSSOQCEMKR-NSHDSACASA-N 2 2 243.351 -0.273 20 0 BBADLP COC1CC[NH+](CC[NH2+][C@@H](C)CC(N)=O)CC1 ZINC000674376261 487568197 /nfs/dbraw/zinc/56/81/97/487568197.db2.gz PJZCGIYUAQXSTM-JTQLQIEISA-N 2 2 243.351 -0.049 20 0 BBADLP COC1CC[NH+](CC[NH2+][C@H](C)CC(N)=O)CC1 ZINC000674376262 487567852 /nfs/dbraw/zinc/56/78/52/487567852.db2.gz PJZCGIYUAQXSTM-SNVBAGLBSA-N 2 2 243.351 -0.049 20 0 BBADLP Cn1c[nH+]cc1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674498658 487588739 /nfs/dbraw/zinc/58/87/39/487588739.db2.gz SLTFJMUOTFUKQC-AOOOYVTPSA-N 2 2 211.265 -0.652 20 0 BBADLP Cn1c[nH+]cc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674498658 487588733 /nfs/dbraw/zinc/58/87/33/487588733.db2.gz SLTFJMUOTFUKQC-AOOOYVTPSA-N 2 2 211.265 -0.652 20 0 BBADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cc[nH]c2)CC1 ZINC000674756554 487613923 /nfs/dbraw/zinc/61/39/23/487613923.db2.gz FTVZONJAVQPFFQ-UHFFFAOYSA-N 2 2 236.319 -0.122 20 0 BBADLP C[C@@H](C(=O)N1CC[NH+](CCO)CC1)[NH+](C)C ZINC000674774458 487616743 /nfs/dbraw/zinc/61/67/43/487616743.db2.gz CDDWRZCWEHOJFF-JTQLQIEISA-N 2 2 229.324 -0.927 20 0 BBADLP CO[C@H](C)[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000675782394 487778720 /nfs/dbraw/zinc/77/87/20/487778720.db2.gz QHNSYAUOOAJIDV-GHMZBOCLSA-N 2 2 243.351 -0.227 20 0 BBADLP CO[C@@H](C)[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000675782395 487778277 /nfs/dbraw/zinc/77/82/77/487778277.db2.gz QHNSYAUOOAJIDV-MNOVXSKESA-N 2 2 243.351 -0.227 20 0 BBADLP CO[C@@H](C)[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000675782396 487778708 /nfs/dbraw/zinc/77/87/08/487778708.db2.gz QHNSYAUOOAJIDV-QWRGUYRKSA-N 2 2 243.351 -0.227 20 0 BBADLP CO[C@H](C)[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000675782397 487778672 /nfs/dbraw/zinc/77/86/72/487778672.db2.gz QHNSYAUOOAJIDV-WDEREUQCSA-N 2 2 243.351 -0.227 20 0 BBADLP Cc1nc(N(C)C)nc(N2C[C@H]3C[NH2+]C[C@H]3C2)[nH+]1 ZINC000676077540 487810499 /nfs/dbraw/zinc/81/04/99/487810499.db2.gz FVKPTFYDYJXKHE-AOOOYVTPSA-N 2 2 248.334 -0.098 20 0 BBADLP Cc1nc(N2C[C@H]3C[NH2+]C[C@H]3C2)nc(N(C)C)[nH+]1 ZINC000676077540 487810497 /nfs/dbraw/zinc/81/04/97/487810497.db2.gz FVKPTFYDYJXKHE-AOOOYVTPSA-N 2 2 248.334 -0.098 20 0 BBADLP Cc1nc(N(C)C)nc(N2C[C@H]3C[NH2+]C[C@@H]3C2)[nH+]1 ZINC000676077544 487810694 /nfs/dbraw/zinc/81/06/94/487810694.db2.gz FVKPTFYDYJXKHE-NXEZZACHSA-N 2 2 248.334 -0.098 20 0 BBADLP Cc1nc(N2C[C@H]3C[NH2+]C[C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000676077544 487810688 /nfs/dbraw/zinc/81/06/88/487810688.db2.gz FVKPTFYDYJXKHE-NXEZZACHSA-N 2 2 248.334 -0.098 20 0 BBADLP Cc1nc(N(C)C)nc(N2C[C@@H]3C[NH2+]C[C@H]3C2)[nH+]1 ZINC000676077545 487810603 /nfs/dbraw/zinc/81/06/03/487810603.db2.gz FVKPTFYDYJXKHE-UWVGGRQHSA-N 2 2 248.334 -0.098 20 0 BBADLP Cc1nc(N2C[C@@H]3C[NH2+]C[C@H]3C2)nc(N(C)C)[nH+]1 ZINC000676077545 487810599 /nfs/dbraw/zinc/81/05/99/487810599.db2.gz FVKPTFYDYJXKHE-UWVGGRQHSA-N 2 2 248.334 -0.098 20 0 BBADLP C[C@H](NC(=O)[C@H](C)[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676401644 487846153 /nfs/dbraw/zinc/84/61/53/487846153.db2.gz AMEBNNFCXYSSSG-DCAQKATOSA-N 2 2 243.351 -0.228 20 0 BBADLP C[C@H](NC(=O)[C@H](C)[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000676401644 487846148 /nfs/dbraw/zinc/84/61/48/487846148.db2.gz AMEBNNFCXYSSSG-DCAQKATOSA-N 2 2 243.351 -0.228 20 0 BBADLP C[C@H](NC(=O)[C@H](C)[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000676401645 487846518 /nfs/dbraw/zinc/84/65/18/487846518.db2.gz AMEBNNFCXYSSSG-GARJFASQSA-N 2 2 243.351 -0.228 20 0 BBADLP C[C@H](NC(=O)[C@H](C)[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000676401645 487846513 /nfs/dbraw/zinc/84/65/13/487846513.db2.gz AMEBNNFCXYSSSG-GARJFASQSA-N 2 2 243.351 -0.228 20 0 BBADLP C[C@@H](NC(=O)[C@H](C)[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000676401646 487846612 /nfs/dbraw/zinc/84/66/12/487846612.db2.gz AMEBNNFCXYSSSG-OUAUKWLOSA-N 2 2 243.351 -0.228 20 0 BBADLP C[C@@H](NC(=O)[C@H](C)[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000676401646 487846608 /nfs/dbraw/zinc/84/66/08/487846608.db2.gz AMEBNNFCXYSSSG-OUAUKWLOSA-N 2 2 243.351 -0.228 20 0 BBADLP C[C@@H](NC(=O)[C@H](C)[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676401647 487846579 /nfs/dbraw/zinc/84/65/79/487846579.db2.gz AMEBNNFCXYSSSG-VWYCJHECSA-N 2 2 243.351 -0.228 20 0 BBADLP C[C@@H](NC(=O)[C@H](C)[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000676401647 487846577 /nfs/dbraw/zinc/84/65/77/487846577.db2.gz AMEBNNFCXYSSSG-VWYCJHECSA-N 2 2 243.351 -0.228 20 0 BBADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000676574619 487876666 /nfs/dbraw/zinc/87/66/66/487876666.db2.gz QFPCBQIYENDQJH-NEPJUHHUSA-N 2 2 239.319 -0.133 20 0 BBADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000676574619 487876661 /nfs/dbraw/zinc/87/66/61/487876661.db2.gz QFPCBQIYENDQJH-NEPJUHHUSA-N 2 2 239.319 -0.133 20 0 BBADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000676574621 487876146 /nfs/dbraw/zinc/87/61/46/487876146.db2.gz QFPCBQIYENDQJH-NWDGAFQWSA-N 2 2 239.319 -0.133 20 0 BBADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000676574621 487876142 /nfs/dbraw/zinc/87/61/42/487876142.db2.gz QFPCBQIYENDQJH-NWDGAFQWSA-N 2 2 239.319 -0.133 20 0 BBADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000676574623 487876563 /nfs/dbraw/zinc/87/65/63/487876563.db2.gz QFPCBQIYENDQJH-RYUDHWBXSA-N 2 2 239.319 -0.133 20 0 BBADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000676574623 487876558 /nfs/dbraw/zinc/87/65/58/487876558.db2.gz QFPCBQIYENDQJH-RYUDHWBXSA-N 2 2 239.319 -0.133 20 0 BBADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000676574625 487876349 /nfs/dbraw/zinc/87/63/49/487876349.db2.gz QFPCBQIYENDQJH-VXGBXAGGSA-N 2 2 239.319 -0.133 20 0 BBADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000676574625 487876347 /nfs/dbraw/zinc/87/63/47/487876347.db2.gz QFPCBQIYENDQJH-VXGBXAGGSA-N 2 2 239.319 -0.133 20 0 BBADLP C[NH+]1CCN(CC(=O)NCC[NH+]2CCC2)CC1 ZINC000676948289 487948480 /nfs/dbraw/zinc/94/84/80/487948480.db2.gz DXIUAVRTTDNISJ-UHFFFAOYSA-N 2 2 240.351 -0.944 20 0 BBADLP Cn1cc[nH+]c1CNC(=O)NCC[NH+]1CCC1 ZINC000677014113 487955488 /nfs/dbraw/zinc/95/54/88/487955488.db2.gz VJPANLPHWSJBRG-UHFFFAOYSA-N 2 2 237.307 -0.075 20 0 BBADLP CCNC(=O)C[N@@H+](C)CCn1cc[nH+]c1 ZINC000677980584 488168046 /nfs/dbraw/zinc/16/80/46/488168046.db2.gz GGFBSFCLGPRFNM-UHFFFAOYSA-N 2 2 210.281 -0.049 20 0 BBADLP CCNC(=O)C[N@H+](C)CCn1cc[nH+]c1 ZINC000677980584 488168042 /nfs/dbraw/zinc/16/80/42/488168042.db2.gz GGFBSFCLGPRFNM-UHFFFAOYSA-N 2 2 210.281 -0.049 20 0 BBADLP O[C@@H]1C[C@H](O)C[N@H+](CCn2cc[nH+]c2)C1 ZINC000677984044 488168900 /nfs/dbraw/zinc/16/89/00/488168900.db2.gz JHPALZRNFVBSSU-AOOOYVTPSA-N 2 2 211.265 -0.689 20 0 BBADLP O[C@@H]1C[C@H](O)C[N@@H+](CCn2cc[nH+]c2)C1 ZINC000677984044 488168898 /nfs/dbraw/zinc/16/88/98/488168898.db2.gz JHPALZRNFVBSSU-AOOOYVTPSA-N 2 2 211.265 -0.689 20 0 BBADLP C[C@@H](CO)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000678520468 488264114 /nfs/dbraw/zinc/26/41/14/488264114.db2.gz VSSINZZRXALLAV-LLVKDONJSA-N 2 2 243.351 -0.679 20 0 BBADLP C[C@@H](CO)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000678520468 488264112 /nfs/dbraw/zinc/26/41/12/488264112.db2.gz VSSINZZRXALLAV-LLVKDONJSA-N 2 2 243.351 -0.679 20 0 BBADLP C[C@H](CO)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000678520470 488264514 /nfs/dbraw/zinc/26/45/14/488264514.db2.gz VSSINZZRXALLAV-NSHDSACASA-N 2 2 243.351 -0.679 20 0 BBADLP C[C@H](CO)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000678520470 488264512 /nfs/dbraw/zinc/26/45/12/488264512.db2.gz VSSINZZRXALLAV-NSHDSACASA-N 2 2 243.351 -0.679 20 0 BBADLP O[C@@H]1C[C@H](O)C[N@H+](CCCn2cc[nH+]c2)C1 ZINC000678884364 488293124 /nfs/dbraw/zinc/29/31/24/488293124.db2.gz GWMYMTDDGFTBGD-PHIMTYICSA-N 2 2 225.292 -0.299 20 0 BBADLP C[C@@H](C(=O)N1CC[N@@H+](CCO)[C@H](C)C1)[NH+](C)C ZINC000681762727 487858911 /nfs/dbraw/zinc/85/89/11/487858911.db2.gz RTJJCHPCSPUNJJ-MNOVXSKESA-N 2 2 243.351 -0.539 20 0 BBADLP C[C@@H](C(=O)N1CC[N@H+](CCO)[C@H](C)C1)[NH+](C)C ZINC000681762727 487858909 /nfs/dbraw/zinc/85/89/09/487858909.db2.gz RTJJCHPCSPUNJJ-MNOVXSKESA-N 2 2 243.351 -0.539 20 0 BBADLP C[C@@H](C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1)[NH+](C)C ZINC000681762729 487858764 /nfs/dbraw/zinc/85/87/64/487858764.db2.gz RTJJCHPCSPUNJJ-QWRGUYRKSA-N 2 2 243.351 -0.539 20 0 BBADLP C[C@@H](C(=O)N1CC[N@H+](CCO)[C@@H](C)C1)[NH+](C)C ZINC000681762729 487858761 /nfs/dbraw/zinc/85/87/61/487858761.db2.gz RTJJCHPCSPUNJJ-QWRGUYRKSA-N 2 2 243.351 -0.539 20 0 BBADLP C[NH+](C)CC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000682050593 487889536 /nfs/dbraw/zinc/88/95/36/487889536.db2.gz RDCFMUIOIABJDE-UHFFFAOYSA-N 2 2 243.351 -0.537 20 0 BBADLP C[NH+](C)CC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000682050593 487889534 /nfs/dbraw/zinc/88/95/34/487889534.db2.gz RDCFMUIOIABJDE-UHFFFAOYSA-N 2 2 243.351 -0.537 20 0 BBADLP C[C@@H](C(=O)NCC[N@H+]1CCCOCC1)[NH+](C)C ZINC000682171811 487925792 /nfs/dbraw/zinc/92/57/92/487925792.db2.gz VGKPBAVDMKAUIA-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP C[C@@H](C(=O)NCC[N@@H+]1CCCOCC1)[NH+](C)C ZINC000682171811 487925789 /nfs/dbraw/zinc/92/57/89/487925789.db2.gz VGKPBAVDMKAUIA-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP C[NH+](C)CC(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000682362310 487939256 /nfs/dbraw/zinc/93/92/56/487939256.db2.gz XAPFUNQASPMYHF-UHFFFAOYSA-N 2 2 243.351 -0.537 20 0 BBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702097665 712038513 /nfs/dbraw/zinc/03/85/13/712038513.db2.gz VUQSBKFPTVWRNQ-VHSKPIJISA-N 2 2 240.307 -0.889 20 0 BBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702097665 712038512 /nfs/dbraw/zinc/03/85/12/712038512.db2.gz VUQSBKFPTVWRNQ-VHSKPIJISA-N 2 2 240.307 -0.889 20 0 BBADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702119053 712039545 /nfs/dbraw/zinc/03/95/45/712039545.db2.gz COLWFKHINPNBIB-IQJOONFLSA-N 2 2 211.309 -0.208 20 0 BBADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702119053 712039544 /nfs/dbraw/zinc/03/95/44/712039544.db2.gz COLWFKHINPNBIB-IQJOONFLSA-N 2 2 211.309 -0.208 20 0 BBADLP CN(C)C(=O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702120411 712039451 /nfs/dbraw/zinc/03/94/51/712039451.db2.gz LIFGZLXMQYUBAF-GXSJLCMTSA-N 2 2 211.309 -0.384 20 0 BBADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702120411 712039450 /nfs/dbraw/zinc/03/94/50/712039450.db2.gz LIFGZLXMQYUBAF-GXSJLCMTSA-N 2 2 211.309 -0.384 20 0 BBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](N)C[NH+](C)C ZINC000702387365 712050083 /nfs/dbraw/zinc/05/00/83/712050083.db2.gz RJKZOVGNEZXRLU-UWVGGRQHSA-N 2 2 239.323 -0.723 20 0 BBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](N)C[NH+](C)C ZINC000702387369 712049899 /nfs/dbraw/zinc/04/98/99/712049899.db2.gz RJKZOVGNEZXRLU-ZJUUUORDSA-N 2 2 239.323 -0.723 20 0 BBADLP CCOC[C@H](O)C[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000702637101 712057878 /nfs/dbraw/zinc/05/78/78/712057878.db2.gz XIQVPNZYLDNUFY-IVZWLZJFSA-N 2 2 202.298 -0.195 20 0 BBADLP CCOC[C@H](O)C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000702637101 712057877 /nfs/dbraw/zinc/05/78/77/712057877.db2.gz XIQVPNZYLDNUFY-IVZWLZJFSA-N 2 2 202.298 -0.195 20 0 BBADLP CCOC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000702637102 712058089 /nfs/dbraw/zinc/05/80/89/712058089.db2.gz XIQVPNZYLDNUFY-KXUCPTDWSA-N 2 2 202.298 -0.195 20 0 BBADLP CCOC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000702637102 712058087 /nfs/dbraw/zinc/05/80/87/712058087.db2.gz XIQVPNZYLDNUFY-KXUCPTDWSA-N 2 2 202.298 -0.195 20 0 BBADLP COCCOC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000702639066 712058079 /nfs/dbraw/zinc/05/80/79/712058079.db2.gz QVTLCRPIXIUIRW-GARJFASQSA-N 2 2 232.324 -0.568 20 0 BBADLP COCCOC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000702639066 712058076 /nfs/dbraw/zinc/05/80/76/712058076.db2.gz QVTLCRPIXIUIRW-GARJFASQSA-N 2 2 232.324 -0.568 20 0 BBADLP COCCOC[C@H](O)C[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000702639067 712058206 /nfs/dbraw/zinc/05/82/06/712058206.db2.gz QVTLCRPIXIUIRW-GMTAPVOTSA-N 2 2 232.324 -0.568 20 0 BBADLP COCCOC[C@H](O)C[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000702639067 712058205 /nfs/dbraw/zinc/05/82/05/712058205.db2.gz QVTLCRPIXIUIRW-GMTAPVOTSA-N 2 2 232.324 -0.568 20 0 BBADLP COCCOC[C@H](O)C[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000702639068 712058178 /nfs/dbraw/zinc/05/81/78/712058178.db2.gz QVTLCRPIXIUIRW-HBNTYKKESA-N 2 2 232.324 -0.568 20 0 BBADLP COCCOC[C@H](O)C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000702639068 712058177 /nfs/dbraw/zinc/05/81/77/712058177.db2.gz QVTLCRPIXIUIRW-HBNTYKKESA-N 2 2 232.324 -0.568 20 0 BBADLP COCCOC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000702639069 712058195 /nfs/dbraw/zinc/05/81/95/712058195.db2.gz QVTLCRPIXIUIRW-OUAUKWLOSA-N 2 2 232.324 -0.568 20 0 BBADLP COCCOC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000702639069 712058192 /nfs/dbraw/zinc/05/81/92/712058192.db2.gz QVTLCRPIXIUIRW-OUAUKWLOSA-N 2 2 232.324 -0.568 20 0 BBADLP COC[C@H](C)OC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000702676179 712059532 /nfs/dbraw/zinc/05/95/32/712059532.db2.gz PDJLMAPVVSEGSP-FIQHERPVSA-N 2 2 246.351 -0.180 20 0 BBADLP COC[C@H](C)OC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000702676179 712059531 /nfs/dbraw/zinc/05/95/31/712059531.db2.gz PDJLMAPVVSEGSP-FIQHERPVSA-N 2 2 246.351 -0.180 20 0 BBADLP COC[C@H](C)OC[C@H](O)C[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000702676188 712059434 /nfs/dbraw/zinc/05/94/34/712059434.db2.gz PDJLMAPVVSEGSP-NNYUYHANSA-N 2 2 246.351 -0.180 20 0 BBADLP COC[C@H](C)OC[C@H](O)C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000702676188 712059431 /nfs/dbraw/zinc/05/94/31/712059431.db2.gz PDJLMAPVVSEGSP-NNYUYHANSA-N 2 2 246.351 -0.180 20 0 BBADLP COC[C@H](C)OC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000702676192 712059147 /nfs/dbraw/zinc/05/91/47/712059147.db2.gz PDJLMAPVVSEGSP-NOOOWODRSA-N 2 2 246.351 -0.180 20 0 BBADLP COC[C@H](C)OC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000702676192 712059146 /nfs/dbraw/zinc/05/91/46/712059146.db2.gz PDJLMAPVVSEGSP-NOOOWODRSA-N 2 2 246.351 -0.180 20 0 BBADLP COC[C@H](C)OC[C@H](O)C[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000702676198 712059095 /nfs/dbraw/zinc/05/90/95/712059095.db2.gz PDJLMAPVVSEGSP-WRWGMCAJSA-N 2 2 246.351 -0.180 20 0 BBADLP COC[C@H](C)OC[C@H](O)C[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000702676198 712059094 /nfs/dbraw/zinc/05/90/94/712059094.db2.gz PDJLMAPVVSEGSP-WRWGMCAJSA-N 2 2 246.351 -0.180 20 0 BBADLP C[C@]12C[NH2+]C[C@H]1C[N@H+]([C@H]1CCOC1=O)C2 ZINC000703583111 712079647 /nfs/dbraw/zinc/07/96/47/712079647.db2.gz IXKOYEHELGKBOJ-ATZCPNFKSA-N 2 2 210.277 -0.157 20 0 BBADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+]([C@H]1CCOC1=O)C2 ZINC000703583111 712079645 /nfs/dbraw/zinc/07/96/45/712079645.db2.gz IXKOYEHELGKBOJ-ATZCPNFKSA-N 2 2 210.277 -0.157 20 0 BBADLP C[C@]12C[NH2+]C[C@H]1C[N@H+]([C@@H]1CCOC1=O)C2 ZINC000703583122 712079901 /nfs/dbraw/zinc/07/99/01/712079901.db2.gz IXKOYEHELGKBOJ-IQJOONFLSA-N 2 2 210.277 -0.157 20 0 BBADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+]([C@@H]1CCOC1=O)C2 ZINC000703583122 712079898 /nfs/dbraw/zinc/07/98/98/712079898.db2.gz IXKOYEHELGKBOJ-IQJOONFLSA-N 2 2 210.277 -0.157 20 0 BBADLP C[NH+](C)C[C@H](N)C(=O)NCCCn1cc[nH+]c1 ZINC000705439687 712131476 /nfs/dbraw/zinc/13/14/76/712131476.db2.gz NQAIZLQGBSNMHA-JTQLQIEISA-N 2 2 239.323 -0.722 20 0 BBADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000705814928 712136715 /nfs/dbraw/zinc/13/67/15/712136715.db2.gz VYYGDPVZZCRFQI-SRVKXCTJSA-N 3 2 239.363 -0.088 20 0 BBADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000705814928 712136714 /nfs/dbraw/zinc/13/67/14/712136714.db2.gz VYYGDPVZZCRFQI-SRVKXCTJSA-N 3 2 239.363 -0.088 20 0 BBADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000705814930 712136462 /nfs/dbraw/zinc/13/64/62/712136462.db2.gz VYYGDPVZZCRFQI-TUAOUCFPSA-N 3 2 239.363 -0.088 20 0 BBADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000705814930 712136460 /nfs/dbraw/zinc/13/64/60/712136460.db2.gz VYYGDPVZZCRFQI-TUAOUCFPSA-N 3 2 239.363 -0.088 20 0 BBADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000705814933 712136363 /nfs/dbraw/zinc/13/63/63/712136363.db2.gz VYYGDPVZZCRFQI-UTUOFQBUSA-N 3 2 239.363 -0.088 20 0 BBADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000705814933 712136362 /nfs/dbraw/zinc/13/63/62/712136362.db2.gz VYYGDPVZZCRFQI-UTUOFQBUSA-N 3 2 239.363 -0.088 20 0 BBADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000705814938 712136609 /nfs/dbraw/zinc/13/66/09/712136609.db2.gz VYYGDPVZZCRFQI-WOPDTQHZSA-N 3 2 239.363 -0.088 20 0 BBADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000705814938 712136608 /nfs/dbraw/zinc/13/66/08/712136608.db2.gz VYYGDPVZZCRFQI-WOPDTQHZSA-N 3 2 239.363 -0.088 20 0 BBADLP C[NH2+]CCOCC[N@@H+](C)[C@@H]1CCOC1=O ZINC000706686412 712152567 /nfs/dbraw/zinc/15/25/67/712152567.db2.gz BJBAWSXROQJMEQ-SECBINFHSA-N 2 2 216.281 -0.530 20 0 BBADLP C[NH2+]CCOCC[N@H+](C)[C@@H]1CCOC1=O ZINC000706686412 712152566 /nfs/dbraw/zinc/15/25/66/712152566.db2.gz BJBAWSXROQJMEQ-SECBINFHSA-N 2 2 216.281 -0.530 20 0 BBADLP C[NH2+]CCOCC[N@@H+](C)[C@H]1CCOC1=O ZINC000706686414 712152686 /nfs/dbraw/zinc/15/26/86/712152686.db2.gz BJBAWSXROQJMEQ-VIFPVBQESA-N 2 2 216.281 -0.530 20 0 BBADLP C[NH2+]CCOCC[N@H+](C)[C@H]1CCOC1=O ZINC000706686414 712152685 /nfs/dbraw/zinc/15/26/85/712152685.db2.gz BJBAWSXROQJMEQ-VIFPVBQESA-N 2 2 216.281 -0.530 20 0 BBADLP CCS(=O)(=O)CC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708190096 712184084 /nfs/dbraw/zinc/18/40/84/712184084.db2.gz BYANJCWWYFKHDN-NXEZZACHSA-N 2 2 234.365 -0.052 20 0 BBADLP CCS(=O)(=O)CC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708190096 712184083 /nfs/dbraw/zinc/18/40/83/712184083.db2.gz BYANJCWWYFKHDN-NXEZZACHSA-N 2 2 234.365 -0.052 20 0 BBADLP Cn1c[nH+]cc1CN1CCC[C@@H]([NH2+]CCO)C1 ZINC000708566891 712213465 /nfs/dbraw/zinc/21/34/65/712213465.db2.gz AQMYYSMOHJQWKJ-LLVKDONJSA-N 2 2 238.335 -0.034 20 0 BBADLP Cn1c[nH+]cc1CN1CCC[C@H]([NH2+]CCO)C1 ZINC000708566895 712213433 /nfs/dbraw/zinc/21/34/33/712213433.db2.gz AQMYYSMOHJQWKJ-NSHDSACASA-N 2 2 238.335 -0.034 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@H]1C[NH3+] ZINC000708832127 712200014 /nfs/dbraw/zinc/20/00/14/712200014.db2.gz XFHVMTCNJORGSV-JHJVBQTASA-N 3 2 241.379 -0.030 20 0 BBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@H]1C[NH3+] ZINC000708832127 712200013 /nfs/dbraw/zinc/20/00/13/712200013.db2.gz XFHVMTCNJORGSV-JHJVBQTASA-N 3 2 241.379 -0.030 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@H]1C[NH3+] ZINC000708832128 712199891 /nfs/dbraw/zinc/19/98/91/712199891.db2.gz XFHVMTCNJORGSV-UPJWGTAASA-N 3 2 241.379 -0.030 20 0 BBADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@H]1C[NH3+] ZINC000708832128 712199890 /nfs/dbraw/zinc/19/98/90/712199890.db2.gz XFHVMTCNJORGSV-UPJWGTAASA-N 3 2 241.379 -0.030 20 0 BBADLP C[NH+](C)C1(C)CC[NH+](C[C@H](O)CO)CC1 ZINC000709852951 712229762 /nfs/dbraw/zinc/22/97/62/712229762.db2.gz RGLZEMGSSQBDHO-JTQLQIEISA-N 2 2 216.325 -0.244 20 0 BBADLP C[NH+](C)C1(C)CC[NH+](C[C@@H](O)CO)CC1 ZINC000709852954 712229810 /nfs/dbraw/zinc/22/98/10/712229810.db2.gz RGLZEMGSSQBDHO-SNVBAGLBSA-N 2 2 216.325 -0.244 20 0 BBADLP COC(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710593703 712263792 /nfs/dbraw/zinc/26/37/92/712263792.db2.gz BINWTXJYUKVZFY-UHFFFAOYSA-N 2 2 230.308 -0.452 20 0 BBADLP CCOC(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710594748 712264232 /nfs/dbraw/zinc/26/42/32/712264232.db2.gz FNGXANRYAWMTBD-UHFFFAOYSA-N 2 2 244.335 -0.062 20 0 BBADLP COC(=O)[C@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710596516 712263818 /nfs/dbraw/zinc/26/38/18/712263818.db2.gz NNJXHVDJFSJGHA-JTQLQIEISA-N 2 2 244.335 -0.064 20 0 BBADLP COC(=O)[C@@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710596520 712263812 /nfs/dbraw/zinc/26/38/12/712263812.db2.gz NNJXHVDJFSJGHA-SNVBAGLBSA-N 2 2 244.335 -0.064 20 0 BBADLP COC1(OC)CC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000710991497 712273054 /nfs/dbraw/zinc/27/30/54/712273054.db2.gz YRVWUWIJHHJQJT-GHMZBOCLSA-N 2 2 244.335 -0.206 20 0 BBADLP COC1(OC)CC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000710991497 712273052 /nfs/dbraw/zinc/27/30/52/712273052.db2.gz YRVWUWIJHHJQJT-GHMZBOCLSA-N 2 2 244.335 -0.206 20 0 BBADLP COC1(OC)CC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000710991506 712272764 /nfs/dbraw/zinc/27/27/64/712272764.db2.gz YRVWUWIJHHJQJT-MNOVXSKESA-N 2 2 244.335 -0.206 20 0 BBADLP COC1(OC)CC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000710991506 712272762 /nfs/dbraw/zinc/27/27/62/712272762.db2.gz YRVWUWIJHHJQJT-MNOVXSKESA-N 2 2 244.335 -0.206 20 0 BBADLP COC1(OC)CC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000710991508 712272720 /nfs/dbraw/zinc/27/27/20/712272720.db2.gz YRVWUWIJHHJQJT-QWRGUYRKSA-N 2 2 244.335 -0.206 20 0 BBADLP COC1(OC)CC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000710991508 712272719 /nfs/dbraw/zinc/27/27/19/712272719.db2.gz YRVWUWIJHHJQJT-QWRGUYRKSA-N 2 2 244.335 -0.206 20 0 BBADLP COC1(OC)CC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000710991510 712272933 /nfs/dbraw/zinc/27/29/33/712272933.db2.gz YRVWUWIJHHJQJT-WDEREUQCSA-N 2 2 244.335 -0.206 20 0 BBADLP COC1(OC)CC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000710991510 712272930 /nfs/dbraw/zinc/27/29/30/712272930.db2.gz YRVWUWIJHHJQJT-WDEREUQCSA-N 2 2 244.335 -0.206 20 0 BBADLP C[C@@H]1CCC[N@@H+](CCn2cnnn2)[C@@H]1C[NH3+] ZINC000711901726 712338754 /nfs/dbraw/zinc/33/87/54/712338754.db2.gz JVJFZDQYJMIKKK-NXEZZACHSA-N 2 2 224.312 -0.268 20 0 BBADLP C[C@@H]1CCC[N@H+](CCn2cnnn2)[C@@H]1C[NH3+] ZINC000711901726 712338752 /nfs/dbraw/zinc/33/87/52/712338752.db2.gz JVJFZDQYJMIKKK-NXEZZACHSA-N 2 2 224.312 -0.268 20 0 BBADLP [NH3+][C@H]1CCCCC[N@@H+](CCn2cnnn2)C1 ZINC000712550885 712444320 /nfs/dbraw/zinc/44/43/20/712444320.db2.gz GJROYCHYIBHJGQ-JTQLQIEISA-N 2 2 224.312 -0.124 20 0 BBADLP [NH3+][C@H]1CCCCC[N@H+](CCn2cnnn2)C1 ZINC000712550885 712444319 /nfs/dbraw/zinc/44/43/19/712444319.db2.gz GJROYCHYIBHJGQ-JTQLQIEISA-N 2 2 224.312 -0.124 20 0 BBADLP [NH3+][C@@H]1CCCCC[N@@H+](CCn2cnnn2)C1 ZINC000712550886 712444225 /nfs/dbraw/zinc/44/42/25/712444225.db2.gz GJROYCHYIBHJGQ-SNVBAGLBSA-N 2 2 224.312 -0.124 20 0 BBADLP [NH3+][C@@H]1CCCCC[N@H+](CCn2cnnn2)C1 ZINC000712550886 712444223 /nfs/dbraw/zinc/44/42/23/712444223.db2.gz GJROYCHYIBHJGQ-SNVBAGLBSA-N 2 2 224.312 -0.124 20 0 BBADLP C[C@H]1CCC[N@@H+](CCn2cnnn2)[C@H]1C[NH3+] ZINC000712551523 712444304 /nfs/dbraw/zinc/44/43/04/712444304.db2.gz JVJFZDQYJMIKKK-UWVGGRQHSA-N 2 2 224.312 -0.268 20 0 BBADLP C[C@H]1CCC[N@H+](CCn2cnnn2)[C@H]1C[NH3+] ZINC000712551523 712444303 /nfs/dbraw/zinc/44/43/03/712444303.db2.gz JVJFZDQYJMIKKK-UWVGGRQHSA-N 2 2 224.312 -0.268 20 0 BBADLP C[C@H]1CCC[N@@H+](CCn2cnnn2)[C@@H]1C[NH3+] ZINC000712551525 712444552 /nfs/dbraw/zinc/44/45/52/712444552.db2.gz JVJFZDQYJMIKKK-VHSXEESVSA-N 2 2 224.312 -0.268 20 0 BBADLP C[C@H]1CCC[N@H+](CCn2cnnn2)[C@@H]1C[NH3+] ZINC000712551525 712444550 /nfs/dbraw/zinc/44/45/50/712444550.db2.gz JVJFZDQYJMIKKK-VHSXEESVSA-N 2 2 224.312 -0.268 20 0 BBADLP C[C@@H]1CCC[N@@H+](CCn2cnnn2)[C@H]1C[NH3+] ZINC000712551526 712444450 /nfs/dbraw/zinc/44/44/50/712444450.db2.gz JVJFZDQYJMIKKK-ZJUUUORDSA-N 2 2 224.312 -0.268 20 0 BBADLP C[C@@H]1CCC[N@H+](CCn2cnnn2)[C@H]1C[NH3+] ZINC000712551526 712444449 /nfs/dbraw/zinc/44/44/49/712444449.db2.gz JVJFZDQYJMIKKK-ZJUUUORDSA-N 2 2 224.312 -0.268 20 0 BBADLP C[N@@H+](CCn1cnnn1)C1(C[NH3+])CCC1 ZINC000712552209 712445026 /nfs/dbraw/zinc/44/50/26/712445026.db2.gz MSYDOTKHYXORLQ-UHFFFAOYSA-N 2 2 210.285 -0.514 20 0 BBADLP C[N@H+](CCn1cnnn1)C1(C[NH3+])CCC1 ZINC000712552209 712445025 /nfs/dbraw/zinc/44/50/25/712445025.db2.gz MSYDOTKHYXORLQ-UHFFFAOYSA-N 2 2 210.285 -0.514 20 0 BBADLP C[C@@H]1CC[N@@H+](CCn2cnnn2)[C@H](C[NH3+])C1 ZINC000712552362 712445503 /nfs/dbraw/zinc/44/55/03/712445503.db2.gz ONWJEHMDCFULKX-ZJUUUORDSA-N 2 2 224.312 -0.268 20 0 BBADLP C[C@@H]1CC[N@H+](CCn2cnnn2)[C@H](C[NH3+])C1 ZINC000712552362 712445501 /nfs/dbraw/zinc/44/55/01/712445501.db2.gz ONWJEHMDCFULKX-ZJUUUORDSA-N 2 2 224.312 -0.268 20 0 BBADLP c1nnnn1CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000712553693 712445399 /nfs/dbraw/zinc/44/53/99/712445399.db2.gz ZLRSVEGMLFUDEB-GHMZBOCLSA-N 2 2 236.323 -0.253 20 0 BBADLP c1nnnn1CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000712553693 712445397 /nfs/dbraw/zinc/44/53/97/712445397.db2.gz ZLRSVEGMLFUDEB-GHMZBOCLSA-N 2 2 236.323 -0.253 20 0 BBADLP c1nnnn1CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000712553694 712444729 /nfs/dbraw/zinc/44/47/29/712444729.db2.gz ZLRSVEGMLFUDEB-MNOVXSKESA-N 2 2 236.323 -0.253 20 0 BBADLP c1nnnn1CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000712553694 712444728 /nfs/dbraw/zinc/44/47/28/712444728.db2.gz ZLRSVEGMLFUDEB-MNOVXSKESA-N 2 2 236.323 -0.253 20 0 BBADLP c1nnnn1CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000712553696 712445508 /nfs/dbraw/zinc/44/55/08/712445508.db2.gz ZLRSVEGMLFUDEB-QWRGUYRKSA-N 2 2 236.323 -0.253 20 0 BBADLP c1nnnn1CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000712553696 712445506 /nfs/dbraw/zinc/44/55/06/712445506.db2.gz ZLRSVEGMLFUDEB-QWRGUYRKSA-N 2 2 236.323 -0.253 20 0 BBADLP c1nnnn1CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000712553697 712444744 /nfs/dbraw/zinc/44/47/44/712444744.db2.gz ZLRSVEGMLFUDEB-WDEREUQCSA-N 2 2 236.323 -0.253 20 0 BBADLP c1nnnn1CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000712553697 712444743 /nfs/dbraw/zinc/44/47/43/712444743.db2.gz ZLRSVEGMLFUDEB-WDEREUQCSA-N 2 2 236.323 -0.253 20 0 BBADLP C[N@H+]1CC[C@@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000712554284 712445014 /nfs/dbraw/zinc/44/50/14/712445014.db2.gz APGCHOWTCHECQD-NEPJUHHUSA-N 2 2 227.352 -0.263 20 0 BBADLP C[N@@H+]1CC[C@@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000712554284 712445012 /nfs/dbraw/zinc/44/50/12/712445012.db2.gz APGCHOWTCHECQD-NEPJUHHUSA-N 2 2 227.352 -0.263 20 0 BBADLP CN1CC[C@@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000712554284 712445011 /nfs/dbraw/zinc/44/50/11/712445011.db2.gz APGCHOWTCHECQD-NEPJUHHUSA-N 2 2 227.352 -0.263 20 0 BBADLP C[N@H+]1CC[C@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000712554286 712444843 /nfs/dbraw/zinc/44/48/43/712444843.db2.gz APGCHOWTCHECQD-NWDGAFQWSA-N 2 2 227.352 -0.263 20 0 BBADLP C[N@@H+]1CC[C@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000712554286 712444842 /nfs/dbraw/zinc/44/48/42/712444842.db2.gz APGCHOWTCHECQD-NWDGAFQWSA-N 2 2 227.352 -0.263 20 0 BBADLP CN1CC[C@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000712554286 712444841 /nfs/dbraw/zinc/44/48/41/712444841.db2.gz APGCHOWTCHECQD-NWDGAFQWSA-N 2 2 227.352 -0.263 20 0 BBADLP C[N@H+]1CC[C@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000712554288 712445116 /nfs/dbraw/zinc/44/51/16/712445116.db2.gz APGCHOWTCHECQD-RYUDHWBXSA-N 2 2 227.352 -0.263 20 0 BBADLP C[N@@H+]1CC[C@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000712554288 712445115 /nfs/dbraw/zinc/44/51/15/712445115.db2.gz APGCHOWTCHECQD-RYUDHWBXSA-N 2 2 227.352 -0.263 20 0 BBADLP CN1CC[C@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000712554288 712445114 /nfs/dbraw/zinc/44/51/14/712445114.db2.gz APGCHOWTCHECQD-RYUDHWBXSA-N 2 2 227.352 -0.263 20 0 BBADLP C[N@H+]1CC[C@@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000712554289 712444918 /nfs/dbraw/zinc/44/49/18/712444918.db2.gz APGCHOWTCHECQD-VXGBXAGGSA-N 2 2 227.352 -0.263 20 0 BBADLP C[N@@H+]1CC[C@@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000712554289 712444917 /nfs/dbraw/zinc/44/49/17/712444917.db2.gz APGCHOWTCHECQD-VXGBXAGGSA-N 2 2 227.352 -0.263 20 0 BBADLP CN1CC[C@@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000712554289 712444916 /nfs/dbraw/zinc/44/49/16/712444916.db2.gz APGCHOWTCHECQD-VXGBXAGGSA-N 2 2 227.352 -0.263 20 0 BBADLP C[NH+](C[C@@H](O)CNC[C@H]1CC[N@H+]1C)C1CC1 ZINC000712554363 712444896 /nfs/dbraw/zinc/44/48/96/712444896.db2.gz BMUAWMQHMQUTHU-NEPJUHHUSA-N 2 2 227.352 -0.265 20 0 BBADLP C[NH+](C[C@@H](O)CNC[C@H]1CC[N@@H+]1C)C1CC1 ZINC000712554363 712444894 /nfs/dbraw/zinc/44/48/94/712444894.db2.gz BMUAWMQHMQUTHU-NEPJUHHUSA-N 2 2 227.352 -0.265 20 0 BBADLP C[N@@H+](C[C@@H](O)CNC[C@H]1CC[NH+]1C)C1CC1 ZINC000712554363 712444893 /nfs/dbraw/zinc/44/48/93/712444893.db2.gz BMUAWMQHMQUTHU-NEPJUHHUSA-N 2 2 227.352 -0.265 20 0 BBADLP C[N@H+](C[C@@H](O)CNC[C@H]1CC[NH+]1C)C1CC1 ZINC000712554363 712444891 /nfs/dbraw/zinc/44/48/91/712444891.db2.gz BMUAWMQHMQUTHU-NEPJUHHUSA-N 2 2 227.352 -0.265 20 0 BBADLP CN1CC[C@@H]1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000712554363 712444889 /nfs/dbraw/zinc/44/48/89/712444889.db2.gz BMUAWMQHMQUTHU-NEPJUHHUSA-N 2 2 227.352 -0.265 20 0 BBADLP CN1CC[C@@H]1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000712554363 712444888 /nfs/dbraw/zinc/44/48/88/712444888.db2.gz BMUAWMQHMQUTHU-NEPJUHHUSA-N 2 2 227.352 -0.265 20 0 BBADLP C[NH+](C[C@H](O)CNC[C@@H]1CC[N@H+]1C)C1CC1 ZINC000712554369 712444867 /nfs/dbraw/zinc/44/48/67/712444867.db2.gz BMUAWMQHMQUTHU-NWDGAFQWSA-N 2 2 227.352 -0.265 20 0 BBADLP C[NH+](C[C@H](O)CNC[C@@H]1CC[N@@H+]1C)C1CC1 ZINC000712554369 712444865 /nfs/dbraw/zinc/44/48/65/712444865.db2.gz BMUAWMQHMQUTHU-NWDGAFQWSA-N 2 2 227.352 -0.265 20 0 BBADLP C[N@@H+](C[C@H](O)CNC[C@@H]1CC[NH+]1C)C1CC1 ZINC000712554369 712444864 /nfs/dbraw/zinc/44/48/64/712444864.db2.gz BMUAWMQHMQUTHU-NWDGAFQWSA-N 2 2 227.352 -0.265 20 0 BBADLP C[N@H+](C[C@H](O)CNC[C@@H]1CC[NH+]1C)C1CC1 ZINC000712554369 712444863 /nfs/dbraw/zinc/44/48/63/712444863.db2.gz BMUAWMQHMQUTHU-NWDGAFQWSA-N 2 2 227.352 -0.265 20 0 BBADLP CN1CC[C@H]1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000712554369 712444861 /nfs/dbraw/zinc/44/48/61/712444861.db2.gz BMUAWMQHMQUTHU-NWDGAFQWSA-N 2 2 227.352 -0.265 20 0 BBADLP CN1CC[C@H]1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000712554369 712444860 /nfs/dbraw/zinc/44/48/60/712444860.db2.gz BMUAWMQHMQUTHU-NWDGAFQWSA-N 2 2 227.352 -0.265 20 0 BBADLP C[NH+](C[C@@H](O)CNC[C@@H]1CC[N@H+]1C)C1CC1 ZINC000712554371 712445184 /nfs/dbraw/zinc/44/51/84/712445184.db2.gz BMUAWMQHMQUTHU-RYUDHWBXSA-N 2 2 227.352 -0.265 20 0 BBADLP C[NH+](C[C@@H](O)CNC[C@@H]1CC[N@@H+]1C)C1CC1 ZINC000712554371 712445183 /nfs/dbraw/zinc/44/51/83/712445183.db2.gz BMUAWMQHMQUTHU-RYUDHWBXSA-N 2 2 227.352 -0.265 20 0 BBADLP C[N@@H+](C[C@@H](O)CNC[C@@H]1CC[NH+]1C)C1CC1 ZINC000712554371 712445181 /nfs/dbraw/zinc/44/51/81/712445181.db2.gz BMUAWMQHMQUTHU-RYUDHWBXSA-N 2 2 227.352 -0.265 20 0 BBADLP C[N@H+](C[C@@H](O)CNC[C@@H]1CC[NH+]1C)C1CC1 ZINC000712554371 712445179 /nfs/dbraw/zinc/44/51/79/712445179.db2.gz BMUAWMQHMQUTHU-RYUDHWBXSA-N 2 2 227.352 -0.265 20 0 BBADLP CN1CC[C@H]1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000712554371 712445178 /nfs/dbraw/zinc/44/51/78/712445178.db2.gz BMUAWMQHMQUTHU-RYUDHWBXSA-N 2 2 227.352 -0.265 20 0 BBADLP CN1CC[C@H]1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000712554371 712445177 /nfs/dbraw/zinc/44/51/77/712445177.db2.gz BMUAWMQHMQUTHU-RYUDHWBXSA-N 2 2 227.352 -0.265 20 0 BBADLP C[NH+](C[C@H](O)CNC[C@H]1CC[N@H+]1C)C1CC1 ZINC000712554372 712444818 /nfs/dbraw/zinc/44/48/18/712444818.db2.gz BMUAWMQHMQUTHU-VXGBXAGGSA-N 2 2 227.352 -0.265 20 0 BBADLP C[NH+](C[C@H](O)CNC[C@H]1CC[N@@H+]1C)C1CC1 ZINC000712554372 712444817 /nfs/dbraw/zinc/44/48/17/712444817.db2.gz BMUAWMQHMQUTHU-VXGBXAGGSA-N 2 2 227.352 -0.265 20 0 BBADLP C[N@@H+](C[C@H](O)CNC[C@H]1CC[NH+]1C)C1CC1 ZINC000712554372 712444815 /nfs/dbraw/zinc/44/48/15/712444815.db2.gz BMUAWMQHMQUTHU-VXGBXAGGSA-N 2 2 227.352 -0.265 20 0 BBADLP C[N@H+](C[C@H](O)CNC[C@H]1CC[NH+]1C)C1CC1 ZINC000712554372 712444814 /nfs/dbraw/zinc/44/48/14/712444814.db2.gz BMUAWMQHMQUTHU-VXGBXAGGSA-N 2 2 227.352 -0.265 20 0 BBADLP CN1CC[C@@H]1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000712554372 712444812 /nfs/dbraw/zinc/44/48/12/712444812.db2.gz BMUAWMQHMQUTHU-VXGBXAGGSA-N 2 2 227.352 -0.265 20 0 BBADLP CN1CC[C@@H]1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000712554372 712444811 /nfs/dbraw/zinc/44/48/11/712444811.db2.gz BMUAWMQHMQUTHU-VXGBXAGGSA-N 2 2 227.352 -0.265 20 0 BBADLP C[N@@H+](CCn1cnnn1)[C@H](C[NH3+])C1CC1 ZINC000712574789 712448163 /nfs/dbraw/zinc/44/81/63/712448163.db2.gz CPYZWXJMDIUVFH-SECBINFHSA-N 2 2 210.285 -0.658 20 0 BBADLP C[N@H+](CCn1cnnn1)[C@H](C[NH3+])C1CC1 ZINC000712574789 712448162 /nfs/dbraw/zinc/44/81/62/712448162.db2.gz CPYZWXJMDIUVFH-SECBINFHSA-N 2 2 210.285 -0.658 20 0 BBADLP C[N@@H+](CCn1cnnn1)[C@@H](C[NH3+])C1CC1 ZINC000712574790 712448205 /nfs/dbraw/zinc/44/82/05/712448205.db2.gz CPYZWXJMDIUVFH-VIFPVBQESA-N 2 2 210.285 -0.658 20 0 BBADLP C[N@H+](CCn1cnnn1)[C@@H](C[NH3+])C1CC1 ZINC000712574790 712448204 /nfs/dbraw/zinc/44/82/04/712448204.db2.gz CPYZWXJMDIUVFH-VIFPVBQESA-N 2 2 210.285 -0.658 20 0 BBADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCn1cnnn1 ZINC000712612588 712438049 /nfs/dbraw/zinc/43/80/49/712438049.db2.gz WEGBSIQKHJNLEO-NXEZZACHSA-N 2 2 224.312 -0.125 20 0 BBADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCn1cnnn1 ZINC000712612588 712438048 /nfs/dbraw/zinc/43/80/48/712438048.db2.gz WEGBSIQKHJNLEO-NXEZZACHSA-N 2 2 224.312 -0.125 20 0 BBADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCn1cnnn1 ZINC000712612589 712438101 /nfs/dbraw/zinc/43/81/01/712438101.db2.gz WEGBSIQKHJNLEO-UWVGGRQHSA-N 2 2 224.312 -0.125 20 0 BBADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCn1cnnn1 ZINC000712612589 712438100 /nfs/dbraw/zinc/43/81/00/712438100.db2.gz WEGBSIQKHJNLEO-UWVGGRQHSA-N 2 2 224.312 -0.125 20 0 BBADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCn1cnnn1 ZINC000712612590 712437829 /nfs/dbraw/zinc/43/78/29/712437829.db2.gz WEGBSIQKHJNLEO-VHSXEESVSA-N 2 2 224.312 -0.125 20 0 BBADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCn1cnnn1 ZINC000712612590 712437828 /nfs/dbraw/zinc/43/78/28/712437828.db2.gz WEGBSIQKHJNLEO-VHSXEESVSA-N 2 2 224.312 -0.125 20 0 BBADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCn1cnnn1 ZINC000712612591 712438085 /nfs/dbraw/zinc/43/80/85/712438085.db2.gz WEGBSIQKHJNLEO-ZJUUUORDSA-N 2 2 224.312 -0.125 20 0 BBADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCn1cnnn1 ZINC000712612591 712438084 /nfs/dbraw/zinc/43/80/84/712438084.db2.gz WEGBSIQKHJNLEO-ZJUUUORDSA-N 2 2 224.312 -0.125 20 0 BBADLP C[NH2+]C1CC[NH+](CCn2cnnn2)CC1 ZINC000712613065 712438097 /nfs/dbraw/zinc/43/80/97/712438097.db2.gz ZHDCMAJCLHICJT-UHFFFAOYSA-N 2 2 210.285 -0.643 20 0 BBADLP COC(=O)C1(O)C[NH+](CC2CC[NH+](C)CC2)C1 ZINC000714414286 712485619 /nfs/dbraw/zinc/48/56/19/712485619.db2.gz RPWFERIOKZHWSJ-UHFFFAOYSA-N 2 2 242.319 -0.452 20 0 BBADLP CCn1cc(C[N@@H+](C)CCOCC[NH3+])nn1 ZINC000714456343 712490320 /nfs/dbraw/zinc/49/03/20/712490320.db2.gz MKAJRWMHCDCCKH-UHFFFAOYSA-N 2 2 227.312 -0.295 20 0 BBADLP CCn1cc(C[N@H+](C)CCOCC[NH3+])nn1 ZINC000714456343 712490319 /nfs/dbraw/zinc/49/03/19/712490319.db2.gz MKAJRWMHCDCCKH-UHFFFAOYSA-N 2 2 227.312 -0.295 20 0 BBADLP CCn1cc(C[N@@H+](C)CCOCC[NH2+]C)nn1 ZINC000714457385 712490271 /nfs/dbraw/zinc/49/02/71/712490271.db2.gz OKCORBVGRVZGKF-UHFFFAOYSA-N 2 2 241.339 -0.034 20 0 BBADLP CCn1cc(C[N@H+](C)CCOCC[NH2+]C)nn1 ZINC000714457385 712490270 /nfs/dbraw/zinc/49/02/70/712490270.db2.gz OKCORBVGRVZGKF-UHFFFAOYSA-N 2 2 241.339 -0.034 20 0 BBADLP [NH3+]C[C@@H]1[C@H](C(=O)NCCn2cc[nH+]c2)C1(F)F ZINC000715169563 712513359 /nfs/dbraw/zinc/51/33/59/712513359.db2.gz DWKHAKCHXOBPQY-HTQZYQBOSA-N 2 2 244.245 -0.161 20 0 BBADLP COC[C@](C)(CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000716933889 712597147 /nfs/dbraw/zinc/59/71/47/712597147.db2.gz DBUYOHNORPXJNW-NEPJUHHUSA-N 2 2 246.351 -0.570 20 0 BBADLP COC[C@@](C)(CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000716933892 712597336 /nfs/dbraw/zinc/59/73/36/712597336.db2.gz DBUYOHNORPXJNW-NWDGAFQWSA-N 2 2 246.351 -0.570 20 0 BBADLP COC[C@](C)(CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000716933895 712597267 /nfs/dbraw/zinc/59/72/67/712597267.db2.gz DBUYOHNORPXJNW-RYUDHWBXSA-N 2 2 246.351 -0.570 20 0 BBADLP COC[C@@](C)(CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000716933898 712597231 /nfs/dbraw/zinc/59/72/31/712597231.db2.gz DBUYOHNORPXJNW-VXGBXAGGSA-N 2 2 246.351 -0.570 20 0 BBADLP COC1(OC)CC[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000717287262 712645257 /nfs/dbraw/zinc/64/52/57/712645257.db2.gz HDEORPCKKLTHOP-NXEZZACHSA-N 2 2 232.324 -0.350 20 0 BBADLP COC1(OC)CC[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000717287263 712645290 /nfs/dbraw/zinc/64/52/90/712645290.db2.gz HDEORPCKKLTHOP-UWVGGRQHSA-N 2 2 232.324 -0.350 20 0 BBADLP COC1(OC)CC[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000717287265 712645287 /nfs/dbraw/zinc/64/52/87/712645287.db2.gz HDEORPCKKLTHOP-VHSXEESVSA-N 2 2 232.324 -0.350 20 0 BBADLP COC1(OC)CC[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000717287267 712645264 /nfs/dbraw/zinc/64/52/64/712645264.db2.gz HDEORPCKKLTHOP-ZJUUUORDSA-N 2 2 232.324 -0.350 20 0 BBADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000717293823 712645403 /nfs/dbraw/zinc/64/54/03/712645403.db2.gz APVSKVCKVNLJJF-GMTAPVOTSA-N 3 2 227.352 -0.232 20 0 BBADLP C[NH+](C)C[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000717293825 712645407 /nfs/dbraw/zinc/64/54/07/712645407.db2.gz APVSKVCKVNLJJF-MXWKQRLJSA-N 3 2 227.352 -0.232 20 0 BBADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000717293827 712645442 /nfs/dbraw/zinc/64/54/42/712645442.db2.gz APVSKVCKVNLJJF-OUAUKWLOSA-N 3 2 227.352 -0.232 20 0 BBADLP C[NH+](C)C[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000717293829 712645427 /nfs/dbraw/zinc/64/54/27/712645427.db2.gz APVSKVCKVNLJJF-VWYCJHECSA-N 3 2 227.352 -0.232 20 0 BBADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@H](O)CO ZINC000717425797 711490665 /nfs/dbraw/zinc/49/06/65/711490665.db2.gz NISHMSBZSUNGIQ-AXFHLTTASA-N 2 2 214.309 -0.492 20 0 BBADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H](O)CO ZINC000717425797 711490663 /nfs/dbraw/zinc/49/06/63/711490663.db2.gz NISHMSBZSUNGIQ-AXFHLTTASA-N 2 2 214.309 -0.492 20 0 BBADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)CO ZINC000717425797 711490661 /nfs/dbraw/zinc/49/06/61/711490661.db2.gz NISHMSBZSUNGIQ-AXFHLTTASA-N 2 2 214.309 -0.492 20 0 BBADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)CO ZINC000717425797 711490660 /nfs/dbraw/zinc/49/06/60/711490660.db2.gz NISHMSBZSUNGIQ-AXFHLTTASA-N 2 2 214.309 -0.492 20 0 BBADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H](O)CO ZINC000717425799 712658179 /nfs/dbraw/zinc/65/81/79/712658179.db2.gz NISHMSBZSUNGIQ-HBNTYKKESA-N 2 2 214.309 -0.492 20 0 BBADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H](O)CO ZINC000717425799 712658178 /nfs/dbraw/zinc/65/81/78/712658178.db2.gz NISHMSBZSUNGIQ-HBNTYKKESA-N 2 2 214.309 -0.492 20 0 BBADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)CO ZINC000717425799 712658177 /nfs/dbraw/zinc/65/81/77/712658177.db2.gz NISHMSBZSUNGIQ-HBNTYKKESA-N 2 2 214.309 -0.492 20 0 BBADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)CO ZINC000717425799 712658176 /nfs/dbraw/zinc/65/81/76/712658176.db2.gz NISHMSBZSUNGIQ-HBNTYKKESA-N 2 2 214.309 -0.492 20 0 BBADLP CNC(=O)NC(=O)CC[N@@H+](CC[NH2+]C)C(C)C ZINC000720745537 712863369 /nfs/dbraw/zinc/86/33/69/712863369.db2.gz ADNPFDWOCBDRAN-UHFFFAOYSA-N 2 2 244.339 -0.238 20 0 BBADLP CNC(=O)NC(=O)CC[N@H+](CC[NH2+]C)C(C)C ZINC000720745537 712863368 /nfs/dbraw/zinc/86/33/68/712863368.db2.gz ADNPFDWOCBDRAN-UHFFFAOYSA-N 2 2 244.339 -0.238 20 0 BBADLP C[NH2+]CC[N@@H+](CCC(=O)NC(N)=O)C(C)C ZINC000720747157 712863299 /nfs/dbraw/zinc/86/32/99/712863299.db2.gz JFVQMRGWSDBWRH-UHFFFAOYSA-N 2 2 230.312 -0.499 20 0 BBADLP C[NH2+]CC[N@H+](CCC(=O)NC(N)=O)C(C)C ZINC000720747157 712863298 /nfs/dbraw/zinc/86/32/98/712863298.db2.gz JFVQMRGWSDBWRH-UHFFFAOYSA-N 2 2 230.312 -0.499 20 0 BBADLP C[NH2+]CC[N@@H+](C[C@H](O)COC)C(C)C ZINC000720776179 712864764 /nfs/dbraw/zinc/86/47/64/712864764.db2.gz URKXWNUSLZZLJV-JTQLQIEISA-N 2 2 204.314 -0.077 20 0 BBADLP C[NH2+]CC[N@H+](C[C@H](O)COC)C(C)C ZINC000720776179 712864763 /nfs/dbraw/zinc/86/47/63/712864763.db2.gz URKXWNUSLZZLJV-JTQLQIEISA-N 2 2 204.314 -0.077 20 0 BBADLP C[NH2+]CC[N@@H+](C[C@@H](O)COC)C(C)C ZINC000720776180 712864687 /nfs/dbraw/zinc/86/46/87/712864687.db2.gz URKXWNUSLZZLJV-SNVBAGLBSA-N 2 2 204.314 -0.077 20 0 BBADLP C[NH2+]CC[N@H+](C[C@@H](O)COC)C(C)C ZINC000720776180 712864686 /nfs/dbraw/zinc/86/46/86/712864686.db2.gz URKXWNUSLZZLJV-SNVBAGLBSA-N 2 2 204.314 -0.077 20 0 BBADLP CNC(=O)NC(=O)CC[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720802964 712866781 /nfs/dbraw/zinc/86/67/81/712866781.db2.gz HIWLOMRTWJASOD-MRVPVSSYSA-N 2 2 242.323 -0.499 20 0 BBADLP CNC(=O)NC(=O)CC[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720802964 712866780 /nfs/dbraw/zinc/86/67/80/712866780.db2.gz HIWLOMRTWJASOD-MRVPVSSYSA-N 2 2 242.323 -0.499 20 0 BBADLP CNC(=O)NC(=O)CC[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720802967 712867315 /nfs/dbraw/zinc/86/73/15/712867315.db2.gz HIWLOMRTWJASOD-QMMMGPOBSA-N 2 2 242.323 -0.499 20 0 BBADLP CNC(=O)NC(=O)CC[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720802967 712867314 /nfs/dbraw/zinc/86/73/14/712867314.db2.gz HIWLOMRTWJASOD-QMMMGPOBSA-N 2 2 242.323 -0.499 20 0 BBADLP COC[C@H](O)C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720804375 712867168 /nfs/dbraw/zinc/86/71/68/712867168.db2.gz KIEMHVHCJFPBHT-BDAKNGLRSA-N 2 2 202.298 -0.337 20 0 BBADLP COC[C@H](O)C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720804375 712867166 /nfs/dbraw/zinc/86/71/66/712867166.db2.gz KIEMHVHCJFPBHT-BDAKNGLRSA-N 2 2 202.298 -0.337 20 0 BBADLP COC[C@@H](O)C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720804377 712867260 /nfs/dbraw/zinc/86/72/60/712867260.db2.gz KIEMHVHCJFPBHT-DTWKUNHWSA-N 2 2 202.298 -0.337 20 0 BBADLP COC[C@@H](O)C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720804377 712867257 /nfs/dbraw/zinc/86/72/57/712867257.db2.gz KIEMHVHCJFPBHT-DTWKUNHWSA-N 2 2 202.298 -0.337 20 0 BBADLP COC[C@@H](O)C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720804378 712867199 /nfs/dbraw/zinc/86/71/99/712867199.db2.gz KIEMHVHCJFPBHT-IUCAKERBSA-N 2 2 202.298 -0.337 20 0 BBADLP COC[C@@H](O)C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720804378 712867196 /nfs/dbraw/zinc/86/71/96/712867196.db2.gz KIEMHVHCJFPBHT-IUCAKERBSA-N 2 2 202.298 -0.337 20 0 BBADLP COC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720804380 712867212 /nfs/dbraw/zinc/86/72/12/712867212.db2.gz KIEMHVHCJFPBHT-RKDXNWHRSA-N 2 2 202.298 -0.337 20 0 BBADLP COC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720804380 712867210 /nfs/dbraw/zinc/86/72/10/712867210.db2.gz KIEMHVHCJFPBHT-RKDXNWHRSA-N 2 2 202.298 -0.337 20 0 BBADLP COCCOC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720806407 712867000 /nfs/dbraw/zinc/86/70/00/712867000.db2.gz PCHZDECOJPTMNU-GHMZBOCLSA-N 2 2 246.351 -0.321 20 0 BBADLP COCCOC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720806407 712866997 /nfs/dbraw/zinc/86/69/97/712866997.db2.gz PCHZDECOJPTMNU-GHMZBOCLSA-N 2 2 246.351 -0.321 20 0 BBADLP COCCOC[C@H](O)C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720806409 712867175 /nfs/dbraw/zinc/86/71/75/712867175.db2.gz PCHZDECOJPTMNU-MNOVXSKESA-N 2 2 246.351 -0.321 20 0 BBADLP COCCOC[C@H](O)C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720806409 712867174 /nfs/dbraw/zinc/86/71/74/712867174.db2.gz PCHZDECOJPTMNU-MNOVXSKESA-N 2 2 246.351 -0.321 20 0 BBADLP COCCOC[C@@H](O)C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720806411 712867188 /nfs/dbraw/zinc/86/71/88/712867188.db2.gz PCHZDECOJPTMNU-QWRGUYRKSA-N 2 2 246.351 -0.321 20 0 BBADLP COCCOC[C@@H](O)C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720806411 712867187 /nfs/dbraw/zinc/86/71/87/712867187.db2.gz PCHZDECOJPTMNU-QWRGUYRKSA-N 2 2 246.351 -0.321 20 0 BBADLP COCCOC[C@@H](O)C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720806412 712867061 /nfs/dbraw/zinc/86/70/61/712867061.db2.gz PCHZDECOJPTMNU-WDEREUQCSA-N 2 2 246.351 -0.321 20 0 BBADLP COCCOC[C@@H](O)C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720806412 712867060 /nfs/dbraw/zinc/86/70/60/712867060.db2.gz PCHZDECOJPTMNU-WDEREUQCSA-N 2 2 246.351 -0.321 20 0 BBADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720810425 712867124 /nfs/dbraw/zinc/86/71/24/712867124.db2.gz VUQSBKFPTVWRNQ-DKCNOQQISA-N 2 2 240.307 -0.889 20 0 BBADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720810425 712867123 /nfs/dbraw/zinc/86/71/23/712867123.db2.gz VUQSBKFPTVWRNQ-DKCNOQQISA-N 2 2 240.307 -0.889 20 0 BBADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720853627 712870513 /nfs/dbraw/zinc/87/05/13/712870513.db2.gz COLWFKHINPNBIB-ATZCPNFKSA-N 2 2 211.309 -0.208 20 0 BBADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720853627 712870512 /nfs/dbraw/zinc/87/05/12/712870512.db2.gz COLWFKHINPNBIB-ATZCPNFKSA-N 2 2 211.309 -0.208 20 0 BBADLP CC[N@H+](CC(=O)NC)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721038114 712887951 /nfs/dbraw/zinc/88/79/51/712887951.db2.gz MPXFCMBCYFFQMF-ZJUUUORDSA-N 2 2 213.325 -0.090 20 0 BBADLP CC[N@@H+](CC(=O)NC)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721038114 712887949 /nfs/dbraw/zinc/88/79/49/712887949.db2.gz MPXFCMBCYFFQMF-ZJUUUORDSA-N 2 2 213.325 -0.090 20 0 BBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CC(=O)N(C)C ZINC000721038167 712887748 /nfs/dbraw/zinc/88/77/48/712887748.db2.gz OYTMTEJFMMWNGV-ZJUUUORDSA-N 2 2 213.325 -0.138 20 0 BBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CC(=O)N(C)C ZINC000721038167 712887746 /nfs/dbraw/zinc/88/77/46/712887746.db2.gz OYTMTEJFMMWNGV-ZJUUUORDSA-N 2 2 213.325 -0.138 20 0 BBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCNC(=O)C1 ZINC000721039235 712887957 /nfs/dbraw/zinc/88/79/57/712887957.db2.gz YPJHDMXGMXNLQZ-ZJUUUORDSA-N 2 2 211.309 -0.336 20 0 BBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCNC(=O)C1 ZINC000721039235 712887955 /nfs/dbraw/zinc/88/79/55/712887955.db2.gz YPJHDMXGMXNLQZ-ZJUUUORDSA-N 2 2 211.309 -0.336 20 0 BBADLP CCNC(=O)C[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721039445 712887541 /nfs/dbraw/zinc/88/75/41/712887541.db2.gz YWNZDDCBQRNUIY-ZJUUUORDSA-N 2 2 213.325 -0.090 20 0 BBADLP CCNC(=O)C[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721039445 712887539 /nfs/dbraw/zinc/88/75/39/712887539.db2.gz YWNZDDCBQRNUIY-ZJUUUORDSA-N 2 2 213.325 -0.090 20 0 BBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000721040024 712887536 /nfs/dbraw/zinc/88/75/36/712887536.db2.gz NULLWMMRVRBYBI-OUAUKWLOSA-N 2 2 238.335 -0.449 20 0 BBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000721040024 712887535 /nfs/dbraw/zinc/88/75/35/712887535.db2.gz NULLWMMRVRBYBI-OUAUKWLOSA-N 2 2 238.335 -0.449 20 0 BBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000721040025 712887510 /nfs/dbraw/zinc/88/75/10/712887510.db2.gz NULLWMMRVRBYBI-VWYCJHECSA-N 2 2 238.335 -0.449 20 0 BBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000721040025 712887508 /nfs/dbraw/zinc/88/75/08/712887508.db2.gz NULLWMMRVRBYBI-VWYCJHECSA-N 2 2 238.335 -0.449 20 0 BBADLP c1cn(CCc2nc(N3CC[NH2+]CC3)no2)c[nH+]1 ZINC000721363461 711614271 /nfs/dbraw/zinc/61/42/71/711614271.db2.gz BYQFHINOTZHAOS-UHFFFAOYSA-N 2 2 248.290 -0.082 20 0 BBADLP C[N@H+]1CCC[C@@H](NC(=O)c2ncoc2C[NH3+])C1 ZINC000721449575 711497317 /nfs/dbraw/zinc/49/73/17/711497317.db2.gz OXVTXBFEERJHJP-MRVPVSSYSA-N 2 2 238.291 -0.043 20 0 BBADLP C[N@@H+]1CCC[C@@H](NC(=O)c2ncoc2C[NH3+])C1 ZINC000721449575 711497316 /nfs/dbraw/zinc/49/73/16/711497316.db2.gz OXVTXBFEERJHJP-MRVPVSSYSA-N 2 2 238.291 -0.043 20 0 BBADLP C[N@H+]1CCC[C@H](NC(=O)c2ncoc2C[NH3+])C1 ZINC000721449578 711497541 /nfs/dbraw/zinc/49/75/41/711497541.db2.gz OXVTXBFEERJHJP-QMMMGPOBSA-N 2 2 238.291 -0.043 20 0 BBADLP C[N@@H+]1CCC[C@H](NC(=O)c2ncoc2C[NH3+])C1 ZINC000721449578 711497538 /nfs/dbraw/zinc/49/75/38/711497538.db2.gz OXVTXBFEERJHJP-QMMMGPOBSA-N 2 2 238.291 -0.043 20 0 BBADLP COC[C@@H](C)OC[C@H](O)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000723453209 711511341 /nfs/dbraw/zinc/51/13/41/711511341.db2.gz KJCISCGNFVMXPV-DDHJBXDOSA-N 2 2 246.351 -0.322 20 0 BBADLP COC[C@@H](C)OC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000723453209 711511338 /nfs/dbraw/zinc/51/13/38/711511338.db2.gz KJCISCGNFVMXPV-DDHJBXDOSA-N 2 2 246.351 -0.322 20 0 BBADLP COC[C@H](C)OC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000723453210 711511506 /nfs/dbraw/zinc/51/15/06/711511506.db2.gz KJCISCGNFVMXPV-NOOOWODRSA-N 2 2 246.351 -0.322 20 0 BBADLP COC[C@H](C)OC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000723453210 711511504 /nfs/dbraw/zinc/51/15/04/711511504.db2.gz KJCISCGNFVMXPV-NOOOWODRSA-N 2 2 246.351 -0.322 20 0 BBADLP COC[C@@H](C)OC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000723453211 711511382 /nfs/dbraw/zinc/51/13/82/711511382.db2.gz KJCISCGNFVMXPV-WISYIIOYSA-N 2 2 246.351 -0.322 20 0 BBADLP COC[C@@H](C)OC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000723453211 711511380 /nfs/dbraw/zinc/51/13/80/711511380.db2.gz KJCISCGNFVMXPV-WISYIIOYSA-N 2 2 246.351 -0.322 20 0 BBADLP CCOC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000723453456 711511360 /nfs/dbraw/zinc/51/13/60/711511360.db2.gz XLFPENVEAGPRLX-KXUCPTDWSA-N 2 2 202.298 -0.337 20 0 BBADLP CCOC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000723453456 711511357 /nfs/dbraw/zinc/51/13/57/711511357.db2.gz XLFPENVEAGPRLX-KXUCPTDWSA-N 2 2 202.298 -0.337 20 0 BBADLP COC[C@@H](C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1)OC ZINC000723466229 711512291 /nfs/dbraw/zinc/51/22/91/711512291.db2.gz OCVWNEKNWOYHQZ-OPRDCNLKSA-N 2 2 202.298 -0.073 20 0 BBADLP COC[C@@H](C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1)OC ZINC000723466229 711512290 /nfs/dbraw/zinc/51/22/90/711512290.db2.gz OCVWNEKNWOYHQZ-OPRDCNLKSA-N 2 2 202.298 -0.073 20 0 BBADLP COCCOC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000723479439 711512359 /nfs/dbraw/zinc/51/23/59/711512359.db2.gz FDFBUXWZHQYJDQ-OUAUKWLOSA-N 2 2 232.324 -0.711 20 0 BBADLP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000723479439 711512357 /nfs/dbraw/zinc/51/23/57/711512357.db2.gz FDFBUXWZHQYJDQ-OUAUKWLOSA-N 2 2 232.324 -0.711 20 0 BBADLP [NH3+][C@H](CC(=O)N1CCC[NH2+]CC1)C(F)F ZINC000724713965 711609432 /nfs/dbraw/zinc/60/94/32/711609432.db2.gz WCEJGNHIHCNRNE-SSDOTTSWSA-N 2 2 221.251 -0.209 20 0 BBADLP [NH3+][C@@H](CC(=O)N1CCC[NH2+]CC1)C(F)F ZINC000724713968 711609399 /nfs/dbraw/zinc/60/93/99/711609399.db2.gz WCEJGNHIHCNRNE-ZETCQYMHSA-N 2 2 221.251 -0.209 20 0 BBADLP [NH3+][C@@H](CC(=O)N1CC[NH2+]CC1)C(F)F ZINC000724728329 711610076 /nfs/dbraw/zinc/61/00/76/711610076.db2.gz XZMVCVWJYGOLDS-LURJTMIESA-N 2 2 207.224 -0.599 20 0 BBADLP [NH3+][C@H](CC(=O)N1CC[NH2+]CC1)C(F)F ZINC000724728330 711610082 /nfs/dbraw/zinc/61/00/82/711610082.db2.gz XZMVCVWJYGOLDS-ZCFIWIBFSA-N 2 2 207.224 -0.599 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1COCC[C@H]1OC ZINC000724880613 711623010 /nfs/dbraw/zinc/62/30/10/711623010.db2.gz SLULKOUVFNMLNC-IJLUTSLNSA-N 2 2 246.351 -0.308 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1COCC[C@H]1OC ZINC000724880613 711623008 /nfs/dbraw/zinc/62/30/08/711623008.db2.gz SLULKOUVFNMLNC-IJLUTSLNSA-N 2 2 246.351 -0.308 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1COCC[C@H]1OC ZINC000724880614 711622999 /nfs/dbraw/zinc/62/29/99/711622999.db2.gz SLULKOUVFNMLNC-QJPTWQEYSA-N 2 2 246.351 -0.308 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1COCC[C@H]1OC ZINC000724880614 711622997 /nfs/dbraw/zinc/62/29/97/711622997.db2.gz SLULKOUVFNMLNC-QJPTWQEYSA-N 2 2 246.351 -0.308 20 0 BBADLP [NH3+]CC[NH+]1CCC(N2CC[NH2+]CC2)CC1 ZINC000725273789 538105019 /nfs/dbraw/zinc/10/50/19/538105019.db2.gz GWZLINYZYZQSEQ-UHFFFAOYSA-N 3 2 212.341 -0.685 20 0 BBADLP O=C1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)CCN1 ZINC000728686804 583904536 /nfs/dbraw/zinc/90/45/36/583904536.db2.gz MSTQLHPIVDDCPX-LLVKDONJSA-N 2 2 241.335 -0.735 20 0 BBADLP O=C1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)CCN1 ZINC000728686804 583904535 /nfs/dbraw/zinc/90/45/35/583904535.db2.gz MSTQLHPIVDDCPX-LLVKDONJSA-N 2 2 241.335 -0.735 20 0 BBADLP O=C1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)CCN1 ZINC000728686805 583904177 /nfs/dbraw/zinc/90/41/77/583904177.db2.gz MSTQLHPIVDDCPX-NSHDSACASA-N 2 2 241.335 -0.735 20 0 BBADLP O=C1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)CCN1 ZINC000728686805 583904175 /nfs/dbraw/zinc/90/41/75/583904175.db2.gz MSTQLHPIVDDCPX-NSHDSACASA-N 2 2 241.335 -0.735 20 0 BBADLP Cc1cc(NCC(=O)N2CC[NH+](C)CC2)nc[nH+]1 ZINC000732919991 584941844 /nfs/dbraw/zinc/94/18/44/584941844.db2.gz BUKYVKICBMXIPR-UHFFFAOYSA-N 2 2 249.318 -0.029 20 0 BBADLP O=C(CC[NH+]1CCOCC1)NCc1[nH]cc[nH+]1 ZINC000733957064 584955632 /nfs/dbraw/zinc/95/56/32/584955632.db2.gz MNGXIWOZNAOEEP-UHFFFAOYSA-N 2 2 238.291 -0.252 20 0 BBADLP C[C@@H]1C[C@H]([N@@H+](C)CCS(N)(=O)=O)CC[NH+]1C ZINC000741790634 585119308 /nfs/dbraw/zinc/11/93/08/585119308.db2.gz KBIGGPWTLBSEBL-NXEZZACHSA-N 2 2 249.380 -0.311 20 0 BBADLP C[C@@H]1C[C@H]([N@H+](C)CCS(N)(=O)=O)CC[NH+]1C ZINC000741790634 585119307 /nfs/dbraw/zinc/11/93/07/585119307.db2.gz KBIGGPWTLBSEBL-NXEZZACHSA-N 2 2 249.380 -0.311 20 0 BBADLP C[C@@H]1C[C@H]([NH+](C)CCS(N)(=O)=O)CC[N@H+]1C ZINC000741790634 585119306 /nfs/dbraw/zinc/11/93/06/585119306.db2.gz KBIGGPWTLBSEBL-NXEZZACHSA-N 2 2 249.380 -0.311 20 0 BBADLP C[C@@H]1C[C@H]([NH+](C)CCS(N)(=O)=O)CC[N@@H+]1C ZINC000741790634 585119305 /nfs/dbraw/zinc/11/93/05/585119305.db2.gz KBIGGPWTLBSEBL-NXEZZACHSA-N 2 2 249.380 -0.311 20 0 BBADLP C[C@H]1C[C@@H]([N@@H+](C)CCS(N)(=O)=O)CC[NH+]1C ZINC000741790635 585119201 /nfs/dbraw/zinc/11/92/01/585119201.db2.gz KBIGGPWTLBSEBL-UWVGGRQHSA-N 2 2 249.380 -0.311 20 0 BBADLP C[C@H]1C[C@@H]([N@H+](C)CCS(N)(=O)=O)CC[NH+]1C ZINC000741790635 585119200 /nfs/dbraw/zinc/11/92/00/585119200.db2.gz KBIGGPWTLBSEBL-UWVGGRQHSA-N 2 2 249.380 -0.311 20 0 BBADLP C[C@H]1C[C@@H]([NH+](C)CCS(N)(=O)=O)CC[N@H+]1C ZINC000741790635 585119199 /nfs/dbraw/zinc/11/91/99/585119199.db2.gz KBIGGPWTLBSEBL-UWVGGRQHSA-N 2 2 249.380 -0.311 20 0 BBADLP C[C@H]1C[C@@H]([NH+](C)CCS(N)(=O)=O)CC[N@@H+]1C ZINC000741790635 585119198 /nfs/dbraw/zinc/11/91/98/585119198.db2.gz KBIGGPWTLBSEBL-UWVGGRQHSA-N 2 2 249.380 -0.311 20 0 BBADLP C[C@H]1C[C@H]([N@@H+](C)CCS(N)(=O)=O)CC[NH+]1C ZINC000741790636 585119241 /nfs/dbraw/zinc/11/92/41/585119241.db2.gz KBIGGPWTLBSEBL-VHSXEESVSA-N 2 2 249.380 -0.311 20 0 BBADLP C[C@H]1C[C@H]([N@H+](C)CCS(N)(=O)=O)CC[NH+]1C ZINC000741790636 585119240 /nfs/dbraw/zinc/11/92/40/585119240.db2.gz KBIGGPWTLBSEBL-VHSXEESVSA-N 2 2 249.380 -0.311 20 0 BBADLP C[C@H]1C[C@H]([NH+](C)CCS(N)(=O)=O)CC[N@H+]1C ZINC000741790636 585119239 /nfs/dbraw/zinc/11/92/39/585119239.db2.gz KBIGGPWTLBSEBL-VHSXEESVSA-N 2 2 249.380 -0.311 20 0 BBADLP C[C@H]1C[C@H]([NH+](C)CCS(N)(=O)=O)CC[N@@H+]1C ZINC000741790636 585119238 /nfs/dbraw/zinc/11/92/38/585119238.db2.gz KBIGGPWTLBSEBL-VHSXEESVSA-N 2 2 249.380 -0.311 20 0 BBADLP C[C@@H]1C[C@@H]([N@@H+](C)CCS(N)(=O)=O)CC[NH+]1C ZINC000741790637 585118979 /nfs/dbraw/zinc/11/89/79/585118979.db2.gz KBIGGPWTLBSEBL-ZJUUUORDSA-N 2 2 249.380 -0.311 20 0 BBADLP C[C@@H]1C[C@@H]([N@H+](C)CCS(N)(=O)=O)CC[NH+]1C ZINC000741790637 585118978 /nfs/dbraw/zinc/11/89/78/585118978.db2.gz KBIGGPWTLBSEBL-ZJUUUORDSA-N 2 2 249.380 -0.311 20 0 BBADLP C[C@@H]1C[C@@H]([NH+](C)CCS(N)(=O)=O)CC[N@H+]1C ZINC000741790637 585118977 /nfs/dbraw/zinc/11/89/77/585118977.db2.gz KBIGGPWTLBSEBL-ZJUUUORDSA-N 2 2 249.380 -0.311 20 0 BBADLP C[C@@H]1C[C@@H]([NH+](C)CCS(N)(=O)=O)CC[N@@H+]1C ZINC000741790637 585118976 /nfs/dbraw/zinc/11/89/76/585118976.db2.gz KBIGGPWTLBSEBL-ZJUUUORDSA-N 2 2 249.380 -0.311 20 0 BBADLP Cc1nc(N2CCC[N@@H+](CC(N)=O)CC2)cc[nH+]1 ZINC000742395463 585125734 /nfs/dbraw/zinc/12/57/34/585125734.db2.gz VJWWIBRBJJIUEY-UHFFFAOYSA-N 2 2 249.318 -0.218 20 0 BBADLP Cc1nc(N2CCC[N@H+](CC(N)=O)CC2)cc[nH+]1 ZINC000742395463 585125733 /nfs/dbraw/zinc/12/57/33/585125733.db2.gz VJWWIBRBJJIUEY-UHFFFAOYSA-N 2 2 249.318 -0.218 20 0 BBADLP Cc1nc(NCC(=O)N2CC[NH+](C)CC2)cc[nH+]1 ZINC000742401737 585125871 /nfs/dbraw/zinc/12/58/71/585125871.db2.gz ZMNMMQQFDOEWHW-UHFFFAOYSA-N 2 2 249.318 -0.029 20 0 BBADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCS(N)(=O)=O)C1 ZINC000744423346 585150222 /nfs/dbraw/zinc/15/02/22/585150222.db2.gz FLUBIJDMECKCEY-JTQLQIEISA-N 2 2 249.380 -0.452 20 0 BBADLP CC[NH+](C)C[C@@H]1CC[N@H+](CCS(N)(=O)=O)C1 ZINC000744423346 585150221 /nfs/dbraw/zinc/15/02/21/585150221.db2.gz FLUBIJDMECKCEY-JTQLQIEISA-N 2 2 249.380 -0.452 20 0 BBADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCS(N)(=O)=O)C1 ZINC000744423346 585150220 /nfs/dbraw/zinc/15/02/20/585150220.db2.gz FLUBIJDMECKCEY-JTQLQIEISA-N 2 2 249.380 -0.452 20 0 BBADLP CC[N@H+](C)C[C@@H]1CC[NH+](CCS(N)(=O)=O)C1 ZINC000744423346 585150219 /nfs/dbraw/zinc/15/02/19/585150219.db2.gz FLUBIJDMECKCEY-JTQLQIEISA-N 2 2 249.380 -0.452 20 0 BBADLP CC[NH+](C)C[C@H]1CC[N@@H+](CCS(N)(=O)=O)C1 ZINC000744423347 585150488 /nfs/dbraw/zinc/15/04/88/585150488.db2.gz FLUBIJDMECKCEY-SNVBAGLBSA-N 2 2 249.380 -0.452 20 0 BBADLP CC[NH+](C)C[C@H]1CC[N@H+](CCS(N)(=O)=O)C1 ZINC000744423347 585150487 /nfs/dbraw/zinc/15/04/87/585150487.db2.gz FLUBIJDMECKCEY-SNVBAGLBSA-N 2 2 249.380 -0.452 20 0 BBADLP CC[N@@H+](C)C[C@H]1CC[NH+](CCS(N)(=O)=O)C1 ZINC000744423347 585150486 /nfs/dbraw/zinc/15/04/86/585150486.db2.gz FLUBIJDMECKCEY-SNVBAGLBSA-N 2 2 249.380 -0.452 20 0 BBADLP CC[N@H+](C)C[C@H]1CC[NH+](CCS(N)(=O)=O)C1 ZINC000744423347 585150485 /nfs/dbraw/zinc/15/04/85/585150485.db2.gz FLUBIJDMECKCEY-SNVBAGLBSA-N 2 2 249.380 -0.452 20 0 BBADLP C[C@@H](C(=O)NC[C@H]1C[NH+]2CCN1CC2)[NH+](C)C ZINC000747527409 585180453 /nfs/dbraw/zinc/18/04/53/585180453.db2.gz TZULIOSBCDXMSO-QWRGUYRKSA-N 2 2 240.351 -0.948 20 0 BBADLP C[C@@H](C(=O)NC[C@@H]1C[NH+]2CCN1CC2)[NH+](C)C ZINC000747527410 585180468 /nfs/dbraw/zinc/18/04/68/585180468.db2.gz TZULIOSBCDXMSO-WDEREUQCSA-N 2 2 240.351 -0.948 20 0 BBADLP O=C(CC[NH+]1CCOCC1)NCc1c[nH+]c[nH]1 ZINC000748321507 585190691 /nfs/dbraw/zinc/19/06/91/585190691.db2.gz DWJGMZKUPXBYOH-UHFFFAOYSA-N 2 2 238.291 -0.252 20 0 BBADLP O=C(CC[NH+]1CCOCC1)NCC[NH+]1CCC1 ZINC000752294951 585244783 /nfs/dbraw/zinc/24/47/83/585244783.db2.gz GMEKLAVUDLDJPC-UHFFFAOYSA-N 2 2 241.335 -0.469 20 0 BBADLP C[C@@H](C(=O)NCc1c[nH+]cn1C)[NH+](C)C ZINC000752948702 585251684 /nfs/dbraw/zinc/25/16/84/585251684.db2.gz AMIJGYNRZGWWSM-QMMMGPOBSA-N 2 2 210.281 -0.014 20 0 BBADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000754421648 585284475 /nfs/dbraw/zinc/28/44/75/585284475.db2.gz DTWOSTMXFNZJFU-GHMZBOCLSA-N 2 2 241.335 -0.521 20 0 BBADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000754421648 585284474 /nfs/dbraw/zinc/28/44/74/585284474.db2.gz DTWOSTMXFNZJFU-GHMZBOCLSA-N 2 2 241.335 -0.521 20 0 BBADLP C[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000754421648 585284473 /nfs/dbraw/zinc/28/44/73/585284473.db2.gz DTWOSTMXFNZJFU-GHMZBOCLSA-N 2 2 241.335 -0.521 20 0 BBADLP C[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000754421648 585284472 /nfs/dbraw/zinc/28/44/72/585284472.db2.gz DTWOSTMXFNZJFU-GHMZBOCLSA-N 2 2 241.335 -0.521 20 0 BBADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000754421652 585284395 /nfs/dbraw/zinc/28/43/95/585284395.db2.gz DTWOSTMXFNZJFU-MNOVXSKESA-N 2 2 241.335 -0.521 20 0 BBADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000754421652 585284394 /nfs/dbraw/zinc/28/43/94/585284394.db2.gz DTWOSTMXFNZJFU-MNOVXSKESA-N 2 2 241.335 -0.521 20 0 BBADLP C[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000754421652 585284393 /nfs/dbraw/zinc/28/43/93/585284393.db2.gz DTWOSTMXFNZJFU-MNOVXSKESA-N 2 2 241.335 -0.521 20 0 BBADLP C[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000754421652 585284392 /nfs/dbraw/zinc/28/43/92/585284392.db2.gz DTWOSTMXFNZJFU-MNOVXSKESA-N 2 2 241.335 -0.521 20 0 BBADLP C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000754421653 585284321 /nfs/dbraw/zinc/28/43/21/585284321.db2.gz DTWOSTMXFNZJFU-QWRGUYRKSA-N 2 2 241.335 -0.521 20 0 BBADLP C[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000754421653 585284320 /nfs/dbraw/zinc/28/43/20/585284320.db2.gz DTWOSTMXFNZJFU-QWRGUYRKSA-N 2 2 241.335 -0.521 20 0 BBADLP C[C@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000754421653 585284319 /nfs/dbraw/zinc/28/43/19/585284319.db2.gz DTWOSTMXFNZJFU-QWRGUYRKSA-N 2 2 241.335 -0.521 20 0 BBADLP C[C@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000754421653 585284318 /nfs/dbraw/zinc/28/43/18/585284318.db2.gz DTWOSTMXFNZJFU-QWRGUYRKSA-N 2 2 241.335 -0.521 20 0 BBADLP C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000754421654 585284505 /nfs/dbraw/zinc/28/45/05/585284505.db2.gz DTWOSTMXFNZJFU-WDEREUQCSA-N 2 2 241.335 -0.521 20 0 BBADLP C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000754421654 585284504 /nfs/dbraw/zinc/28/45/04/585284504.db2.gz DTWOSTMXFNZJFU-WDEREUQCSA-N 2 2 241.335 -0.521 20 0 BBADLP C[C@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000754421654 585284503 /nfs/dbraw/zinc/28/45/03/585284503.db2.gz DTWOSTMXFNZJFU-WDEREUQCSA-N 2 2 241.335 -0.521 20 0 BBADLP C[C@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000754421654 585284502 /nfs/dbraw/zinc/28/45/02/585284502.db2.gz DTWOSTMXFNZJFU-WDEREUQCSA-N 2 2 241.335 -0.521 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000756128840 585314794 /nfs/dbraw/zinc/31/47/94/585314794.db2.gz SKSYRWWGVPLDIW-ADEWGFFLSA-N 2 2 238.335 -0.007 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000756128840 585314793 /nfs/dbraw/zinc/31/47/93/585314793.db2.gz SKSYRWWGVPLDIW-ADEWGFFLSA-N 2 2 238.335 -0.007 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000756128841 585314900 /nfs/dbraw/zinc/31/49/00/585314900.db2.gz SKSYRWWGVPLDIW-JLLWLGSASA-N 2 2 238.335 -0.007 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000756128841 585314899 /nfs/dbraw/zinc/31/48/99/585314899.db2.gz SKSYRWWGVPLDIW-JLLWLGSASA-N 2 2 238.335 -0.007 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000756128842 585314985 /nfs/dbraw/zinc/31/49/85/585314985.db2.gz SKSYRWWGVPLDIW-USWWRNFRSA-N 2 2 238.335 -0.007 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000756128842 585314984 /nfs/dbraw/zinc/31/49/84/585314984.db2.gz SKSYRWWGVPLDIW-USWWRNFRSA-N 2 2 238.335 -0.007 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000756128843 585314738 /nfs/dbraw/zinc/31/47/38/585314738.db2.gz SKSYRWWGVPLDIW-YUSALJHKSA-N 2 2 238.335 -0.007 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000756128843 585314737 /nfs/dbraw/zinc/31/47/37/585314737.db2.gz SKSYRWWGVPLDIW-YUSALJHKSA-N 2 2 238.335 -0.007 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCNC1=O ZINC000759422578 585372577 /nfs/dbraw/zinc/37/25/77/585372577.db2.gz IGIMAVPTWZHWRZ-GHMZBOCLSA-N 2 2 241.335 -0.737 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCNC1=O ZINC000759422578 585372576 /nfs/dbraw/zinc/37/25/76/585372576.db2.gz IGIMAVPTWZHWRZ-GHMZBOCLSA-N 2 2 241.335 -0.737 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H]1CCNC1=O ZINC000759422583 585372655 /nfs/dbraw/zinc/37/26/55/585372655.db2.gz IGIMAVPTWZHWRZ-MNOVXSKESA-N 2 2 241.335 -0.737 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H]1CCNC1=O ZINC000759422583 585372654 /nfs/dbraw/zinc/37/26/54/585372654.db2.gz IGIMAVPTWZHWRZ-MNOVXSKESA-N 2 2 241.335 -0.737 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@H]1CCNC1=O ZINC000759422585 585372596 /nfs/dbraw/zinc/37/25/96/585372596.db2.gz IGIMAVPTWZHWRZ-QWRGUYRKSA-N 2 2 241.335 -0.737 20 0 BBADLP C[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@H]1CCNC1=O ZINC000759422585 585372595 /nfs/dbraw/zinc/37/25/95/585372595.db2.gz IGIMAVPTWZHWRZ-QWRGUYRKSA-N 2 2 241.335 -0.737 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCNC1=O ZINC000759423259 585372607 /nfs/dbraw/zinc/37/26/07/585372607.db2.gz IGIMAVPTWZHWRZ-WDEREUQCSA-N 2 2 241.335 -0.737 20 0 BBADLP C[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCNC1=O ZINC000759423259 585372606 /nfs/dbraw/zinc/37/26/06/585372606.db2.gz IGIMAVPTWZHWRZ-WDEREUQCSA-N 2 2 241.335 -0.737 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC(O)C1 ZINC000759873938 585382225 /nfs/dbraw/zinc/38/22/25/585382225.db2.gz CBGYMXFHTCKTAK-HTAVTVPLSA-N 2 2 228.336 -0.102 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC(O)C1 ZINC000759873938 585382224 /nfs/dbraw/zinc/38/22/24/585382224.db2.gz CBGYMXFHTCKTAK-HTAVTVPLSA-N 2 2 228.336 -0.102 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CC(O)C1 ZINC000759873941 585382268 /nfs/dbraw/zinc/38/22/68/585382268.db2.gz CBGYMXFHTCKTAK-MCIGGMRASA-N 2 2 228.336 -0.102 20 0 BBADLP C[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CC(O)C1 ZINC000759873941 585382267 /nfs/dbraw/zinc/38/22/67/585382267.db2.gz CBGYMXFHTCKTAK-MCIGGMRASA-N 2 2 228.336 -0.102 20 0 BBADLP C[NH+](C)[C@H]1CCC[N@@H+](CCS(N)(=O)=O)CC1 ZINC000759978931 585383751 /nfs/dbraw/zinc/38/37/51/585383751.db2.gz YUTYNVVRWIPKMN-JTQLQIEISA-N 2 2 249.380 -0.309 20 0 BBADLP C[NH+](C)[C@H]1CCC[N@H+](CCS(N)(=O)=O)CC1 ZINC000759978931 585383750 /nfs/dbraw/zinc/38/37/50/585383750.db2.gz YUTYNVVRWIPKMN-JTQLQIEISA-N 2 2 249.380 -0.309 20 0 BBADLP C[NH+](C)[C@@H]1CCC[N@@H+](CCS(N)(=O)=O)CC1 ZINC000759978954 585383772 /nfs/dbraw/zinc/38/37/72/585383772.db2.gz YUTYNVVRWIPKMN-SNVBAGLBSA-N 2 2 249.380 -0.309 20 0 BBADLP C[NH+](C)[C@@H]1CCC[N@H+](CCS(N)(=O)=O)CC1 ZINC000759978954 585383771 /nfs/dbraw/zinc/38/37/71/585383771.db2.gz YUTYNVVRWIPKMN-SNVBAGLBSA-N 2 2 249.380 -0.309 20 0 BBADLP C[C@@H]1CN(CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000761078340 585405879 /nfs/dbraw/zinc/40/58/79/585405879.db2.gz BPEPVYMGLYIFJF-GFCCVEGCSA-N 2 2 227.352 -0.046 20 0 BBADLP C[C@@H]1CN(CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000761078340 585405878 /nfs/dbraw/zinc/40/58/78/585405878.db2.gz BPEPVYMGLYIFJF-GFCCVEGCSA-N 2 2 227.352 -0.046 20 0 BBADLP C[C@H]1CN(CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000761078342 585406422 /nfs/dbraw/zinc/40/64/22/585406422.db2.gz BPEPVYMGLYIFJF-LBPRGKRZSA-N 2 2 227.352 -0.046 20 0 BBADLP C[C@H]1CN(CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000761078342 585406421 /nfs/dbraw/zinc/40/64/21/585406421.db2.gz BPEPVYMGLYIFJF-LBPRGKRZSA-N 2 2 227.352 -0.046 20 0 BBADLP Cc1nc(N2CC[NH2+][C@H](C(N)=O)C2)c(C)c(C)[nH+]1 ZINC000761869738 585421347 /nfs/dbraw/zinc/42/13/47/585421347.db2.gz AYBOBFALFXELLY-JTQLQIEISA-N 2 2 249.318 -0.335 20 0 BBADLP Cc1nc(N2CC[NH2+][C@@H](C(N)=O)C2)c(C)c(C)[nH+]1 ZINC000761869740 585421416 /nfs/dbraw/zinc/42/14/16/585421416.db2.gz AYBOBFALFXELLY-SNVBAGLBSA-N 2 2 249.318 -0.335 20 0 BBADLP C[NH+](C)C1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000765963983 585494577 /nfs/dbraw/zinc/49/45/77/585494577.db2.gz YNUZFLICDYSTAE-JTQLQIEISA-N 2 2 239.319 -0.182 20 0 BBADLP C[NH+](C)C1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000765963987 585494747 /nfs/dbraw/zinc/49/47/47/585494747.db2.gz YNUZFLICDYSTAE-SNVBAGLBSA-N 2 2 239.319 -0.182 20 0 BBADLP CC[N@@H+](CCn1cc[nH+]c1)CC(=O)NC ZINC000766240252 644665045 /nfs/dbraw/zinc/66/50/45/644665045.db2.gz YTJCGXCPBNFMJU-UHFFFAOYSA-N 2 2 210.281 -0.049 20 0 BBADLP CC[N@H+](CCn1cc[nH+]c1)CC(=O)NC ZINC000766240252 644665040 /nfs/dbraw/zinc/66/50/40/644665040.db2.gz YTJCGXCPBNFMJU-UHFFFAOYSA-N 2 2 210.281 -0.049 20 0 BBADLP C[N@@H+](CCCn1cc[nH+]c1)CCS(N)(=O)=O ZINC000774745396 585665011 /nfs/dbraw/zinc/66/50/11/585665011.db2.gz PUMKTVNUVDQODN-UHFFFAOYSA-N 2 2 246.336 -0.507 20 0 BBADLP C[N@H+](CCCn1cc[nH+]c1)CCS(N)(=O)=O ZINC000774745396 585665010 /nfs/dbraw/zinc/66/50/10/585665010.db2.gz PUMKTVNUVDQODN-UHFFFAOYSA-N 2 2 246.336 -0.507 20 0 BBADLP CONC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000776168338 585691521 /nfs/dbraw/zinc/69/15/21/585691521.db2.gz FXCBPFNNZURJOL-UHFFFAOYSA-N 2 2 244.339 -0.127 20 0 BBADLP OC[C@]12C[C@H]1C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C2 ZINC000782616326 585822383 /nfs/dbraw/zinc/82/23/83/585822383.db2.gz AYJGTYYEAFLDCZ-RWMBFGLXSA-N 2 2 240.347 -0.243 20 0 BBADLP OC[C@]12C[C@H]1C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C2 ZINC000782616326 585822382 /nfs/dbraw/zinc/82/23/82/585822382.db2.gz AYJGTYYEAFLDCZ-RWMBFGLXSA-N 2 2 240.347 -0.243 20 0 BBADLP OC[C@]12C[C@H]1C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C2 ZINC000782616327 585822469 /nfs/dbraw/zinc/82/24/69/585822469.db2.gz AYJGTYYEAFLDCZ-YNEHKIRRSA-N 2 2 240.347 -0.243 20 0 BBADLP OC[C@]12C[C@H]1C[N@H+](C[C@H](O)C[NH+]1CCCC1)C2 ZINC000782616327 585822468 /nfs/dbraw/zinc/82/24/68/585822468.db2.gz AYJGTYYEAFLDCZ-YNEHKIRRSA-N 2 2 240.347 -0.243 20 0 BBADLP CCC[N@H+](CC(N)=O)C[C@H](O)C[NH+]1CCCC1 ZINC000795513227 586082814 /nfs/dbraw/zinc/08/28/14/586082814.db2.gz JEJYQUFJGFOWJD-LLVKDONJSA-N 2 2 243.351 -0.360 20 0 BBADLP CCC[N@@H+](CC(N)=O)C[C@H](O)C[NH+]1CCCC1 ZINC000795513227 586082812 /nfs/dbraw/zinc/08/28/12/586082812.db2.gz JEJYQUFJGFOWJD-LLVKDONJSA-N 2 2 243.351 -0.360 20 0 BBADLP CCC[N@H+](CC(N)=O)C[C@@H](O)C[NH+]1CCCC1 ZINC000795513228 586082743 /nfs/dbraw/zinc/08/27/43/586082743.db2.gz JEJYQUFJGFOWJD-NSHDSACASA-N 2 2 243.351 -0.360 20 0 BBADLP CCC[N@@H+](CC(N)=O)C[C@@H](O)C[NH+]1CCCC1 ZINC000795513228 586082741 /nfs/dbraw/zinc/08/27/41/586082741.db2.gz JEJYQUFJGFOWJD-NSHDSACASA-N 2 2 243.351 -0.360 20 0 BBADLP C[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799123038 586159683 /nfs/dbraw/zinc/15/96/83/586159683.db2.gz MXILVJKRZKASRU-NXEZZACHSA-N 2 2 239.319 -0.325 20 0 BBADLP C[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799123038 586159682 /nfs/dbraw/zinc/15/96/82/586159682.db2.gz MXILVJKRZKASRU-NXEZZACHSA-N 2 2 239.319 -0.325 20 0 BBADLP C[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799123087 586160153 /nfs/dbraw/zinc/16/01/53/586160153.db2.gz MXILVJKRZKASRU-UWVGGRQHSA-N 2 2 239.319 -0.325 20 0 BBADLP C[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799123087 586160150 /nfs/dbraw/zinc/16/01/50/586160150.db2.gz MXILVJKRZKASRU-UWVGGRQHSA-N 2 2 239.319 -0.325 20 0 BBADLP C[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799123088 586159928 /nfs/dbraw/zinc/15/99/28/586159928.db2.gz MXILVJKRZKASRU-VHSXEESVSA-N 2 2 239.319 -0.325 20 0 BBADLP C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799123088 586159926 /nfs/dbraw/zinc/15/99/26/586159926.db2.gz MXILVJKRZKASRU-VHSXEESVSA-N 2 2 239.319 -0.325 20 0 BBADLP C[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799123089 586160300 /nfs/dbraw/zinc/16/03/00/586160300.db2.gz MXILVJKRZKASRU-ZJUUUORDSA-N 2 2 239.319 -0.325 20 0 BBADLP C[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799123089 586160299 /nfs/dbraw/zinc/16/02/99/586160299.db2.gz MXILVJKRZKASRU-ZJUUUORDSA-N 2 2 239.319 -0.325 20 0 BBADLP Cn1c[nH+]c(CNC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000808382817 586470086 /nfs/dbraw/zinc/47/00/86/586470086.db2.gz MAXQRMYOMGDVIJ-GFCCVEGCSA-N 2 2 238.335 -0.034 20 0 BBADLP Cn1c[nH+]c(CNC[C@H](O)C[NH+]2CCCC2)c1 ZINC000808382818 586470192 /nfs/dbraw/zinc/47/01/92/586470192.db2.gz MAXQRMYOMGDVIJ-LBPRGKRZSA-N 2 2 238.335 -0.034 20 0 BBADLP C[NH+](C[C@H](O)C[N@H+]1C[C@@H]2C[C@]2(CO)C1)C1CC1 ZINC000809985337 586528730 /nfs/dbraw/zinc/52/87/30/586528730.db2.gz JZNCZTXVATYWTC-WCFLWFBJSA-N 2 2 240.347 -0.244 20 0 BBADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H]2C[C@]2(CO)C1)C1CC1 ZINC000809985337 586528729 /nfs/dbraw/zinc/52/87/29/586528729.db2.gz JZNCZTXVATYWTC-WCFLWFBJSA-N 2 2 240.347 -0.244 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H]2C[C@]2(CO)C1)C1CC1 ZINC000809985337 586528728 /nfs/dbraw/zinc/52/87/28/586528728.db2.gz JZNCZTXVATYWTC-WCFLWFBJSA-N 2 2 240.347 -0.244 20 0 BBADLP C[N@H+](C[C@H](O)C[NH+]1C[C@@H]2C[C@]2(CO)C1)C1CC1 ZINC000809985337 586528727 /nfs/dbraw/zinc/52/87/27/586528727.db2.gz JZNCZTXVATYWTC-WCFLWFBJSA-N 2 2 240.347 -0.244 20 0 BBADLP C[NH+](C[C@H](O)C[N@H+]1C[C@H]2C[C@@]2(CO)C1)C1CC1 ZINC000809985338 586528982 /nfs/dbraw/zinc/52/89/82/586528982.db2.gz JZNCZTXVATYWTC-WXHSDQCUSA-N 2 2 240.347 -0.244 20 0 BBADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@H]2C[C@@]2(CO)C1)C1CC1 ZINC000809985338 586528980 /nfs/dbraw/zinc/52/89/80/586528980.db2.gz JZNCZTXVATYWTC-WXHSDQCUSA-N 2 2 240.347 -0.244 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@H]2C[C@@]2(CO)C1)C1CC1 ZINC000809985338 586528979 /nfs/dbraw/zinc/52/89/79/586528979.db2.gz JZNCZTXVATYWTC-WXHSDQCUSA-N 2 2 240.347 -0.244 20 0 BBADLP C[N@H+](C[C@H](O)C[NH+]1C[C@H]2C[C@@]2(CO)C1)C1CC1 ZINC000809985338 586528978 /nfs/dbraw/zinc/52/89/78/586528978.db2.gz JZNCZTXVATYWTC-WXHSDQCUSA-N 2 2 240.347 -0.244 20 0 BBADLP Cn1c[nH+]cc1CNC(=S)NCC[NH+](C)C ZINC000811701673 586565949 /nfs/dbraw/zinc/56/59/49/586565949.db2.gz PKVRFDKCNWIOOB-UHFFFAOYSA-N 2 2 241.364 -0.054 20 0 BBADLP COCC[N@@H+](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000816915454 586771105 /nfs/dbraw/zinc/77/11/05/586771105.db2.gz AIOVCXAHXMCUHH-UHFFFAOYSA-N 2 2 240.307 -0.353 20 0 BBADLP COCC[N@H+](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000816915454 586771102 /nfs/dbraw/zinc/77/11/02/586771102.db2.gz AIOVCXAHXMCUHH-UHFFFAOYSA-N 2 2 240.307 -0.353 20 0 BBADLP CCNS(=O)(=O)CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000817911510 586838614 /nfs/dbraw/zinc/83/86/14/586838614.db2.gz OYPFQTVIDWCJFA-NXEZZACHSA-N 2 2 249.380 -0.487 20 0 BBADLP CCNS(=O)(=O)CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000817911515 586838051 /nfs/dbraw/zinc/83/80/51/586838051.db2.gz OYPFQTVIDWCJFA-UWVGGRQHSA-N 2 2 249.380 -0.487 20 0 BBADLP CCNS(=O)(=O)CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000817911517 586838669 /nfs/dbraw/zinc/83/86/69/586838669.db2.gz OYPFQTVIDWCJFA-VHSXEESVSA-N 2 2 249.380 -0.487 20 0 BBADLP CCNS(=O)(=O)CC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000817911518 586838650 /nfs/dbraw/zinc/83/86/50/586838650.db2.gz OYPFQTVIDWCJFA-ZJUUUORDSA-N 2 2 249.380 -0.487 20 0 BBADLP CON(C)C(=O)CC[NH2+]CCn1cc[nH+]c1 ZINC000818958854 586917986 /nfs/dbraw/zinc/91/79/86/586917986.db2.gz XWNMQCQZFJVMKO-UHFFFAOYSA-N 2 2 226.280 -0.117 20 0 BBADLP COCC[N@@H+](C)CC[NH2+]C[C@@H](O)C1CC1 ZINC000819007249 586922659 /nfs/dbraw/zinc/92/26/59/586922659.db2.gz UYPGHDFYVNDHOV-LLVKDONJSA-N 2 2 216.325 -0.075 20 0 BBADLP COCC[N@H+](C)CC[NH2+]C[C@@H](O)C1CC1 ZINC000819007249 586922656 /nfs/dbraw/zinc/92/26/56/586922656.db2.gz UYPGHDFYVNDHOV-LLVKDONJSA-N 2 2 216.325 -0.075 20 0 BBADLP COCC[N@@H+](C)CC[NH2+]C[C@H](O)C1CC1 ZINC000819007251 586922493 /nfs/dbraw/zinc/92/24/93/586922493.db2.gz UYPGHDFYVNDHOV-NSHDSACASA-N 2 2 216.325 -0.075 20 0 BBADLP COCC[N@H+](C)CC[NH2+]C[C@H](O)C1CC1 ZINC000819007251 586922491 /nfs/dbraw/zinc/92/24/91/586922491.db2.gz UYPGHDFYVNDHOV-NSHDSACASA-N 2 2 216.325 -0.075 20 0 BBADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@H](O)C1CC1 ZINC000819049701 586927683 /nfs/dbraw/zinc/92/76/83/586927683.db2.gz NJBRRWJKXQDZDT-NEPJUHHUSA-N 2 2 227.352 -0.407 20 0 BBADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@H](O)C1CC1 ZINC000819049701 586927682 /nfs/dbraw/zinc/92/76/82/586927682.db2.gz NJBRRWJKXQDZDT-NEPJUHHUSA-N 2 2 227.352 -0.407 20 0 BBADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)C1CC1 ZINC000819049704 586927531 /nfs/dbraw/zinc/92/75/31/586927531.db2.gz NJBRRWJKXQDZDT-NWDGAFQWSA-N 2 2 227.352 -0.407 20 0 BBADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)C1CC1 ZINC000819049704 586927530 /nfs/dbraw/zinc/92/75/30/586927530.db2.gz NJBRRWJKXQDZDT-NWDGAFQWSA-N 2 2 227.352 -0.407 20 0 BBADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H](O)C1CC1 ZINC000819049705 586927733 /nfs/dbraw/zinc/92/77/33/586927733.db2.gz NJBRRWJKXQDZDT-RYUDHWBXSA-N 2 2 227.352 -0.407 20 0 BBADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@H](O)C1CC1 ZINC000819049705 586927730 /nfs/dbraw/zinc/92/77/30/586927730.db2.gz NJBRRWJKXQDZDT-RYUDHWBXSA-N 2 2 227.352 -0.407 20 0 BBADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H](O)C1CC1 ZINC000819049706 586927983 /nfs/dbraw/zinc/92/79/83/586927983.db2.gz NJBRRWJKXQDZDT-VXGBXAGGSA-N 2 2 227.352 -0.407 20 0 BBADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@@H](O)C1CC1 ZINC000819049706 586927982 /nfs/dbraw/zinc/92/79/82/586927982.db2.gz NJBRRWJKXQDZDT-VXGBXAGGSA-N 2 2 227.352 -0.407 20 0 BBADLP CON(C)C(=O)CC[NH2+][C@@H](C)C[NH+](C)C ZINC000819309779 586949671 /nfs/dbraw/zinc/94/96/71/586949671.db2.gz VXVVPROUJKMKKQ-VIFPVBQESA-N 2 2 217.313 -0.064 20 0 BBADLP CON(C)C(=O)CC[NH2+]CCc1cn(C)c[nH+]1 ZINC000819360185 586957194 /nfs/dbraw/zinc/95/71/94/586957194.db2.gz KCNIOQINJMFZER-UHFFFAOYSA-N 2 2 240.307 -0.038 20 0 BBADLP C[C@H](C(=O)NC[C@@H]1C[NH+]2CCN1CC2)[NH+](C)C ZINC000821135459 587098160 /nfs/dbraw/zinc/09/81/60/587098160.db2.gz TZULIOSBCDXMSO-GHMZBOCLSA-N 2 2 240.351 -0.948 20 0 BBADLP C[C@H](C(=O)NC[C@H]1C[NH+]2CCN1CC2)[NH+](C)C ZINC000821135469 587098156 /nfs/dbraw/zinc/09/81/56/587098156.db2.gz TZULIOSBCDXMSO-MNOVXSKESA-N 2 2 240.351 -0.948 20 0 BBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[NH+](CCO)CC1 ZINC000821360738 587111651 /nfs/dbraw/zinc/11/16/51/587111651.db2.gz XHADXEMWQWBTCG-UHFFFAOYSA-N 2 2 238.291 -0.911 20 0 BBADLP C[C@H](C(=O)NCc1c[nH+]cn1C)[NH+](C)C ZINC000822996625 587197183 /nfs/dbraw/zinc/19/71/83/587197183.db2.gz AMIJGYNRZGWWSM-MRVPVSSYSA-N 2 2 210.281 -0.014 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC000824982299 587296939 /nfs/dbraw/zinc/29/69/39/587296939.db2.gz NUIWAIJGZBQASU-LLVKDONJSA-N 2 2 241.335 -0.471 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC000824982299 587296938 /nfs/dbraw/zinc/29/69/38/587296938.db2.gz NUIWAIJGZBQASU-LLVKDONJSA-N 2 2 241.335 -0.471 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC000824982300 587297015 /nfs/dbraw/zinc/29/70/15/587297015.db2.gz NUIWAIJGZBQASU-NSHDSACASA-N 2 2 241.335 -0.471 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC000824982300 587297014 /nfs/dbraw/zinc/29/70/14/587297014.db2.gz NUIWAIJGZBQASU-NSHDSACASA-N 2 2 241.335 -0.471 20 0 BBADLP O=C(Nc1cc[nH+]cc1O)[C@]1(F)CC[NH2+]C1 ZINC000828974636 587476785 /nfs/dbraw/zinc/47/67/85/587476785.db2.gz WEEUAMRDDLQGJP-JTQLQIEISA-N 2 2 225.223 -0.151 20 0 BBADLP O=C(Nc1cc[nH+]cc1O)[C@@]1(F)CC[NH2+]C1 ZINC000828974645 587476728 /nfs/dbraw/zinc/47/67/28/587476728.db2.gz WEEUAMRDDLQGJP-SNVBAGLBSA-N 2 2 225.223 -0.151 20 0 BBADLP CC1(C(N)=O)C[NH+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000829051310 587480662 /nfs/dbraw/zinc/48/06/62/587480662.db2.gz HVTXXLFSZGUYDD-JTQLQIEISA-N 2 2 241.335 -0.750 20 0 BBADLP CC1(C(N)=O)C[NH+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000829051312 587480594 /nfs/dbraw/zinc/48/05/94/587480594.db2.gz HVTXXLFSZGUYDD-SNVBAGLBSA-N 2 2 241.335 -0.750 20 0 BBADLP CN(CC[NH+](C)C)C(=O)Cc1[nH]cc[nH+]1 ZINC000829517931 587501741 /nfs/dbraw/zinc/50/17/41/587501741.db2.gz TUXATVAJQVAYIG-UHFFFAOYSA-N 2 2 210.281 -0.028 20 0 BBADLP CO[C@@H]1COC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000830085035 587535000 /nfs/dbraw/zinc/53/50/00/587535000.db2.gz DSRUJAOXORHIFJ-IJLUTSLNSA-N 2 2 244.335 -0.554 20 0 BBADLP CO[C@@H]1COC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000830085036 587534950 /nfs/dbraw/zinc/53/49/50/587534950.db2.gz DSRUJAOXORHIFJ-QJPTWQEYSA-N 2 2 244.335 -0.554 20 0 BBADLP CC(=O)NCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000830119743 587537072 /nfs/dbraw/zinc/53/70/72/587537072.db2.gz GDJOSCIVUWQOAS-GFCCVEGCSA-N 2 2 243.351 -0.489 20 0 BBADLP CC(=O)NCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000830119743 587537070 /nfs/dbraw/zinc/53/70/70/587537070.db2.gz GDJOSCIVUWQOAS-GFCCVEGCSA-N 2 2 243.351 -0.489 20 0 BBADLP CC(=O)NCC[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000830119750 587536826 /nfs/dbraw/zinc/53/68/26/587536826.db2.gz GDJOSCIVUWQOAS-LBPRGKRZSA-N 2 2 243.351 -0.489 20 0 BBADLP CC(=O)NCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000830119750 587536823 /nfs/dbraw/zinc/53/68/23/587536823.db2.gz GDJOSCIVUWQOAS-LBPRGKRZSA-N 2 2 243.351 -0.489 20 0 BBADLP O=C(NCc1c[nH]c[nH+]1)[C@@]1(F)CC[NH2+]C1 ZINC000830136524 587538894 /nfs/dbraw/zinc/53/88/94/587538894.db2.gz YLRSXQIBNWTAHU-SECBINFHSA-N 2 2 212.228 -0.273 20 0 BBADLP O=C(NCc1c[nH+]c[nH]1)[C@@]1(F)CC[NH2+]C1 ZINC000830136524 587538893 /nfs/dbraw/zinc/53/88/93/587538893.db2.gz YLRSXQIBNWTAHU-SECBINFHSA-N 2 2 212.228 -0.273 20 0 BBADLP O=C(NCc1c[nH]c[nH+]1)[C@]1(F)CC[NH2+]C1 ZINC000830136525 587538622 /nfs/dbraw/zinc/53/86/22/587538622.db2.gz YLRSXQIBNWTAHU-VIFPVBQESA-N 2 2 212.228 -0.273 20 0 BBADLP O=C(NCc1c[nH+]c[nH]1)[C@]1(F)CC[NH2+]C1 ZINC000830136525 587538621 /nfs/dbraw/zinc/53/86/21/587538621.db2.gz YLRSXQIBNWTAHU-VIFPVBQESA-N 2 2 212.228 -0.273 20 0 BBADLP CN(C)c1cc(Cn2nnnc2C[NH3+])cc[nH+]1 ZINC000830463296 587552421 /nfs/dbraw/zinc/55/24/21/587552421.db2.gz OKPQFOKNYSZFKV-UHFFFAOYSA-N 2 2 233.279 -0.359 20 0 BBADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH+]1CCC1 ZINC000830939084 587578633 /nfs/dbraw/zinc/57/86/33/587578633.db2.gz XHNUTTLXQIKWKC-UHFFFAOYSA-N 2 2 208.265 -0.226 20 0 BBADLP Cn1c[nH+]cc1CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000831088471 587585803 /nfs/dbraw/zinc/58/58/03/587585803.db2.gz ZUDUCDDLYMPXOU-LLVKDONJSA-N 2 2 237.307 -0.029 20 0 BBADLP Cn1c[nH+]cc1CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000831088472 587585686 /nfs/dbraw/zinc/58/56/86/587585686.db2.gz ZUDUCDDLYMPXOU-NSHDSACASA-N 2 2 237.307 -0.029 20 0 BBADLP C[C@@H]1CN(C(=O)c2n[nH]c3c2C[NH2+]CC3)CC[NH2+]1 ZINC000831578673 587620268 /nfs/dbraw/zinc/62/02/68/587620268.db2.gz SSQIJFJBTREKCE-MRVPVSSYSA-N 2 2 249.318 -0.511 20 0 BBADLP C[C@H]1CN(C(=O)c2n[nH]c3c2C[NH2+]CC3)CC[NH2+]1 ZINC000831611341 587623516 /nfs/dbraw/zinc/62/35/16/587623516.db2.gz SSQIJFJBTREKCE-QMMMGPOBSA-N 2 2 249.318 -0.511 20 0 BBADLP C[NH+](C)CCOCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000831755844 587630280 /nfs/dbraw/zinc/63/02/80/587630280.db2.gz SNKASTMJQGBOKB-UHFFFAOYSA-N 2 2 240.307 -0.353 20 0 BBADLP O=C(NCCc1[nH]cc[nH+]1)[C@]1(F)CC[NH2+]C1 ZINC000831920936 587636298 /nfs/dbraw/zinc/63/62/98/587636298.db2.gz FIOZXFBBXSRZKZ-JTQLQIEISA-N 2 2 226.255 -0.230 20 0 BBADLP O=C(NCCc1[nH]cc[nH+]1)[C@@]1(F)CC[NH2+]C1 ZINC000831920937 587636138 /nfs/dbraw/zinc/63/61/38/587636138.db2.gz FIOZXFBBXSRZKZ-SNVBAGLBSA-N 2 2 226.255 -0.230 20 0 BBADLP CC[N@@H+](CCO)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000832303411 587653723 /nfs/dbraw/zinc/65/37/23/587653723.db2.gz ZMPZIUORYBBXMQ-UHFFFAOYSA-N 2 2 240.307 -0.617 20 0 BBADLP CC[N@H+](CCO)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000832303411 587653721 /nfs/dbraw/zinc/65/37/21/587653721.db2.gz ZMPZIUORYBBXMQ-UHFFFAOYSA-N 2 2 240.307 -0.617 20 0 BBADLP C[C@@H]1C[NH2+]CCN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000832465114 587661692 /nfs/dbraw/zinc/66/16/92/587661692.db2.gz AYGVVOPBGMUVQS-MRVPVSSYSA-N 2 2 249.318 -0.511 20 0 BBADLP C[C@H]1C[NH2+]CCN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000832465116 587661854 /nfs/dbraw/zinc/66/18/54/587661854.db2.gz AYGVVOPBGMUVQS-QMMMGPOBSA-N 2 2 249.318 -0.511 20 0 BBADLP CO[C@H](C)CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000834298822 587750712 /nfs/dbraw/zinc/75/07/12/587750712.db2.gz CATUHWWHQVAOCF-NXEZZACHSA-N 2 2 229.324 -0.487 20 0 BBADLP CO[C@H](C)CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000834298822 587750711 /nfs/dbraw/zinc/75/07/11/587750711.db2.gz CATUHWWHQVAOCF-NXEZZACHSA-N 2 2 229.324 -0.487 20 0 BBADLP CO[C@@H](C)CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000834298823 587750732 /nfs/dbraw/zinc/75/07/32/587750732.db2.gz CATUHWWHQVAOCF-VHSXEESVSA-N 2 2 229.324 -0.487 20 0 BBADLP CO[C@@H](C)CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000834298823 587750731 /nfs/dbraw/zinc/75/07/31/587750731.db2.gz CATUHWWHQVAOCF-VHSXEESVSA-N 2 2 229.324 -0.487 20 0 BBADLP C[N@H+]1CCN(C(=O)C[C@@H]([NH3+])C2CC2)[C@H](C[NH3+])C1 ZINC000834299683 587750852 /nfs/dbraw/zinc/75/08/52/587750852.db2.gz WXUWHZIQYRVTRJ-GHMZBOCLSA-N 3 2 240.351 -0.785 20 0 BBADLP C[N@@H+]1CCN(C(=O)C[C@@H]([NH3+])C2CC2)[C@H](C[NH3+])C1 ZINC000834299683 587750851 /nfs/dbraw/zinc/75/08/51/587750851.db2.gz WXUWHZIQYRVTRJ-GHMZBOCLSA-N 3 2 240.351 -0.785 20 0 BBADLP C[N@H+]1CCN(C(=O)C[C@H]([NH3+])C2CC2)[C@H](C[NH3+])C1 ZINC000834299684 587750868 /nfs/dbraw/zinc/75/08/68/587750868.db2.gz WXUWHZIQYRVTRJ-MNOVXSKESA-N 3 2 240.351 -0.785 20 0 BBADLP C[N@@H+]1CCN(C(=O)C[C@H]([NH3+])C2CC2)[C@H](C[NH3+])C1 ZINC000834299684 587750867 /nfs/dbraw/zinc/75/08/67/587750867.db2.gz WXUWHZIQYRVTRJ-MNOVXSKESA-N 3 2 240.351 -0.785 20 0 BBADLP C[N@H+]1CCN(C(=O)C[C@H]([NH3+])C2CC2)[C@@H](C[NH3+])C1 ZINC000834299685 587750741 /nfs/dbraw/zinc/75/07/41/587750741.db2.gz WXUWHZIQYRVTRJ-QWRGUYRKSA-N 3 2 240.351 -0.785 20 0 BBADLP C[N@@H+]1CCN(C(=O)C[C@H]([NH3+])C2CC2)[C@@H](C[NH3+])C1 ZINC000834299685 587750740 /nfs/dbraw/zinc/75/07/40/587750740.db2.gz WXUWHZIQYRVTRJ-QWRGUYRKSA-N 3 2 240.351 -0.785 20 0 BBADLP C[N@H+]1CCN(C(=O)C[C@@H]([NH3+])C2CC2)[C@@H](C[NH3+])C1 ZINC000834299686 587750806 /nfs/dbraw/zinc/75/08/06/587750806.db2.gz WXUWHZIQYRVTRJ-WDEREUQCSA-N 3 2 240.351 -0.785 20 0 BBADLP C[N@@H+]1CCN(C(=O)C[C@@H]([NH3+])C2CC2)[C@@H](C[NH3+])C1 ZINC000834299686 587750805 /nfs/dbraw/zinc/75/08/05/587750805.db2.gz WXUWHZIQYRVTRJ-WDEREUQCSA-N 3 2 240.351 -0.785 20 0 BBADLP C[C@@H](C[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000834615141 587760946 /nfs/dbraw/zinc/76/09/46/587760946.db2.gz YLZOARDCOGJKQN-QMMMGPOBSA-N 2 2 246.274 -0.261 20 0 BBADLP C[N@@H+]1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000834656159 587762990 /nfs/dbraw/zinc/76/29/90/587762990.db2.gz JVVFZKTXGTVYLC-AOOOYVTPSA-N 2 2 234.303 -0.028 20 0 BBADLP C[N@H+]1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000834656159 587762989 /nfs/dbraw/zinc/76/29/89/587762989.db2.gz JVVFZKTXGTVYLC-AOOOYVTPSA-N 2 2 234.303 -0.028 20 0 BBADLP CCCCCCNC(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000842475932 588029881 /nfs/dbraw/zinc/02/98/81/588029881.db2.gz XVERKKRMLKNRQY-LLVKDONJSA-N 2 2 245.367 -0.066 20 0 BBADLP CCCCCCNC(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000842475932 588029879 /nfs/dbraw/zinc/02/98/79/588029879.db2.gz XVERKKRMLKNRQY-LLVKDONJSA-N 2 2 245.367 -0.066 20 0 BBADLP CCCCCCNC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000842475933 588029653 /nfs/dbraw/zinc/02/96/53/588029653.db2.gz XVERKKRMLKNRQY-NSHDSACASA-N 2 2 245.367 -0.066 20 0 BBADLP CCCCCCNC(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000842475933 588029651 /nfs/dbraw/zinc/02/96/51/588029651.db2.gz XVERKKRMLKNRQY-NSHDSACASA-N 2 2 245.367 -0.066 20 0 BBADLP CCN(OC)C(=O)C[NH2+]Cc1c[nH+]cn1C ZINC000842769748 588061704 /nfs/dbraw/zinc/06/17/04/588061704.db2.gz UHRFLZBILCIEFH-UHFFFAOYSA-N 2 2 226.280 -0.080 20 0 BBADLP CC[N@@H+](CCO)CC[NH2+]C[C@@H](O)C1CC1 ZINC000843094281 588077178 /nfs/dbraw/zinc/07/71/78/588077178.db2.gz KFNUIEWQBVISLO-LLVKDONJSA-N 2 2 216.325 -0.339 20 0 BBADLP CC[N@H+](CCO)CC[NH2+]C[C@@H](O)C1CC1 ZINC000843094281 588077176 /nfs/dbraw/zinc/07/71/76/588077176.db2.gz KFNUIEWQBVISLO-LLVKDONJSA-N 2 2 216.325 -0.339 20 0 BBADLP CC[N@@H+](CCO)CC[NH2+]C[C@H](O)C1CC1 ZINC000843094284 588076781 /nfs/dbraw/zinc/07/67/81/588076781.db2.gz KFNUIEWQBVISLO-NSHDSACASA-N 2 2 216.325 -0.339 20 0 BBADLP CC[N@H+](CCO)CC[NH2+]C[C@H](O)C1CC1 ZINC000843094284 588076779 /nfs/dbraw/zinc/07/67/79/588076779.db2.gz KFNUIEWQBVISLO-NSHDSACASA-N 2 2 216.325 -0.339 20 0 BBADLP Cn1nnc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000843364426 588104454 /nfs/dbraw/zinc/10/44/54/588104454.db2.gz BVHHRXPEDJORIO-UHFFFAOYSA-N 2 2 236.323 -0.214 20 0 BBADLP Cn1nnc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000843364426 588104452 /nfs/dbraw/zinc/10/44/52/588104452.db2.gz BVHHRXPEDJORIO-UHFFFAOYSA-N 2 2 236.323 -0.214 20 0 BBADLP C[C@H]1CN(C(=O)C[NH2+]CC2([NH3+])CCC2)CCO1 ZINC000843368811 645285641 /nfs/dbraw/zinc/28/56/41/645285641.db2.gz ZAJVTGAYWPCLTF-JTQLQIEISA-N 2 2 241.335 -0.295 20 0 BBADLP C[C@@H]1CN(C(=O)C[NH2+]CC2([NH3+])CCC2)CCO1 ZINC000843368812 645284868 /nfs/dbraw/zinc/28/48/68/645284868.db2.gz ZAJVTGAYWPCLTF-SNVBAGLBSA-N 2 2 241.335 -0.295 20 0 BBADLP O=C(CO[C@H]1CCC[NH2+]C1)NCc1c[nH]c[nH+]1 ZINC000843494305 588115659 /nfs/dbraw/zinc/11/56/59/588115659.db2.gz QKWURKNUFVNUBV-JTQLQIEISA-N 2 2 238.291 -0.206 20 0 BBADLP O=C(CO[C@H]1CCC[NH2+]C1)NCc1c[nH+]c[nH]1 ZINC000843494305 588115658 /nfs/dbraw/zinc/11/56/58/588115658.db2.gz QKWURKNUFVNUBV-JTQLQIEISA-N 2 2 238.291 -0.206 20 0 BBADLP O=C(CO[C@@H]1CCC[NH2+]C1)NCc1c[nH]c[nH+]1 ZINC000843494307 588115445 /nfs/dbraw/zinc/11/54/45/588115445.db2.gz QKWURKNUFVNUBV-SNVBAGLBSA-N 2 2 238.291 -0.206 20 0 BBADLP O=C(CO[C@@H]1CCC[NH2+]C1)NCc1c[nH+]c[nH]1 ZINC000843494307 588115444 /nfs/dbraw/zinc/11/54/44/588115444.db2.gz QKWURKNUFVNUBV-SNVBAGLBSA-N 2 2 238.291 -0.206 20 0 BBADLP CC[NH2+]CC(=O)N1CC[NH+](CCOC)CC1 ZINC000844167671 588171365 /nfs/dbraw/zinc/17/13/65/588171365.db2.gz OHABKGISMFKDRM-UHFFFAOYSA-N 2 2 229.324 -0.614 20 0 BBADLP CC[NH2+]CC(=O)N1CC[NH+](CCOCC)CC1 ZINC000844169254 588171455 /nfs/dbraw/zinc/17/14/55/588171455.db2.gz UHEIFSAUEQDERO-UHFFFAOYSA-N 2 2 243.351 -0.223 20 0 BBADLP CC[NH2+]CC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000844178569 588171850 /nfs/dbraw/zinc/17/18/50/588171850.db2.gz BHTZFJKRDDGWNN-JTQLQIEISA-N 2 2 229.324 -0.567 20 0 BBADLP CC[NH2+]CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000844178569 588171849 /nfs/dbraw/zinc/17/18/49/588171849.db2.gz BHTZFJKRDDGWNN-JTQLQIEISA-N 2 2 229.324 -0.567 20 0 BBADLP CC[NH2+]CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000844178570 588171879 /nfs/dbraw/zinc/17/18/79/588171879.db2.gz BHTZFJKRDDGWNN-SNVBAGLBSA-N 2 2 229.324 -0.567 20 0 BBADLP CC[NH2+]CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000844178570 588171878 /nfs/dbraw/zinc/17/18/78/588171878.db2.gz BHTZFJKRDDGWNN-SNVBAGLBSA-N 2 2 229.324 -0.567 20 0 BBADLP CC[NH2+]CC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000844178584 588172347 /nfs/dbraw/zinc/17/23/47/588172347.db2.gz BXZPSHKTWREELR-UHFFFAOYSA-N 2 2 243.351 -0.177 20 0 BBADLP CC[NH2+]CC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000844178584 588172345 /nfs/dbraw/zinc/17/23/45/588172345.db2.gz BXZPSHKTWREELR-UHFFFAOYSA-N 2 2 243.351 -0.177 20 0 BBADLP CC[NH2+]CC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000844180418 588172177 /nfs/dbraw/zinc/17/21/77/588172177.db2.gz CWJRNXPHQSYMJS-UHFFFAOYSA-N 2 2 243.351 -0.177 20 0 BBADLP CC[NH2+]CC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000844180418 588172175 /nfs/dbraw/zinc/17/21/75/588172175.db2.gz CWJRNXPHQSYMJS-UHFFFAOYSA-N 2 2 243.351 -0.177 20 0 BBADLP CC[NH2+]CC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000844182775 588172454 /nfs/dbraw/zinc/17/24/54/588172454.db2.gz LXXYOXPKPUJFFA-GHMZBOCLSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[NH2+]CC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000844182776 588172563 /nfs/dbraw/zinc/17/25/63/588172563.db2.gz LXXYOXPKPUJFFA-MNOVXSKESA-N 2 2 243.351 -0.179 20 0 BBADLP CC[NH2+]CC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000844182777 588172556 /nfs/dbraw/zinc/17/25/56/588172556.db2.gz LXXYOXPKPUJFFA-QWRGUYRKSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[NH2+]CC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000844182778 588172236 /nfs/dbraw/zinc/17/22/36/588172236.db2.gz LXXYOXPKPUJFFA-WDEREUQCSA-N 2 2 243.351 -0.179 20 0 BBADLP C[N@@H+](CCC[NH3+])CC(=O)NCc1ccccn1 ZINC000844218537 588173810 /nfs/dbraw/zinc/17/38/10/588173810.db2.gz BZZBHFZAISIGGF-UHFFFAOYSA-N 2 2 236.319 -0.022 20 0 BBADLP C[N@H+](CCC[NH3+])CC(=O)NCc1ccccn1 ZINC000844218537 588173809 /nfs/dbraw/zinc/17/38/09/588173809.db2.gz BZZBHFZAISIGGF-UHFFFAOYSA-N 2 2 236.319 -0.022 20 0 BBADLP Cc1cc(C)n(CC[N@@H+](CC[NH3+])CCO)n1 ZINC000844222484 588174423 /nfs/dbraw/zinc/17/44/23/588174423.db2.gz GRHPGSGODLKMII-UHFFFAOYSA-N 2 2 226.324 -0.247 20 0 BBADLP Cc1cc(C)n(CC[N@H+](CC[NH3+])CCO)n1 ZINC000844222484 588174422 /nfs/dbraw/zinc/17/44/22/588174422.db2.gz GRHPGSGODLKMII-UHFFFAOYSA-N 2 2 226.324 -0.247 20 0 BBADLP CC(=O)CC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000844378362 588188558 /nfs/dbraw/zinc/18/85/58/588188558.db2.gz KTKPFSSRBXIBNF-UHFFFAOYSA-N 2 2 241.335 -0.329 20 0 BBADLP CC(=O)CC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000844378362 588188556 /nfs/dbraw/zinc/18/85/56/588188556.db2.gz KTKPFSSRBXIBNF-UHFFFAOYSA-N 2 2 241.335 -0.329 20 0 BBADLP CCON(C)C(=O)C[NH2+]Cc1c[nH+]cn1C ZINC000846063710 588255106 /nfs/dbraw/zinc/25/51/06/588255106.db2.gz WLQNEFGYUQGDKM-UHFFFAOYSA-N 2 2 226.280 -0.080 20 0 BBADLP CC[N@@H+](CC(=O)NC)C[C@@](C)(O)C[NH2+]C ZINC000846218641 588260810 /nfs/dbraw/zinc/26/08/10/588260810.db2.gz QIQYLOHVNAPRPU-JTQLQIEISA-N 2 2 217.313 -0.975 20 0 BBADLP CC[N@H+](CC(=O)NC)C[C@@](C)(O)C[NH2+]C ZINC000846218641 588260809 /nfs/dbraw/zinc/26/08/09/588260809.db2.gz QIQYLOHVNAPRPU-JTQLQIEISA-N 2 2 217.313 -0.975 20 0 BBADLP CC[N@@H+](CC(=O)NC)C[C@](C)(O)C[NH2+]C ZINC000846218659 588260913 /nfs/dbraw/zinc/26/09/13/588260913.db2.gz QIQYLOHVNAPRPU-SNVBAGLBSA-N 2 2 217.313 -0.975 20 0 BBADLP CC[N@H+](CC(=O)NC)C[C@](C)(O)C[NH2+]C ZINC000846218659 588260912 /nfs/dbraw/zinc/26/09/12/588260912.db2.gz QIQYLOHVNAPRPU-SNVBAGLBSA-N 2 2 217.313 -0.975 20 0 BBADLP [NH3+]CCCCCC[N@@H+](CC[NH3+])CCO ZINC000846219438 588260628 /nfs/dbraw/zinc/26/06/28/588260628.db2.gz BBJFFDWYKJWDBN-UHFFFAOYSA-N 3 2 203.330 -0.242 20 0 BBADLP [NH3+]CCCCCC[N@H+](CC[NH3+])CCO ZINC000846219438 588260627 /nfs/dbraw/zinc/26/06/27/588260627.db2.gz BBJFFDWYKJWDBN-UHFFFAOYSA-N 3 2 203.330 -0.242 20 0 BBADLP CC(C)OC(=O)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000846668320 588281658 /nfs/dbraw/zinc/28/16/58/588281658.db2.gz KRGBRHBDHWVERW-SECBINFHSA-N 2 2 245.323 -0.667 20 0 BBADLP CC(C)OC(=O)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000846668322 588281676 /nfs/dbraw/zinc/28/16/76/588281676.db2.gz KRGBRHBDHWVERW-VIFPVBQESA-N 2 2 245.323 -0.667 20 0 BBADLP CCOC(=O)[C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000846668789 588281815 /nfs/dbraw/zinc/28/18/15/588281815.db2.gz NPMOWZQGJGKUBY-BDAKNGLRSA-N 2 2 245.323 -0.667 20 0 BBADLP CCOC(=O)[C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000846668790 588281780 /nfs/dbraw/zinc/28/17/80/588281780.db2.gz NPMOWZQGJGKUBY-DTWKUNHWSA-N 2 2 245.323 -0.667 20 0 BBADLP CCOC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000846668791 588281871 /nfs/dbraw/zinc/28/18/71/588281871.db2.gz NPMOWZQGJGKUBY-IUCAKERBSA-N 2 2 245.323 -0.667 20 0 BBADLP CCOC(=O)[C@@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000846668792 588281817 /nfs/dbraw/zinc/28/18/17/588281817.db2.gz NPMOWZQGJGKUBY-RKDXNWHRSA-N 2 2 245.323 -0.667 20 0 BBADLP CC(C)C[C@@H](O)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000846670026 582663626 /nfs/dbraw/zinc/66/36/26/582663626.db2.gz AAJKXLQRBMHJKI-GHMZBOCLSA-N 2 2 245.367 -0.211 20 0 BBADLP CC(C)C[C@@H](O)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000846670033 582663704 /nfs/dbraw/zinc/66/37/04/582663704.db2.gz AAJKXLQRBMHJKI-MNOVXSKESA-N 2 2 245.367 -0.211 20 0 BBADLP CC(C)C[C@H](O)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000846670035 582663692 /nfs/dbraw/zinc/66/36/92/582663692.db2.gz AAJKXLQRBMHJKI-QWRGUYRKSA-N 2 2 245.367 -0.211 20 0 BBADLP CC(C)C[C@H](O)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000846670066 582663674 /nfs/dbraw/zinc/66/36/74/582663674.db2.gz AAJKXLQRBMHJKI-WDEREUQCSA-N 2 2 245.367 -0.211 20 0 BBADLP CCN(CC(=O)OC)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000846677678 588282229 /nfs/dbraw/zinc/28/22/29/588282229.db2.gz QNPLOVIQEGXXKI-SECBINFHSA-N 2 2 245.323 -0.713 20 0 BBADLP CCN(CC(=O)OC)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000846677679 588282226 /nfs/dbraw/zinc/28/22/26/588282226.db2.gz QNPLOVIQEGXXKI-VIFPVBQESA-N 2 2 245.323 -0.713 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(C(N)=O)CCCC1 ZINC000846830562 588291457 /nfs/dbraw/zinc/29/14/57/588291457.db2.gz ZKXKCALLSKYYNR-JTQLQIEISA-N 2 2 243.351 -0.313 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(C(N)=O)CCCC1 ZINC000846830562 588291456 /nfs/dbraw/zinc/29/14/56/588291456.db2.gz ZKXKCALLSKYYNR-JTQLQIEISA-N 2 2 243.351 -0.313 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(C(N)=O)CCCC1 ZINC000846830564 588291604 /nfs/dbraw/zinc/29/16/04/588291604.db2.gz ZKXKCALLSKYYNR-SNVBAGLBSA-N 2 2 243.351 -0.313 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH2+]C1(C(N)=O)CCCC1 ZINC000846830564 588291603 /nfs/dbraw/zinc/29/16/03/588291603.db2.gz ZKXKCALLSKYYNR-SNVBAGLBSA-N 2 2 243.351 -0.313 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000846869255 588294497 /nfs/dbraw/zinc/29/44/97/588294497.db2.gz WCRMJTOBHGIEIU-SDDRHHMPSA-N 2 2 228.336 -0.387 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000846869255 588294496 /nfs/dbraw/zinc/29/44/96/588294496.db2.gz WCRMJTOBHGIEIU-SDDRHHMPSA-N 2 2 228.336 -0.387 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C[C@]2(CO)C1 ZINC000846869255 588294495 /nfs/dbraw/zinc/29/44/95/588294495.db2.gz WCRMJTOBHGIEIU-SDDRHHMPSA-N 2 2 228.336 -0.387 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C[C@]2(CO)C1 ZINC000846869255 588294494 /nfs/dbraw/zinc/29/44/94/588294494.db2.gz WCRMJTOBHGIEIU-SDDRHHMPSA-N 2 2 228.336 -0.387 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000846869257 588294330 /nfs/dbraw/zinc/29/43/30/588294330.db2.gz WCRMJTOBHGIEIU-WOPDTQHZSA-N 2 2 228.336 -0.387 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000846869257 588294329 /nfs/dbraw/zinc/29/43/29/588294329.db2.gz WCRMJTOBHGIEIU-WOPDTQHZSA-N 2 2 228.336 -0.387 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2C[C@@]2(CO)C1 ZINC000846869257 588294328 /nfs/dbraw/zinc/29/43/28/588294328.db2.gz WCRMJTOBHGIEIU-WOPDTQHZSA-N 2 2 228.336 -0.387 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2C[C@@]2(CO)C1 ZINC000846869257 588294327 /nfs/dbraw/zinc/29/43/27/588294327.db2.gz WCRMJTOBHGIEIU-WOPDTQHZSA-N 2 2 228.336 -0.387 20 0 BBADLP C[S@](=O)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000846875720 588294700 /nfs/dbraw/zinc/29/47/00/588294700.db2.gz JKUHXMUHFBUKCS-INIZCTEOSA-N 2 2 242.348 -0.090 20 0 BBADLP C[S@@](=O)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000846875721 588294788 /nfs/dbraw/zinc/29/47/88/588294788.db2.gz JKUHXMUHFBUKCS-MRXNPFEDSA-N 2 2 242.348 -0.090 20 0 BBADLP c1c[nH+]c(N2CC[NH+](CC3OCCO3)CC2)[nH]1 ZINC000846877253 588294613 /nfs/dbraw/zinc/29/46/13/588294613.db2.gz IYIQMOLIWRFJHM-UHFFFAOYSA-N 2 2 238.291 -0.095 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCN(C=O)CC1 ZINC000846915892 588296472 /nfs/dbraw/zinc/29/64/72/588296472.db2.gz ZVPIMANHFRLXFW-GFCCVEGCSA-N 2 2 243.351 -0.537 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(C=O)CC1 ZINC000846915892 588296471 /nfs/dbraw/zinc/29/64/71/588296471.db2.gz ZVPIMANHFRLXFW-GFCCVEGCSA-N 2 2 243.351 -0.537 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(C=O)CC1 ZINC000846915892 588296470 /nfs/dbraw/zinc/29/64/70/588296470.db2.gz ZVPIMANHFRLXFW-GFCCVEGCSA-N 2 2 243.351 -0.537 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCN(C=O)CC1 ZINC000846915892 588296469 /nfs/dbraw/zinc/29/64/69/588296469.db2.gz ZVPIMANHFRLXFW-GFCCVEGCSA-N 2 2 243.351 -0.537 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCN(C=O)CC1 ZINC000846915893 588296482 /nfs/dbraw/zinc/29/64/82/588296482.db2.gz ZVPIMANHFRLXFW-LBPRGKRZSA-N 2 2 243.351 -0.537 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCN(C=O)CC1 ZINC000846915893 588296481 /nfs/dbraw/zinc/29/64/81/588296481.db2.gz ZVPIMANHFRLXFW-LBPRGKRZSA-N 2 2 243.351 -0.537 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCN(C=O)CC1 ZINC000846915893 588296480 /nfs/dbraw/zinc/29/64/80/588296480.db2.gz ZVPIMANHFRLXFW-LBPRGKRZSA-N 2 2 243.351 -0.537 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCN(C=O)CC1 ZINC000846915893 588296479 /nfs/dbraw/zinc/29/64/79/588296479.db2.gz ZVPIMANHFRLXFW-LBPRGKRZSA-N 2 2 243.351 -0.537 20 0 BBADLP OCC(CO)[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000846941585 588297901 /nfs/dbraw/zinc/29/79/01/588297901.db2.gz SUBPJVRDJNMWTD-UHFFFAOYSA-N 2 2 248.286 -0.290 20 0 BBADLP C[C@@H](C[NH3+])NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000848423156 588383335 /nfs/dbraw/zinc/38/33/35/588383335.db2.gz YTEICGOWAVITRB-DTWKUNHWSA-N 2 2 222.292 -0.091 20 0 BBADLP C[C@@H](C[NH3+])NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000848423157 588382760 /nfs/dbraw/zinc/38/27/60/588382760.db2.gz YTEICGOWAVITRB-IUCAKERBSA-N 2 2 222.292 -0.091 20 0 BBADLP COCC[N@@H+](C)CCNC(=[NH2+])N1CCC1 ZINC000849000632 588430954 /nfs/dbraw/zinc/43/09/54/588430954.db2.gz NNHJYSACLHAITO-UHFFFAOYSA-N 2 2 214.313 -0.205 20 0 BBADLP COCC[N@H+](C)CCNC(=[NH2+])N1CCC1 ZINC000849000632 588430953 /nfs/dbraw/zinc/43/09/53/588430953.db2.gz NNHJYSACLHAITO-UHFFFAOYSA-N 2 2 214.313 -0.205 20 0 BBADLP COCCNC(=[NH2+])NCC[N@@H+](C)CCOC ZINC000849000647 588430792 /nfs/dbraw/zinc/43/07/92/588430792.db2.gz PCGYHMXXBLSIHP-UHFFFAOYSA-N 2 2 232.328 -0.675 20 0 BBADLP COCCNC(=[NH2+])NCC[N@H+](C)CCOC ZINC000849000647 588430791 /nfs/dbraw/zinc/43/07/91/588430791.db2.gz PCGYHMXXBLSIHP-UHFFFAOYSA-N 2 2 232.328 -0.675 20 0 BBADLP COCCNC(=[NH2+])NCC[NH+]1CCSCC1 ZINC000849005454 588432729 /nfs/dbraw/zinc/43/27/29/588432729.db2.gz BZQIKTJFJRYKHO-UHFFFAOYSA-N 2 2 246.380 -0.204 20 0 BBADLP CN(C)C(=[NH2+])NCC[N@H+]1CCCOCC1 ZINC000849020983 588439004 /nfs/dbraw/zinc/43/90/04/588439004.db2.gz CQDAEYJJZDIIAP-UHFFFAOYSA-N 2 2 214.313 -0.205 20 0 BBADLP CN(C)C(=[NH2+])NCC[N@@H+]1CCCOCC1 ZINC000849020983 588439003 /nfs/dbraw/zinc/43/90/03/588439003.db2.gz CQDAEYJJZDIIAP-UHFFFAOYSA-N 2 2 214.313 -0.205 20 0 BBADLP [NH2+]=C(NCC[N@H+]1CCCOCC1)N1CCC1 ZINC000849021124 582828456 /nfs/dbraw/zinc/82/84/56/582828456.db2.gz RTZXXHXJVMOMEP-UHFFFAOYSA-N 2 2 226.324 -0.061 20 0 BBADLP [NH2+]=C(NCC[N@@H+]1CCCOCC1)N1CCC1 ZINC000849021124 582828455 /nfs/dbraw/zinc/82/84/55/582828455.db2.gz RTZXXHXJVMOMEP-UHFFFAOYSA-N 2 2 226.324 -0.061 20 0 BBADLP COCCNC(=[NH2+])NCc1c[nH+]cn1C ZINC000849029160 588441786 /nfs/dbraw/zinc/44/17/86/588441786.db2.gz JCRQMEOZTWZDND-UHFFFAOYSA-N 2 2 211.269 -0.320 20 0 BBADLP CNC(=[NH2+])NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000849037421 588445980 /nfs/dbraw/zinc/44/59/80/588445980.db2.gz FOKWGMDSSXSAFU-DTORHVGOSA-N 2 2 212.297 -0.407 20 0 BBADLP CNC(=[NH2+])NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000849037421 588445978 /nfs/dbraw/zinc/44/59/78/588445978.db2.gz FOKWGMDSSXSAFU-DTORHVGOSA-N 2 2 212.297 -0.407 20 0 BBADLP CCNC(=[NH2+])NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000849037607 588445850 /nfs/dbraw/zinc/44/58/50/588445850.db2.gz RTYVDWONQVGZHL-AOOOYVTPSA-N 2 2 226.324 -0.017 20 0 BBADLP CCNC(=[NH2+])NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000849037607 588445848 /nfs/dbraw/zinc/44/58/48/588445848.db2.gz RTYVDWONQVGZHL-AOOOYVTPSA-N 2 2 226.324 -0.017 20 0 BBADLP CN(C)C(=[NH2+])NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000849037656 582837866 /nfs/dbraw/zinc/83/78/66/582837866.db2.gz VAKFIWZUZXHBQW-AOOOYVTPSA-N 2 2 226.324 -0.064 20 0 BBADLP CN(C)C(=[NH2+])NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000849037656 582837863 /nfs/dbraw/zinc/83/78/63/582837863.db2.gz VAKFIWZUZXHBQW-AOOOYVTPSA-N 2 2 226.324 -0.064 20 0 BBADLP COCCNC(=[NH2+])NCCc1cn(C)c[nH+]1 ZINC000849040253 588447279 /nfs/dbraw/zinc/44/72/79/588447279.db2.gz OMZRJPBTCWTTQH-UHFFFAOYSA-N 2 2 225.296 -0.277 20 0 BBADLP Cn1c[nH+]c(CCNC(=[NH2+])N2CCOCC2)c1 ZINC000849040467 632032940 /nfs/dbraw/zinc/03/29/40/632032940.db2.gz WJKLBBNBXYXWMD-UHFFFAOYSA-N 2 2 237.307 -0.181 20 0 BBADLP C[C@H](CNC(N)=[NH2+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849048738 588451192 /nfs/dbraw/zinc/45/11/92/588451192.db2.gz JZBNUWGCLSQLKP-HLTSFMKQSA-N 2 2 214.313 -0.033 20 0 BBADLP C[C@H](CNC(N)=[NH2+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849048738 588451191 /nfs/dbraw/zinc/45/11/91/588451191.db2.gz JZBNUWGCLSQLKP-HLTSFMKQSA-N 2 2 214.313 -0.033 20 0 BBADLP C[C@@H](CNC(N)=[NH2+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849048739 588451055 /nfs/dbraw/zinc/45/10/55/588451055.db2.gz JZBNUWGCLSQLKP-XHNCKOQMSA-N 2 2 214.313 -0.033 20 0 BBADLP C[C@@H](CNC(N)=[NH2+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849048739 588451053 /nfs/dbraw/zinc/45/10/53/588451053.db2.gz JZBNUWGCLSQLKP-XHNCKOQMSA-N 2 2 214.313 -0.033 20 0 BBADLP CNC(=S)NCC[N@@H+](C)CCC[NH+](C)C ZINC000849279726 588469350 /nfs/dbraw/zinc/46/93/50/588469350.db2.gz GGCLABFNCOBAJI-UHFFFAOYSA-N 2 2 232.397 -0.036 20 0 BBADLP CNC(=S)NCC[N@H+](C)CCC[NH+](C)C ZINC000849279726 588469349 /nfs/dbraw/zinc/46/93/49/588469349.db2.gz GGCLABFNCOBAJI-UHFFFAOYSA-N 2 2 232.397 -0.036 20 0 BBADLP CC[NH2+]CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000851644048 588612813 /nfs/dbraw/zinc/61/28/13/588612813.db2.gz JMTAZJUOXKLORW-LLVKDONJSA-N 2 2 241.335 -0.471 20 0 BBADLP CC[NH2+]CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000851644052 588612921 /nfs/dbraw/zinc/61/29/21/588612921.db2.gz JMTAZJUOXKLORW-NSHDSACASA-N 2 2 241.335 -0.471 20 0 BBADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000851644782 588612931 /nfs/dbraw/zinc/61/29/31/588612931.db2.gz WVVDQVBCCNJZLO-GARJFASQSA-N 2 2 239.319 -0.733 20 0 BBADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000851644783 588612746 /nfs/dbraw/zinc/61/27/46/588612746.db2.gz WVVDQVBCCNJZLO-OUAUKWLOSA-N 2 2 239.319 -0.733 20 0 BBADLP C[NH2+]C[C@@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000851660436 588613642 /nfs/dbraw/zinc/61/36/42/588613642.db2.gz OMONOJHGKSKLSC-MRVPVSSYSA-N 2 2 225.296 -0.173 20 0 BBADLP C[NH2+]C[C@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000851660437 588613662 /nfs/dbraw/zinc/61/36/62/588613662.db2.gz OMONOJHGKSKLSC-QMMMGPOBSA-N 2 2 225.296 -0.173 20 0 BBADLP Cn1c[nH+]cc1CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000851660714 588613521 /nfs/dbraw/zinc/61/35/21/588613521.db2.gz XULIOVROQRDNJU-UHFFFAOYSA-N 2 2 249.318 -0.029 20 0 BBADLP C[N@H+]1CCN(C(=O)N[C@@H]2C=CCC2)[C@H](C[NH3+])C1 ZINC000851670687 588614312 /nfs/dbraw/zinc/61/43/12/588614312.db2.gz XFQLAFCJZDQZKO-GHMZBOCLSA-N 2 2 238.335 -0.011 20 0 BBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C=CCC2)[C@H](C[NH3+])C1 ZINC000851670687 588614311 /nfs/dbraw/zinc/61/43/11/588614311.db2.gz XFQLAFCJZDQZKO-GHMZBOCLSA-N 2 2 238.335 -0.011 20 0 BBADLP C[N@H+]1CCN(C(=O)N[C@@H]2C=CCC2)[C@@H](C[NH3+])C1 ZINC000851670688 588614393 /nfs/dbraw/zinc/61/43/93/588614393.db2.gz XFQLAFCJZDQZKO-MNOVXSKESA-N 2 2 238.335 -0.011 20 0 BBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C=CCC2)[C@@H](C[NH3+])C1 ZINC000851670688 588614392 /nfs/dbraw/zinc/61/43/92/588614392.db2.gz XFQLAFCJZDQZKO-MNOVXSKESA-N 2 2 238.335 -0.011 20 0 BBADLP C[N@H+]1CCN(C(=O)N[C@H]2C=CCC2)[C@@H](C[NH3+])C1 ZINC000851670689 588614284 /nfs/dbraw/zinc/61/42/84/588614284.db2.gz XFQLAFCJZDQZKO-QWRGUYRKSA-N 2 2 238.335 -0.011 20 0 BBADLP C[N@@H+]1CCN(C(=O)N[C@H]2C=CCC2)[C@@H](C[NH3+])C1 ZINC000851670689 588614283 /nfs/dbraw/zinc/61/42/83/588614283.db2.gz XFQLAFCJZDQZKO-QWRGUYRKSA-N 2 2 238.335 -0.011 20 0 BBADLP C[N@H+]1CCN(C(=O)N[C@H]2C=CCC2)[C@H](C[NH3+])C1 ZINC000851670690 588614165 /nfs/dbraw/zinc/61/41/65/588614165.db2.gz XFQLAFCJZDQZKO-WDEREUQCSA-N 2 2 238.335 -0.011 20 0 BBADLP C[N@@H+]1CCN(C(=O)N[C@H]2C=CCC2)[C@H](C[NH3+])C1 ZINC000851670690 588614164 /nfs/dbraw/zinc/61/41/64/588614164.db2.gz XFQLAFCJZDQZKO-WDEREUQCSA-N 2 2 238.335 -0.011 20 0 BBADLP O=C1C[C@H](C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CN1 ZINC000851988396 588652776 /nfs/dbraw/zinc/65/27/76/588652776.db2.gz MRDLQHKOZWEURQ-JTQLQIEISA-N 2 2 249.318 -0.332 20 0 BBADLP O=C1C[C@@H](C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CN1 ZINC000851988397 588652242 /nfs/dbraw/zinc/65/22/42/588652242.db2.gz MRDLQHKOZWEURQ-SNVBAGLBSA-N 2 2 249.318 -0.332 20 0 BBADLP [NH3+]C[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000852744198 588699121 /nfs/dbraw/zinc/69/91/21/588699121.db2.gz VEVNDMYVMHUIIC-GHMZBOCLSA-N 3 2 213.325 -0.355 20 0 BBADLP [NH3+]C[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000852744198 588699120 /nfs/dbraw/zinc/69/91/20/588699120.db2.gz VEVNDMYVMHUIIC-GHMZBOCLSA-N 3 2 213.325 -0.355 20 0 BBADLP [NH3+]C[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000852744199 588699086 /nfs/dbraw/zinc/69/90/86/588699086.db2.gz VEVNDMYVMHUIIC-MNOVXSKESA-N 3 2 213.325 -0.355 20 0 BBADLP [NH3+]C[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000852744199 588699085 /nfs/dbraw/zinc/69/90/85/588699085.db2.gz VEVNDMYVMHUIIC-MNOVXSKESA-N 3 2 213.325 -0.355 20 0 BBADLP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000852744200 588699080 /nfs/dbraw/zinc/69/90/80/588699080.db2.gz VEVNDMYVMHUIIC-QWRGUYRKSA-N 3 2 213.325 -0.355 20 0 BBADLP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000852744200 588699079 /nfs/dbraw/zinc/69/90/79/588699079.db2.gz VEVNDMYVMHUIIC-QWRGUYRKSA-N 3 2 213.325 -0.355 20 0 BBADLP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000852744201 588699070 /nfs/dbraw/zinc/69/90/70/588699070.db2.gz VEVNDMYVMHUIIC-WDEREUQCSA-N 3 2 213.325 -0.355 20 0 BBADLP [NH3+]C[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000852744201 588699069 /nfs/dbraw/zinc/69/90/69/588699069.db2.gz VEVNDMYVMHUIIC-WDEREUQCSA-N 3 2 213.325 -0.355 20 0 BBADLP [NH3+]CC[N@@H+](CCO)CCO[C@@H]1CC1(F)F ZINC000852746220 588698950 /nfs/dbraw/zinc/69/89/50/588698950.db2.gz GQZAFFWFHKPDQR-MRVPVSSYSA-N 2 2 224.251 -0.336 20 0 BBADLP [NH3+]CC[N@H+](CCO)CCO[C@@H]1CC1(F)F ZINC000852746220 588698949 /nfs/dbraw/zinc/69/89/49/588698949.db2.gz GQZAFFWFHKPDQR-MRVPVSSYSA-N 2 2 224.251 -0.336 20 0 BBADLP [NH3+]CC[N@@H+](CCO)CCO[C@H]1CC1(F)F ZINC000852746221 588699006 /nfs/dbraw/zinc/69/90/06/588699006.db2.gz GQZAFFWFHKPDQR-QMMMGPOBSA-N 2 2 224.251 -0.336 20 0 BBADLP [NH3+]CC[N@H+](CCO)CCO[C@H]1CC1(F)F ZINC000852746221 588699005 /nfs/dbraw/zinc/69/90/05/588699005.db2.gz GQZAFFWFHKPDQR-QMMMGPOBSA-N 2 2 224.251 -0.336 20 0 BBADLP Cn1c[nH+]cc1CCC[N@@H+](CC[NH3+])CCO ZINC000852746801 588696976 /nfs/dbraw/zinc/69/69/76/588696976.db2.gz PZVSSHKUKKORPY-UHFFFAOYSA-N 3 2 226.324 -0.394 20 0 BBADLP Cn1c[nH+]cc1CCC[N@H+](CC[NH3+])CCO ZINC000852746801 588696975 /nfs/dbraw/zinc/69/69/75/588696975.db2.gz PZVSSHKUKKORPY-UHFFFAOYSA-N 3 2 226.324 -0.394 20 0 BBADLP COC(=O)[C@@]1(F)CC[N@@H+](CCC[NH3+])C1 ZINC000852753224 645488161 /nfs/dbraw/zinc/48/81/61/645488161.db2.gz CKYDJGJCKFRMQR-SECBINFHSA-N 2 2 204.245 -0.078 20 0 BBADLP COC(=O)[C@@]1(F)CC[N@H+](CCC[NH3+])C1 ZINC000852753224 645488149 /nfs/dbraw/zinc/48/81/49/645488149.db2.gz CKYDJGJCKFRMQR-SECBINFHSA-N 2 2 204.245 -0.078 20 0 BBADLP COC(=O)[C@]1(F)CC[N@@H+](CCC[NH3+])C1 ZINC000852753225 645488713 /nfs/dbraw/zinc/48/87/13/645488713.db2.gz CKYDJGJCKFRMQR-VIFPVBQESA-N 2 2 204.245 -0.078 20 0 BBADLP COC(=O)[C@]1(F)CC[N@H+](CCC[NH3+])C1 ZINC000852753225 645488704 /nfs/dbraw/zinc/48/87/04/645488704.db2.gz CKYDJGJCKFRMQR-VIFPVBQESA-N 2 2 204.245 -0.078 20 0 BBADLP [NH3+]CC[N@@H+](CCc1cccs1)C[C@H](O)CO ZINC000852754074 588700708 /nfs/dbraw/zinc/70/07/08/588700708.db2.gz OEHVFKOCJYNTGC-JTQLQIEISA-N 2 2 244.360 -0.096 20 0 BBADLP [NH3+]CC[N@H+](CCc1cccs1)C[C@H](O)CO ZINC000852754074 588700707 /nfs/dbraw/zinc/70/07/07/588700707.db2.gz OEHVFKOCJYNTGC-JTQLQIEISA-N 2 2 244.360 -0.096 20 0 BBADLP [NH3+]CC[N@@H+](CCc1cccs1)C[C@@H](O)CO ZINC000852754075 588700389 /nfs/dbraw/zinc/70/03/89/588700389.db2.gz OEHVFKOCJYNTGC-SNVBAGLBSA-N 2 2 244.360 -0.096 20 0 BBADLP [NH3+]CC[N@H+](CCc1cccs1)C[C@@H](O)CO ZINC000852754075 588700388 /nfs/dbraw/zinc/70/03/88/588700388.db2.gz OEHVFKOCJYNTGC-SNVBAGLBSA-N 2 2 244.360 -0.096 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+](CCF)CCOC ZINC000852755301 588700497 /nfs/dbraw/zinc/70/04/97/588700497.db2.gz KZRRFRNMSWQXLA-JTQLQIEISA-N 2 2 222.304 -0.125 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+](CCF)CCOC ZINC000852755301 588700496 /nfs/dbraw/zinc/70/04/96/588700496.db2.gz KZRRFRNMSWQXLA-JTQLQIEISA-N 2 2 222.304 -0.125 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@@H+](CCF)CCOC ZINC000852755302 588700761 /nfs/dbraw/zinc/70/07/61/588700761.db2.gz KZRRFRNMSWQXLA-SNVBAGLBSA-N 2 2 222.304 -0.125 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@H+](CCF)CCOC ZINC000852755302 588700760 /nfs/dbraw/zinc/70/07/60/588700760.db2.gz KZRRFRNMSWQXLA-SNVBAGLBSA-N 2 2 222.304 -0.125 20 0 BBADLP C[C@@H]([NH3+])C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852755534 588700425 /nfs/dbraw/zinc/70/04/25/588700425.db2.gz RRHZTLKACDPYTA-BDAKNGLRSA-N 2 2 213.281 -0.140 20 0 BBADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852755534 588700424 /nfs/dbraw/zinc/70/04/24/588700424.db2.gz RRHZTLKACDPYTA-BDAKNGLRSA-N 2 2 213.281 -0.140 20 0 BBADLP C[C@H]([NH3+])C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852755535 588700415 /nfs/dbraw/zinc/70/04/15/588700415.db2.gz RRHZTLKACDPYTA-DTWKUNHWSA-N 2 2 213.281 -0.140 20 0 BBADLP C[C@H]([NH3+])C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852755535 588700414 /nfs/dbraw/zinc/70/04/14/588700414.db2.gz RRHZTLKACDPYTA-DTWKUNHWSA-N 2 2 213.281 -0.140 20 0 BBADLP C[C@H]([NH3+])C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852755536 588700561 /nfs/dbraw/zinc/70/05/61/588700561.db2.gz RRHZTLKACDPYTA-IUCAKERBSA-N 2 2 213.281 -0.140 20 0 BBADLP C[C@H]([NH3+])C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852755536 588700560 /nfs/dbraw/zinc/70/05/60/588700560.db2.gz RRHZTLKACDPYTA-IUCAKERBSA-N 2 2 213.281 -0.140 20 0 BBADLP C[C@@H]([NH3+])C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852755537 588700494 /nfs/dbraw/zinc/70/04/94/588700494.db2.gz RRHZTLKACDPYTA-RKDXNWHRSA-N 2 2 213.281 -0.140 20 0 BBADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852755537 588700493 /nfs/dbraw/zinc/70/04/93/588700493.db2.gz RRHZTLKACDPYTA-RKDXNWHRSA-N 2 2 213.281 -0.140 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CCN(C)C(=O)OC ZINC000852759209 588700527 /nfs/dbraw/zinc/70/05/27/588700527.db2.gz LEROGNHTCQCGCM-LLVKDONJSA-N 2 2 247.339 -0.413 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)CCN(C)C(=O)OC ZINC000852759209 588700526 /nfs/dbraw/zinc/70/05/26/588700526.db2.gz LEROGNHTCQCGCM-LLVKDONJSA-N 2 2 247.339 -0.413 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)CCN(C)C(=O)OC ZINC000852759210 588700564 /nfs/dbraw/zinc/70/05/64/588700564.db2.gz LEROGNHTCQCGCM-NSHDSACASA-N 2 2 247.339 -0.413 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+](C)CCN(C)C(=O)OC ZINC000852759210 588700563 /nfs/dbraw/zinc/70/05/63/588700563.db2.gz LEROGNHTCQCGCM-NSHDSACASA-N 2 2 247.339 -0.413 20 0 BBADLP Nc1ccc(NC(=O)C2=NO[C@@H](C[NH3+])C2)c[nH+]1 ZINC000852797209 588703719 /nfs/dbraw/zinc/70/37/19/588703719.db2.gz ZCBMVUJTBZSONR-SSDOTTSWSA-N 2 2 235.247 -0.294 20 0 BBADLP Nc1ccc(NC(=O)C2=NO[C@H](C[NH3+])C2)c[nH+]1 ZINC000852797210 588703745 /nfs/dbraw/zinc/70/37/45/588703745.db2.gz ZCBMVUJTBZSONR-ZETCQYMHSA-N 2 2 235.247 -0.294 20 0 BBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000852847604 588708112 /nfs/dbraw/zinc/70/81/12/588708112.db2.gz VMXOOBSEZIEGFF-MNOVXSKESA-N 3 2 242.367 -0.667 20 0 BBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000852847604 588708111 /nfs/dbraw/zinc/70/81/11/588708111.db2.gz VMXOOBSEZIEGFF-MNOVXSKESA-N 3 2 242.367 -0.667 20 0 BBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@@H]2[NH3+])[C@H](C)CO1 ZINC000852847908 588708104 /nfs/dbraw/zinc/70/81/04/588708104.db2.gz YPYQUEDHKAXDLO-DBIOUOCHSA-N 2 2 241.335 -0.441 20 0 BBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@H]2[NH3+])[C@H](C)CO1 ZINC000852847908 588708103 /nfs/dbraw/zinc/70/81/03/588708103.db2.gz YPYQUEDHKAXDLO-DBIOUOCHSA-N 2 2 241.335 -0.441 20 0 BBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@@H]2[NH3+])[C@@H](C)CO1 ZINC000852847909 588707849 /nfs/dbraw/zinc/70/78/49/588707849.db2.gz YPYQUEDHKAXDLO-MMWGEVLESA-N 2 2 241.335 -0.441 20 0 BBADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@H]2[NH3+])[C@@H](C)CO1 ZINC000852847909 588707848 /nfs/dbraw/zinc/70/78/48/588707848.db2.gz YPYQUEDHKAXDLO-MMWGEVLESA-N 2 2 241.335 -0.441 20 0 BBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000852847910 588707853 /nfs/dbraw/zinc/70/78/53/588707853.db2.gz YPYQUEDHKAXDLO-YTWAJWBKSA-N 2 2 241.335 -0.441 20 0 BBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000852847910 588707852 /nfs/dbraw/zinc/70/78/52/588707852.db2.gz YPYQUEDHKAXDLO-YTWAJWBKSA-N 2 2 241.335 -0.441 20 0 BBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@@H]2[NH3+])[C@@H](C)CO1 ZINC000852847911 588708089 /nfs/dbraw/zinc/70/80/89/588708089.db2.gz YPYQUEDHKAXDLO-ZDCRXTMVSA-N 2 2 241.335 -0.441 20 0 BBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@H]2[NH3+])[C@@H](C)CO1 ZINC000852847911 588708088 /nfs/dbraw/zinc/70/80/88/588708088.db2.gz YPYQUEDHKAXDLO-ZDCRXTMVSA-N 2 2 241.335 -0.441 20 0 BBADLP COCCN(CCF)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000852850847 588708188 /nfs/dbraw/zinc/70/81/88/588708188.db2.gz JZYVPUHHWKRYLR-JTQLQIEISA-N 2 2 249.330 -0.290 20 0 BBADLP COCCN(CCF)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000852850848 588708244 /nfs/dbraw/zinc/70/82/44/588708244.db2.gz JZYVPUHHWKRYLR-SNVBAGLBSA-N 2 2 249.330 -0.290 20 0 BBADLP [NH3+]C[C@H]1CC(C(=O)NCCn2cc[nH+]c2)=NO1 ZINC000852856139 583021148 /nfs/dbraw/zinc/02/11/48/583021148.db2.gz UTXBVCFPTNNVOP-MRVPVSSYSA-N 2 2 237.263 -0.897 20 0 BBADLP [NH3+]C[C@@H]1CC(C(=O)NCCn2cc[nH+]c2)=NO1 ZINC000852856145 583021118 /nfs/dbraw/zinc/02/11/18/583021118.db2.gz UTXBVCFPTNNVOP-QMMMGPOBSA-N 2 2 237.263 -0.897 20 0 BBADLP Cc1c[nH+]ccc1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852866097 588709480 /nfs/dbraw/zinc/70/94/80/588709480.db2.gz RZBSVTUBRDLMFS-MRVPVSSYSA-N 2 2 234.259 -0.146 20 0 BBADLP Cc1c[nH+]ccc1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852866100 588709404 /nfs/dbraw/zinc/70/94/04/588709404.db2.gz RZBSVTUBRDLMFS-QMMMGPOBSA-N 2 2 234.259 -0.146 20 0 BBADLP Cc1[nH+]c[nH]c1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852872346 588709706 /nfs/dbraw/zinc/70/97/06/588709706.db2.gz LTBAKPRYIVZRBV-SSDOTTSWSA-N 2 2 237.263 -0.562 20 0 BBADLP Cc1[nH+]c[nH]c1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852872347 588709691 /nfs/dbraw/zinc/70/96/91/588709691.db2.gz LTBAKPRYIVZRBV-ZETCQYMHSA-N 2 2 237.263 -0.562 20 0 BBADLP CC[NH2+]CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000852902388 588712634 /nfs/dbraw/zinc/71/26/34/588712634.db2.gz FABMGHHOZIXOGO-UHFFFAOYSA-N 3 2 244.383 -0.404 20 0 BBADLP CC[NH2+]CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000852902388 588712633 /nfs/dbraw/zinc/71/26/33/588712633.db2.gz FABMGHHOZIXOGO-UHFFFAOYSA-N 3 2 244.383 -0.404 20 0 BBADLP CC[NH2+]CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000852902882 588712508 /nfs/dbraw/zinc/71/25/08/588712508.db2.gz PKCRLBZSYKYAAA-GHMZBOCLSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[NH2+]CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000852902882 588712507 /nfs/dbraw/zinc/71/25/07/588712507.db2.gz PKCRLBZSYKYAAA-GHMZBOCLSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[NH2+]CC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000852902884 588712514 /nfs/dbraw/zinc/71/25/14/588712514.db2.gz PKCRLBZSYKYAAA-MNOVXSKESA-N 2 2 243.351 -0.179 20 0 BBADLP CC[NH2+]CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000852902884 588712513 /nfs/dbraw/zinc/71/25/13/588712513.db2.gz PKCRLBZSYKYAAA-MNOVXSKESA-N 2 2 243.351 -0.179 20 0 BBADLP CC[NH2+]CC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000852902885 588712687 /nfs/dbraw/zinc/71/26/87/588712687.db2.gz PKCRLBZSYKYAAA-QWRGUYRKSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[NH2+]CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000852902885 588712686 /nfs/dbraw/zinc/71/26/86/588712686.db2.gz PKCRLBZSYKYAAA-QWRGUYRKSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[NH2+]CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000852902886 588712580 /nfs/dbraw/zinc/71/25/80/588712580.db2.gz PKCRLBZSYKYAAA-WDEREUQCSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[NH2+]CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000852902886 588712579 /nfs/dbraw/zinc/71/25/79/588712579.db2.gz PKCRLBZSYKYAAA-WDEREUQCSA-N 2 2 243.351 -0.179 20 0 BBADLP Cn1c[nH+]cc1CCO[NH+]=C(N)CCO ZINC000853686817 588756190 /nfs/dbraw/zinc/75/61/90/588756190.db2.gz FVCJWSDTZDZXSG-UHFFFAOYSA-N 2 2 212.253 -0.157 20 0 BBADLP C[NH+]1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000854118479 588775105 /nfs/dbraw/zinc/77/51/05/588775105.db2.gz WKBDQYHUTMEJFW-UHFFFAOYSA-N 2 2 208.265 -0.274 20 0 BBADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1N[C@H]1CC[NH2+]C1 ZINC000854221052 588780364 /nfs/dbraw/zinc/78/03/64/588780364.db2.gz FMKBHQWLCQQQBS-AEJSXWLSSA-N 2 2 227.308 -0.769 20 0 BBADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1N[C@H]1CC[NH2+]C1 ZINC000854221053 588780200 /nfs/dbraw/zinc/78/02/00/588780200.db2.gz FMKBHQWLCQQQBS-GUBZILKMSA-N 2 2 227.308 -0.769 20 0 BBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[NH2+]C1 ZINC000854221054 588780118 /nfs/dbraw/zinc/78/01/18/588780118.db2.gz FMKBHQWLCQQQBS-IVZWLZJFSA-N 2 2 227.308 -0.769 20 0 BBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H]1CC[NH2+]C1 ZINC000854221055 588780357 /nfs/dbraw/zinc/78/03/57/588780357.db2.gz FMKBHQWLCQQQBS-LPEHRKFASA-N 2 2 227.308 -0.769 20 0 BBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)C[NH2+]C ZINC000854231671 588781614 /nfs/dbraw/zinc/78/16/14/588781614.db2.gz JEOCPZBWWUVSPZ-IVZWLZJFSA-N 2 2 229.324 -0.523 20 0 BBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H](C)C[NH2+]C ZINC000854231672 588781315 /nfs/dbraw/zinc/78/13/15/588781315.db2.gz JEOCPZBWWUVSPZ-KXUCPTDWSA-N 2 2 229.324 -0.523 20 0 BBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H](C)C[NH2+]C ZINC000854231673 588781358 /nfs/dbraw/zinc/78/13/58/588781358.db2.gz JEOCPZBWWUVSPZ-LPEHRKFASA-N 2 2 229.324 -0.523 20 0 BBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@H](C)C[NH2+]C ZINC000854231674 588781500 /nfs/dbraw/zinc/78/15/00/588781500.db2.gz JEOCPZBWWUVSPZ-OPRDCNLKSA-N 2 2 229.324 -0.523 20 0 BBADLP Cn1c[nH+]cc1CCC(=O)NOCC[NH+](C)C ZINC000854944967 588817526 /nfs/dbraw/zinc/81/75/26/588817526.db2.gz DZADQSZCAWISAV-UHFFFAOYSA-N 2 2 240.307 -0.038 20 0 BBADLP Cn1c[nH+]cc1CC(=O)NOCC[NH+](C)C ZINC000854945329 588817961 /nfs/dbraw/zinc/81/79/61/588817961.db2.gz GUEMJDFZWUDRLF-UHFFFAOYSA-N 2 2 226.280 -0.428 20 0 BBADLP C[NH+](C)CCONC(=O)CC[NH+]1CCOCC1 ZINC000854945360 588818020 /nfs/dbraw/zinc/81/80/20/588818020.db2.gz HYNHBNZVVNHZKB-UHFFFAOYSA-N 2 2 245.323 -0.682 20 0 BBADLP C[NH+](C)CCONC(=O)CCc1[nH]cc[nH+]1 ZINC000854945376 583095856 /nfs/dbraw/zinc/09/58/56/583095856.db2.gz NZINFSUTDJVAOV-UHFFFAOYSA-N 2 2 226.280 -0.048 20 0 BBADLP C[NH+](C)CCONC(=O)CCc1c[nH]c[nH+]1 ZINC000854945666 588818011 /nfs/dbraw/zinc/81/80/11/588818011.db2.gz WPBKNTPJKHSSAX-UHFFFAOYSA-N 2 2 226.280 -0.048 20 0 BBADLP C[NH+](C)CCONC(=O)CCc1c[nH+]c[nH]1 ZINC000854945666 588818010 /nfs/dbraw/zinc/81/80/10/588818010.db2.gz WPBKNTPJKHSSAX-UHFFFAOYSA-N 2 2 226.280 -0.048 20 0 BBADLP CN(CC1C[NH+](C)C1)C(=O)Cc1[nH]cc[nH+]1 ZINC000855642467 588843009 /nfs/dbraw/zinc/84/30/09/588843009.db2.gz ZAGRPHWJGWYFES-UHFFFAOYSA-N 2 2 222.292 -0.028 20 0 BBADLP CCn1cc(CC[N@@H+](CC[NH3+])CCO)cn1 ZINC000857084412 588886687 /nfs/dbraw/zinc/88/66/87/588886687.db2.gz SADSGAZOQFSTBT-UHFFFAOYSA-N 2 2 226.324 -0.302 20 0 BBADLP CCn1cc(CC[N@H+](CC[NH3+])CCO)cn1 ZINC000857084412 588886686 /nfs/dbraw/zinc/88/66/86/588886686.db2.gz SADSGAZOQFSTBT-UHFFFAOYSA-N 2 2 226.324 -0.302 20 0 BBADLP C[C@H]([NH3+])CCNC(=O)NCc1[nH+]ccn1C ZINC000857101721 588887439 /nfs/dbraw/zinc/88/74/39/588887439.db2.gz PSWKOJINUFDLMD-QMMMGPOBSA-N 2 2 225.296 -0.043 20 0 BBADLP C[C@H]([NH3+])CCNC(=O)NCc1c[nH+]cn1C ZINC000857104181 588887667 /nfs/dbraw/zinc/88/76/67/588887667.db2.gz NNTVTPBSPNIJKY-QMMMGPOBSA-N 2 2 225.296 -0.043 20 0 BBADLP C[C@H]([NH3+])CCNC(=O)NCCc1cn(C)c[nH+]1 ZINC000857104601 588888103 /nfs/dbraw/zinc/88/81/03/588888103.db2.gz YOWGQXKRBDPWBX-VIFPVBQESA-N 2 2 239.323 -0.001 20 0 BBADLP CON(C)C(=O)[C@H](C)[NH2+]Cc1c[nH+]cn1C ZINC000858320551 588944938 /nfs/dbraw/zinc/94/49/38/588944938.db2.gz XMPKLADLLLNPKJ-QMMMGPOBSA-N 2 2 226.280 -0.082 20 0 BBADLP CON(C)C(=O)[C@@H](C)[NH2+]Cc1c[nH+]cn1C ZINC000858325382 588945574 /nfs/dbraw/zinc/94/55/74/588945574.db2.gz XMPKLADLLLNPKJ-MRVPVSSYSA-N 2 2 226.280 -0.082 20 0 BBADLP C[C@H](CCO)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000858466471 588957661 /nfs/dbraw/zinc/95/76/61/588957661.db2.gz FRAHEXPLHYPLSA-MNOVXSKESA-N 2 2 243.351 -0.313 20 0 BBADLP C[C@H](CCO)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000858466471 588957659 /nfs/dbraw/zinc/95/76/59/588957659.db2.gz FRAHEXPLHYPLSA-MNOVXSKESA-N 2 2 243.351 -0.313 20 0 BBADLP C[C@@H](CCO)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000858466472 588957582 /nfs/dbraw/zinc/95/75/82/588957582.db2.gz FRAHEXPLHYPLSA-QWRGUYRKSA-N 2 2 243.351 -0.313 20 0 BBADLP C[C@@H](CCO)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000858466472 588957581 /nfs/dbraw/zinc/95/75/81/588957581.db2.gz FRAHEXPLHYPLSA-QWRGUYRKSA-N 2 2 243.351 -0.313 20 0 BBADLP C[C@H](CCO)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000858549549 588964778 /nfs/dbraw/zinc/96/47/78/588964778.db2.gz WZGZPXNPNCNXOB-NXEZZACHSA-N 2 2 202.298 -0.587 20 0 BBADLP C[C@H](CCO)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000858549549 588964776 /nfs/dbraw/zinc/96/47/76/588964776.db2.gz WZGZPXNPNCNXOB-NXEZZACHSA-N 2 2 202.298 -0.587 20 0 BBADLP C[C@@H](CCO)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000858549550 588964610 /nfs/dbraw/zinc/96/46/10/588964610.db2.gz WZGZPXNPNCNXOB-VHSXEESVSA-N 2 2 202.298 -0.587 20 0 BBADLP C[C@@H](CCO)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000858549550 588964609 /nfs/dbraw/zinc/96/46/09/588964609.db2.gz WZGZPXNPNCNXOB-VHSXEESVSA-N 2 2 202.298 -0.587 20 0 BBADLP C[C@@H](CCO)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000858602348 588970854 /nfs/dbraw/zinc/97/08/54/588970854.db2.gz WZGZPXNPNCNXOB-UWVGGRQHSA-N 2 2 202.298 -0.587 20 0 BBADLP C[C@@H](CCO)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000858602348 588970852 /nfs/dbraw/zinc/97/08/52/588970852.db2.gz WZGZPXNPNCNXOB-UWVGGRQHSA-N 2 2 202.298 -0.587 20 0 BBADLP C[C@H](CCO)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000858602349 588970640 /nfs/dbraw/zinc/97/06/40/588970640.db2.gz WZGZPXNPNCNXOB-ZJUUUORDSA-N 2 2 202.298 -0.587 20 0 BBADLP C[C@H](CCO)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000858602349 588970639 /nfs/dbraw/zinc/97/06/39/588970639.db2.gz WZGZPXNPNCNXOB-ZJUUUORDSA-N 2 2 202.298 -0.587 20 0 BBADLP NC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000859669039 589053750 /nfs/dbraw/zinc/05/37/50/589053750.db2.gz CADMFUFGXFONQS-MNOVXSKESA-N 2 2 241.335 -0.607 20 0 BBADLP NC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000859669039 589053746 /nfs/dbraw/zinc/05/37/46/589053746.db2.gz CADMFUFGXFONQS-MNOVXSKESA-N 2 2 241.335 -0.607 20 0 BBADLP NC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000859669040 589053592 /nfs/dbraw/zinc/05/35/92/589053592.db2.gz CADMFUFGXFONQS-QWRGUYRKSA-N 2 2 241.335 -0.607 20 0 BBADLP NC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000859669040 589053591 /nfs/dbraw/zinc/05/35/91/589053591.db2.gz CADMFUFGXFONQS-QWRGUYRKSA-N 2 2 241.335 -0.607 20 0 BBADLP O=C1OC[C@@H]2C[N@@H+](CCn3cc[nH+]c3)C[C@H]12 ZINC000860166293 589084770 /nfs/dbraw/zinc/08/47/70/589084770.db2.gz XKFNUOLNLJOWMD-UWVGGRQHSA-N 2 2 221.260 -0.012 20 0 BBADLP O=C1OC[C@@H]2C[N@H+](CCn3cc[nH+]c3)C[C@H]12 ZINC000860166293 589084769 /nfs/dbraw/zinc/08/47/69/589084769.db2.gz XKFNUOLNLJOWMD-UWVGGRQHSA-N 2 2 221.260 -0.012 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860168066 589085964 /nfs/dbraw/zinc/08/59/64/589085964.db2.gz PAMYCNJEPMNIAR-GMTAPVOTSA-N 2 2 242.319 -0.596 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860168066 589085962 /nfs/dbraw/zinc/08/59/62/589085962.db2.gz PAMYCNJEPMNIAR-GMTAPVOTSA-N 2 2 242.319 -0.596 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860168066 589085960 /nfs/dbraw/zinc/08/59/60/589085960.db2.gz PAMYCNJEPMNIAR-GMTAPVOTSA-N 2 2 242.319 -0.596 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860168066 589085958 /nfs/dbraw/zinc/08/59/58/589085958.db2.gz PAMYCNJEPMNIAR-GMTAPVOTSA-N 2 2 242.319 -0.596 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860168067 589085331 /nfs/dbraw/zinc/08/53/31/589085331.db2.gz PAMYCNJEPMNIAR-OUAUKWLOSA-N 2 2 242.319 -0.596 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860168067 589085329 /nfs/dbraw/zinc/08/53/29/589085329.db2.gz PAMYCNJEPMNIAR-OUAUKWLOSA-N 2 2 242.319 -0.596 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860168067 589085327 /nfs/dbraw/zinc/08/53/27/589085327.db2.gz PAMYCNJEPMNIAR-OUAUKWLOSA-N 2 2 242.319 -0.596 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860168067 589085325 /nfs/dbraw/zinc/08/53/25/589085325.db2.gz PAMYCNJEPMNIAR-OUAUKWLOSA-N 2 2 242.319 -0.596 20 0 BBADLP C[C@@H]([NH3+])CN(C)C(=O)NCCn1cc[nH+]c1 ZINC000861548177 589167850 /nfs/dbraw/zinc/16/78/50/589167850.db2.gz MRSDZDUCNUBCHP-SECBINFHSA-N 2 2 225.296 -0.128 20 0 BBADLP C[C@H]([NH3+])CN(C)C(=O)NCCn1cc[nH+]c1 ZINC000861548178 589167561 /nfs/dbraw/zinc/16/75/61/589167561.db2.gz MRSDZDUCNUBCHP-VIFPVBQESA-N 2 2 225.296 -0.128 20 0 BBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000861634085 589171370 /nfs/dbraw/zinc/17/13/70/589171370.db2.gz XEADCVTUPHASNU-WCBMZHEXSA-N 2 2 237.307 -0.030 20 0 BBADLP CCN(CC[NH3+])C(=O)NCc1c[nH+]cn1C ZINC000861634181 589171328 /nfs/dbraw/zinc/17/13/28/589171328.db2.gz YZLYZPQUJYNTJF-UHFFFAOYSA-N 2 2 225.296 -0.090 20 0 BBADLP C[NH2+]CCN(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000861681459 589174377 /nfs/dbraw/zinc/17/43/77/589174377.db2.gz MMEZBYJQEFPXGK-JTQLQIEISA-N 2 2 244.339 -0.822 20 0 BBADLP C[NH2+]CCN(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000861681459 589174376 /nfs/dbraw/zinc/17/43/76/589174376.db2.gz MMEZBYJQEFPXGK-JTQLQIEISA-N 2 2 244.339 -0.822 20 0 BBADLP C[NH2+]CCN(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000861681460 589174619 /nfs/dbraw/zinc/17/46/19/589174619.db2.gz MMEZBYJQEFPXGK-SNVBAGLBSA-N 2 2 244.339 -0.822 20 0 BBADLP C[NH2+]CCN(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000861681460 589174618 /nfs/dbraw/zinc/17/46/18/589174618.db2.gz MMEZBYJQEFPXGK-SNVBAGLBSA-N 2 2 244.339 -0.822 20 0 BBADLP C[C@@H]([NH3+])CN(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000861682258 589174636 /nfs/dbraw/zinc/17/46/36/589174636.db2.gz SKDPQOYSRUCQDI-NXEZZACHSA-N 2 2 244.339 -0.694 20 0 BBADLP C[C@@H]([NH3+])CN(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000861682258 589174635 /nfs/dbraw/zinc/17/46/35/589174635.db2.gz SKDPQOYSRUCQDI-NXEZZACHSA-N 2 2 244.339 -0.694 20 0 BBADLP C[C@H]([NH3+])CN(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000861682259 589174402 /nfs/dbraw/zinc/17/44/02/589174402.db2.gz SKDPQOYSRUCQDI-UWVGGRQHSA-N 2 2 244.339 -0.694 20 0 BBADLP C[C@H]([NH3+])CN(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000861682259 589174401 /nfs/dbraw/zinc/17/44/01/589174401.db2.gz SKDPQOYSRUCQDI-UWVGGRQHSA-N 2 2 244.339 -0.694 20 0 BBADLP C[C@H]([NH3+])CN(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000861682261 589174312 /nfs/dbraw/zinc/17/43/12/589174312.db2.gz SKDPQOYSRUCQDI-VHSXEESVSA-N 2 2 244.339 -0.694 20 0 BBADLP C[C@H]([NH3+])CN(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000861682261 589174311 /nfs/dbraw/zinc/17/43/11/589174311.db2.gz SKDPQOYSRUCQDI-VHSXEESVSA-N 2 2 244.339 -0.694 20 0 BBADLP C[C@@H]([NH3+])CN(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000861682262 589174372 /nfs/dbraw/zinc/17/43/72/589174372.db2.gz SKDPQOYSRUCQDI-ZJUUUORDSA-N 2 2 244.339 -0.694 20 0 BBADLP C[C@@H]([NH3+])CN(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000861682262 589174371 /nfs/dbraw/zinc/17/43/71/589174371.db2.gz SKDPQOYSRUCQDI-ZJUUUORDSA-N 2 2 244.339 -0.694 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000861911618 589183077 /nfs/dbraw/zinc/18/30/77/589183077.db2.gz BLCWRFAZLVLUTQ-GDGBQDQQSA-N 2 2 234.303 -0.029 20 0 BBADLP COC(=O)CCCC[N@@H+](CC[NH3+])CCO ZINC000863542002 589297223 /nfs/dbraw/zinc/29/72/23/589297223.db2.gz QYFDEYRWRQXRRC-UHFFFAOYSA-N 2 2 218.297 -0.417 20 0 BBADLP COC(=O)CCCC[N@H+](CC[NH3+])CCO ZINC000863542002 589297222 /nfs/dbraw/zinc/29/72/22/589297222.db2.gz QYFDEYRWRQXRRC-UHFFFAOYSA-N 2 2 218.297 -0.417 20 0 BBADLP [NH3+]CC[N@@H+](CCO)CCOC1CCOCC1 ZINC000863542480 589297245 /nfs/dbraw/zinc/29/72/45/589297245.db2.gz VEMMOJWHYCBJPV-UHFFFAOYSA-N 2 2 232.324 -0.565 20 0 BBADLP [NH3+]CC[N@H+](CCO)CCOC1CCOCC1 ZINC000863542480 589297244 /nfs/dbraw/zinc/29/72/44/589297244.db2.gz VEMMOJWHYCBJPV-UHFFFAOYSA-N 2 2 232.324 -0.565 20 0 BBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[NH2+][C@H]1C ZINC000863545728 589298088 /nfs/dbraw/zinc/29/80/88/589298088.db2.gz ARHIRFHEZXXLDH-LNFKQOIKSA-N 2 2 241.335 -0.380 20 0 BBADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1N[C@@H]1CC[NH2+][C@H]1C ZINC000863545730 589297842 /nfs/dbraw/zinc/29/78/42/589297842.db2.gz ARHIRFHEZXXLDH-VLEAKVRGSA-N 2 2 241.335 -0.380 20 0 BBADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1N[C@@H]1CC[NH2+][C@H]1C ZINC000863545731 589297621 /nfs/dbraw/zinc/29/76/21/589297621.db2.gz ARHIRFHEZXXLDH-ZDCRXTMVSA-N 2 2 241.335 -0.380 20 0 BBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H]1CC[NH2+][C@H]1C ZINC000863545732 589298121 /nfs/dbraw/zinc/29/81/21/589298121.db2.gz ARHIRFHEZXXLDH-ZRUFSTJUSA-N 2 2 241.335 -0.380 20 0 BBADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1N[C@@H]1CC[NH2+]C1 ZINC000863546180 589297818 /nfs/dbraw/zinc/29/78/18/589297818.db2.gz FMKBHQWLCQQQBS-BBBLOLIVSA-N 2 2 227.308 -0.769 20 0 BBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H]1CC[NH2+]C1 ZINC000863546182 589297804 /nfs/dbraw/zinc/29/78/04/589297804.db2.gz FMKBHQWLCQQQBS-KXUCPTDWSA-N 2 2 227.308 -0.769 20 0 BBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[NH2+]C1 ZINC000863546185 589297705 /nfs/dbraw/zinc/29/77/05/589297705.db2.gz FMKBHQWLCQQQBS-OPRDCNLKSA-N 2 2 227.308 -0.769 20 0 BBADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1N[C@@H]1CC[NH2+]C1 ZINC000863546186 589297906 /nfs/dbraw/zinc/29/79/06/589297906.db2.gz FMKBHQWLCQQQBS-UTLUCORTSA-N 2 2 227.308 -0.769 20 0 BBADLP CCn1ncc(C[N@@H+](C)CCOCC[NH3+])n1 ZINC000863558034 589299069 /nfs/dbraw/zinc/29/90/69/589299069.db2.gz UZSWOXYPIUDBSD-UHFFFAOYSA-N 2 2 227.312 -0.295 20 0 BBADLP CCn1ncc(C[N@H+](C)CCOCC[NH3+])n1 ZINC000863558034 589299067 /nfs/dbraw/zinc/29/90/67/589299067.db2.gz UZSWOXYPIUDBSD-UHFFFAOYSA-N 2 2 227.312 -0.295 20 0 BBADLP COC(=O)CN(C)C(=O)CC[N@@H+](C)C[C@@H](C)[NH3+] ZINC000863567071 589299286 /nfs/dbraw/zinc/29/92/86/589299286.db2.gz BKERIMXJUZIGME-SECBINFHSA-N 2 2 245.323 -0.713 20 0 BBADLP COC(=O)CN(C)C(=O)CC[N@H+](C)C[C@@H](C)[NH3+] ZINC000863567071 589299285 /nfs/dbraw/zinc/29/92/85/589299285.db2.gz BKERIMXJUZIGME-SECBINFHSA-N 2 2 245.323 -0.713 20 0 BBADLP COC(=O)CN(C)C(=O)CC[N@@H+](C)C[C@H](C)[NH3+] ZINC000863567073 589299478 /nfs/dbraw/zinc/29/94/78/589299478.db2.gz BKERIMXJUZIGME-VIFPVBQESA-N 2 2 245.323 -0.713 20 0 BBADLP COC(=O)CN(C)C(=O)CC[N@H+](C)C[C@H](C)[NH3+] ZINC000863567073 589299477 /nfs/dbraw/zinc/29/94/77/589299477.db2.gz BKERIMXJUZIGME-VIFPVBQESA-N 2 2 245.323 -0.713 20 0 BBADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000863567139 589299560 /nfs/dbraw/zinc/29/95/60/589299560.db2.gz CAYWBAWAHSDYNQ-NXEZZACHSA-N 3 2 213.325 -0.214 20 0 BBADLP C[C@@H]([NH3+])C[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000863567139 589299558 /nfs/dbraw/zinc/29/95/58/589299558.db2.gz CAYWBAWAHSDYNQ-NXEZZACHSA-N 3 2 213.325 -0.214 20 0 BBADLP C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000863567141 589299498 /nfs/dbraw/zinc/29/94/98/589299498.db2.gz CAYWBAWAHSDYNQ-UWVGGRQHSA-N 3 2 213.325 -0.214 20 0 BBADLP C[C@H]([NH3+])C[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000863567141 589299497 /nfs/dbraw/zinc/29/94/97/589299497.db2.gz CAYWBAWAHSDYNQ-UWVGGRQHSA-N 3 2 213.325 -0.214 20 0 BBADLP C[C@H]([NH3+])C[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000863567168 589299578 /nfs/dbraw/zinc/29/95/78/589299578.db2.gz BRTBCBZMBXMNQP-JTQLQIEISA-N 3 2 228.340 -0.913 20 0 BBADLP C[C@H]([NH3+])C[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000863567168 589299577 /nfs/dbraw/zinc/29/95/77/589299577.db2.gz BRTBCBZMBXMNQP-JTQLQIEISA-N 3 2 228.340 -0.913 20 0 BBADLP C[C@@H]([NH3+])C[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000863567169 589299293 /nfs/dbraw/zinc/29/92/93/589299293.db2.gz BRTBCBZMBXMNQP-SNVBAGLBSA-N 3 2 228.340 -0.913 20 0 BBADLP C[C@@H]([NH3+])C[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000863567169 589299292 /nfs/dbraw/zinc/29/92/92/589299292.db2.gz BRTBCBZMBXMNQP-SNVBAGLBSA-N 3 2 228.340 -0.913 20 0 BBADLP C[C@H]([NH3+])C[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000863567313 589299332 /nfs/dbraw/zinc/29/93/32/589299332.db2.gz CAYWBAWAHSDYNQ-VHSXEESVSA-N 3 2 213.325 -0.214 20 0 BBADLP C[C@H]([NH3+])C[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000863567313 589299330 /nfs/dbraw/zinc/29/93/30/589299330.db2.gz CAYWBAWAHSDYNQ-VHSXEESVSA-N 3 2 213.325 -0.214 20 0 BBADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000863567314 589299548 /nfs/dbraw/zinc/29/95/48/589299548.db2.gz CAYWBAWAHSDYNQ-ZJUUUORDSA-N 3 2 213.325 -0.214 20 0 BBADLP C[C@@H]([NH3+])C[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000863567314 589299547 /nfs/dbraw/zinc/29/95/47/589299547.db2.gz CAYWBAWAHSDYNQ-ZJUUUORDSA-N 3 2 213.325 -0.214 20 0 BBADLP C[C@H]([NH3+])C[N@@H+](C)CCC(=O)N1CCOCC1 ZINC000863567933 589300017 /nfs/dbraw/zinc/30/00/17/589300017.db2.gz HEWFPDLTMJWFDA-JTQLQIEISA-N 2 2 229.324 -0.486 20 0 BBADLP C[C@H]([NH3+])C[N@H+](C)CCC(=O)N1CCOCC1 ZINC000863567933 589300015 /nfs/dbraw/zinc/30/00/15/589300015.db2.gz HEWFPDLTMJWFDA-JTQLQIEISA-N 2 2 229.324 -0.486 20 0 BBADLP C[C@@H]([NH3+])C[N@@H+](C)CCC(=O)N1CCOCC1 ZINC000863567950 589299905 /nfs/dbraw/zinc/29/99/05/589299905.db2.gz HEWFPDLTMJWFDA-SNVBAGLBSA-N 2 2 229.324 -0.486 20 0 BBADLP C[C@@H]([NH3+])C[N@H+](C)CCC(=O)N1CCOCC1 ZINC000863567950 589299904 /nfs/dbraw/zinc/29/99/04/589299904.db2.gz HEWFPDLTMJWFDA-SNVBAGLBSA-N 2 2 229.324 -0.486 20 0 BBADLP C[C@@H]([NH3+])C[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000863568691 589300156 /nfs/dbraw/zinc/30/01/56/589300156.db2.gz NTLIBBNPOHPZGS-GHMZBOCLSA-N 2 2 215.341 -0.014 20 0 BBADLP C[C@@H]([NH3+])C[N@H+](C)[C@H](C)CN1CCOCC1 ZINC000863568691 589300154 /nfs/dbraw/zinc/30/01/54/589300154.db2.gz NTLIBBNPOHPZGS-GHMZBOCLSA-N 2 2 215.341 -0.014 20 0 BBADLP C[C@@H]([NH3+])C[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000863568692 589300363 /nfs/dbraw/zinc/30/03/63/589300363.db2.gz NTLIBBNPOHPZGS-MNOVXSKESA-N 2 2 215.341 -0.014 20 0 BBADLP C[C@@H]([NH3+])C[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000863568692 589300362 /nfs/dbraw/zinc/30/03/62/589300362.db2.gz NTLIBBNPOHPZGS-MNOVXSKESA-N 2 2 215.341 -0.014 20 0 BBADLP C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000863568693 589299959 /nfs/dbraw/zinc/29/99/59/589299959.db2.gz NTLIBBNPOHPZGS-QWRGUYRKSA-N 2 2 215.341 -0.014 20 0 BBADLP C[C@H]([NH3+])C[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000863568693 589299957 /nfs/dbraw/zinc/29/99/57/589299957.db2.gz NTLIBBNPOHPZGS-QWRGUYRKSA-N 2 2 215.341 -0.014 20 0 BBADLP C[C@H](CN1CCOCC1)[N@H+](C)C[C@H](C)[NH3+] ZINC000863568694 589299824 /nfs/dbraw/zinc/29/98/24/589299824.db2.gz NTLIBBNPOHPZGS-WDEREUQCSA-N 2 2 215.341 -0.014 20 0 BBADLP C[C@H](CN1CCOCC1)[N@@H+](C)C[C@H](C)[NH3+] ZINC000863568694 589299823 /nfs/dbraw/zinc/29/98/23/589299823.db2.gz NTLIBBNPOHPZGS-WDEREUQCSA-N 2 2 215.341 -0.014 20 0 BBADLP C[C@@H]([NH3+])CN(C)CCC(=O)N1CC[NH+](C)CC1 ZINC000863569293 589300741 /nfs/dbraw/zinc/30/07/41/589300741.db2.gz ULBZDJBHXQHVCR-LLVKDONJSA-N 2 2 242.367 -0.571 20 0 BBADLP C[C@@H]([NH3+])C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000863569293 589300740 /nfs/dbraw/zinc/30/07/40/589300740.db2.gz ULBZDJBHXQHVCR-LLVKDONJSA-N 3 2 242.367 -0.571 20 0 BBADLP C[C@@H]([NH3+])C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000863569293 589300739 /nfs/dbraw/zinc/30/07/39/589300739.db2.gz ULBZDJBHXQHVCR-LLVKDONJSA-N 3 2 242.367 -0.571 20 0 BBADLP C[C@H]([NH3+])CN(C)CCC(=O)N1CC[NH+](C)CC1 ZINC000863569294 589300793 /nfs/dbraw/zinc/30/07/93/589300793.db2.gz ULBZDJBHXQHVCR-NSHDSACASA-N 2 2 242.367 -0.571 20 0 BBADLP C[C@H]([NH3+])C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000863569294 589300792 /nfs/dbraw/zinc/30/07/92/589300792.db2.gz ULBZDJBHXQHVCR-NSHDSACASA-N 3 2 242.367 -0.571 20 0 BBADLP C[C@H]([NH3+])C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000863569294 589300791 /nfs/dbraw/zinc/30/07/91/589300791.db2.gz ULBZDJBHXQHVCR-NSHDSACASA-N 3 2 242.367 -0.571 20 0 BBADLP CNS(=O)(=O)CCC[N@@H+](C)C[C@@H](C)[NH3+] ZINC000863569925 589300665 /nfs/dbraw/zinc/30/06/65/589300665.db2.gz XZVQTHCDNAOAOA-MRVPVSSYSA-N 2 2 223.342 -0.795 20 0 BBADLP CNS(=O)(=O)CCC[N@H+](C)C[C@@H](C)[NH3+] ZINC000863569925 589300664 /nfs/dbraw/zinc/30/06/64/589300664.db2.gz XZVQTHCDNAOAOA-MRVPVSSYSA-N 2 2 223.342 -0.795 20 0 BBADLP CNS(=O)(=O)CCC[N@@H+](C)C[C@H](C)[NH3+] ZINC000863569927 589300787 /nfs/dbraw/zinc/30/07/87/589300787.db2.gz XZVQTHCDNAOAOA-QMMMGPOBSA-N 2 2 223.342 -0.795 20 0 BBADLP CNS(=O)(=O)CCC[N@H+](C)C[C@H](C)[NH3+] ZINC000863569927 589300786 /nfs/dbraw/zinc/30/07/86/589300786.db2.gz XZVQTHCDNAOAOA-QMMMGPOBSA-N 2 2 223.342 -0.795 20 0 BBADLP CON(C)C(=O)CC[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000863583037 589301568 /nfs/dbraw/zinc/30/15/68/589301568.db2.gz LLKOBMQSUWMFRY-SNVBAGLBSA-N 2 2 245.323 -0.948 20 0 BBADLP CON(C)C(=O)CC[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000863583037 589301566 /nfs/dbraw/zinc/30/15/66/589301566.db2.gz LLKOBMQSUWMFRY-SNVBAGLBSA-N 2 2 245.323 -0.948 20 0 BBADLP CON(C)C(=O)CC[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000863590537 589303364 /nfs/dbraw/zinc/30/33/64/589303364.db2.gz LLKOBMQSUWMFRY-JTQLQIEISA-N 2 2 245.323 -0.948 20 0 BBADLP CON(C)C(=O)CC[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000863590537 589303363 /nfs/dbraw/zinc/30/33/63/589303363.db2.gz LLKOBMQSUWMFRY-JTQLQIEISA-N 2 2 245.323 -0.948 20 0 BBADLP [NH3+]CC[N@@H+](CCO)CC1=CCCOC1 ZINC000863641492 589306226 /nfs/dbraw/zinc/30/62/26/589306226.db2.gz FFZCYXJWADRMFF-UHFFFAOYSA-N 2 2 200.282 -0.414 20 0 BBADLP [NH3+]CC[N@H+](CCO)CC1=CCCOC1 ZINC000863641492 589306225 /nfs/dbraw/zinc/30/62/25/589306225.db2.gz FFZCYXJWADRMFF-UHFFFAOYSA-N 2 2 200.282 -0.414 20 0 BBADLP CON(C)C(=O)[C@@H](C)[NH2+]Cc1c[nH+]c[nH]1 ZINC000864050203 589334839 /nfs/dbraw/zinc/33/48/39/589334839.db2.gz YHFVYOQBDUCHFZ-SSDOTTSWSA-N 2 2 212.253 -0.092 20 0 BBADLP CON(C)C(=O)[C@H](C)[NH2+]Cc1c[nH+]c[nH]1 ZINC000864050204 589334956 /nfs/dbraw/zinc/33/49/56/589334956.db2.gz YHFVYOQBDUCHFZ-ZETCQYMHSA-N 2 2 212.253 -0.092 20 0 BBADLP C[N@H+]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CO ZINC000864078256 589340955 /nfs/dbraw/zinc/34/09/55/589340955.db2.gz MRYUARXSJVSCSQ-JTQLQIEISA-N 2 2 238.291 -0.913 20 0 BBADLP C[N@@H+]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CO ZINC000864078256 589340953 /nfs/dbraw/zinc/34/09/53/589340953.db2.gz MRYUARXSJVSCSQ-JTQLQIEISA-N 2 2 238.291 -0.913 20 0 BBADLP C[N@H+]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1CO ZINC000864078267 589340919 /nfs/dbraw/zinc/34/09/19/589340919.db2.gz MRYUARXSJVSCSQ-SNVBAGLBSA-N 2 2 238.291 -0.913 20 0 BBADLP C[N@@H+]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1CO ZINC000864078267 589340917 /nfs/dbraw/zinc/34/09/17/589340917.db2.gz MRYUARXSJVSCSQ-SNVBAGLBSA-N 2 2 238.291 -0.913 20 0 BBADLP CC[NH+]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000864391565 589357657 /nfs/dbraw/zinc/35/76/57/589357657.db2.gz XGRWTVUNBWZNNO-JTQLQIEISA-N 2 2 238.291 -0.393 20 0 BBADLP CC[NH+]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000864391566 589357791 /nfs/dbraw/zinc/35/77/91/589357791.db2.gz XGRWTVUNBWZNNO-SNVBAGLBSA-N 2 2 238.291 -0.393 20 0 BBADLP C[NH+](C)CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864416655 645713645 /nfs/dbraw/zinc/71/36/45/645713645.db2.gz ZRVNINNEFZJING-ARJAWSKDSA-N 2 2 241.335 -0.447 20 0 BBADLP C[NH+](C)CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864416656 645714036 /nfs/dbraw/zinc/71/40/36/645714036.db2.gz ZRVNINNEFZJING-ONEGZZNKSA-N 2 2 241.335 -0.447 20 0 BBADLP C[N@H+]1CCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000864441749 589363471 /nfs/dbraw/zinc/36/34/71/589363471.db2.gz BDTVOASHQHRURS-JTQLQIEISA-N 2 2 238.291 -0.393 20 0 BBADLP C[N@@H+]1CCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000864441749 589363470 /nfs/dbraw/zinc/36/34/70/589363470.db2.gz BDTVOASHQHRURS-JTQLQIEISA-N 2 2 238.291 -0.393 20 0 BBADLP C[N@H+]1CCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000864441750 589363277 /nfs/dbraw/zinc/36/32/77/589363277.db2.gz BDTVOASHQHRURS-SNVBAGLBSA-N 2 2 238.291 -0.393 20 0 BBADLP C[N@@H+]1CCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000864441750 589363275 /nfs/dbraw/zinc/36/32/75/589363275.db2.gz BDTVOASHQHRURS-SNVBAGLBSA-N 2 2 238.291 -0.393 20 0 BBADLP C[C@H]([NH3+])CN(C)C(=O)NCC[NH+]1CCOCC1 ZINC000865343545 589422725 /nfs/dbraw/zinc/42/27/25/589422725.db2.gz OQFXQSPRVHAZEW-JTQLQIEISA-N 2 2 244.339 -0.693 20 0 BBADLP C[C@@H]([NH3+])CN(C)C(=O)NCC[NH+]1CCOCC1 ZINC000865343547 589422755 /nfs/dbraw/zinc/42/27/55/589422755.db2.gz OQFXQSPRVHAZEW-SNVBAGLBSA-N 2 2 244.339 -0.693 20 0 BBADLP C[N@H+]1CC[C@@H]2CN(c3nc(N)nc(N)[nH+]3)CC[C@H]21 ZINC000866209806 589480382 /nfs/dbraw/zinc/48/03/82/589480382.db2.gz VHWIWVOLAAFVEA-HTQZYQBOSA-N 2 2 249.322 -0.434 20 0 BBADLP C[N@@H+]1CC[C@@H]2CN(c3nc(N)nc(N)[nH+]3)CC[C@H]21 ZINC000866209806 589480381 /nfs/dbraw/zinc/48/03/81/589480381.db2.gz VHWIWVOLAAFVEA-HTQZYQBOSA-N 2 2 249.322 -0.434 20 0 BBADLP C[N@H+]1CC[C@H]2CN(c3nc(N)nc(N)[nH+]3)CC[C@H]21 ZINC000866209807 589480543 /nfs/dbraw/zinc/48/05/43/589480543.db2.gz VHWIWVOLAAFVEA-JGVFFNPUSA-N 2 2 249.322 -0.434 20 0 BBADLP C[N@@H+]1CC[C@H]2CN(c3nc(N)nc(N)[nH+]3)CC[C@H]21 ZINC000866209807 589480542 /nfs/dbraw/zinc/48/05/42/589480542.db2.gz VHWIWVOLAAFVEA-JGVFFNPUSA-N 2 2 249.322 -0.434 20 0 BBADLP C[N@H+]1CC[C@@H]2CN(c3nc(N)nc(N)[nH+]3)CC[C@@H]21 ZINC000866209808 589480465 /nfs/dbraw/zinc/48/04/65/589480465.db2.gz VHWIWVOLAAFVEA-SFYZADRCSA-N 2 2 249.322 -0.434 20 0 BBADLP C[N@@H+]1CC[C@@H]2CN(c3nc(N)nc(N)[nH+]3)CC[C@@H]21 ZINC000866209808 589480464 /nfs/dbraw/zinc/48/04/64/589480464.db2.gz VHWIWVOLAAFVEA-SFYZADRCSA-N 2 2 249.322 -0.434 20 0 BBADLP C[N@H+]1CC[C@H]2CN(c3nc(N)nc(N)[nH+]3)CC[C@@H]21 ZINC000866209809 589480734 /nfs/dbraw/zinc/48/07/34/589480734.db2.gz VHWIWVOLAAFVEA-YUMQZZPRSA-N 2 2 249.322 -0.434 20 0 BBADLP C[N@@H+]1CC[C@H]2CN(c3nc(N)nc(N)[nH+]3)CC[C@@H]21 ZINC000866209809 589480733 /nfs/dbraw/zinc/48/07/33/589480733.db2.gz VHWIWVOLAAFVEA-YUMQZZPRSA-N 2 2 249.322 -0.434 20 0 BBADLP CN(CC[NH+](C)C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866309550 589485712 /nfs/dbraw/zinc/48/57/12/589485712.db2.gz HPAIVVXWPSSPLY-SECBINFHSA-N 2 2 226.280 -0.537 20 0 BBADLP CN(CC[NH+](C)C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866309551 589485898 /nfs/dbraw/zinc/48/58/98/589485898.db2.gz HPAIVVXWPSSPLY-VIFPVBQESA-N 2 2 226.280 -0.537 20 0 BBADLP C[C@@H](CC(N)=O)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866411825 589491253 /nfs/dbraw/zinc/49/12/53/589491253.db2.gz WYVBEPVFSHDJSK-UWVGGRQHSA-N 2 2 243.351 -0.315 20 0 BBADLP C[C@@H](CC(N)=O)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866411825 589491252 /nfs/dbraw/zinc/49/12/52/589491252.db2.gz WYVBEPVFSHDJSK-UWVGGRQHSA-N 2 2 243.351 -0.315 20 0 BBADLP C[C@H](CC(N)=O)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866411826 589491431 /nfs/dbraw/zinc/49/14/31/589491431.db2.gz WYVBEPVFSHDJSK-ZJUUUORDSA-N 2 2 243.351 -0.315 20 0 BBADLP C[C@H](CC(N)=O)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866411826 589491430 /nfs/dbraw/zinc/49/14/30/589491430.db2.gz WYVBEPVFSHDJSK-ZJUUUORDSA-N 2 2 243.351 -0.315 20 0 BBADLP C[C@@H]1CCC[N@@H+](CCc2nnnn2C)[C@@H]1C[NH3+] ZINC000866659347 589508171 /nfs/dbraw/zinc/50/81/71/589508171.db2.gz KLJMMOMYGFQJKS-NXEZZACHSA-N 2 2 238.339 -0.188 20 0 BBADLP C[C@@H]1CCC[N@H+](CCc2nnnn2C)[C@@H]1C[NH3+] ZINC000866659347 589508170 /nfs/dbraw/zinc/50/81/70/589508170.db2.gz KLJMMOMYGFQJKS-NXEZZACHSA-N 2 2 238.339 -0.188 20 0 BBADLP C[C@H]1CCC[N@@H+](CCc2nnnn2C)[C@H]1C[NH3+] ZINC000866659348 589508076 /nfs/dbraw/zinc/50/80/76/589508076.db2.gz KLJMMOMYGFQJKS-UWVGGRQHSA-N 2 2 238.339 -0.188 20 0 BBADLP C[C@H]1CCC[N@H+](CCc2nnnn2C)[C@H]1C[NH3+] ZINC000866659348 589508075 /nfs/dbraw/zinc/50/80/75/589508075.db2.gz KLJMMOMYGFQJKS-UWVGGRQHSA-N 2 2 238.339 -0.188 20 0 BBADLP C[C@H]1CCC[N@@H+](CCc2nnnn2C)[C@@H]1C[NH3+] ZINC000866659349 589508349 /nfs/dbraw/zinc/50/83/49/589508349.db2.gz KLJMMOMYGFQJKS-VHSXEESVSA-N 2 2 238.339 -0.188 20 0 BBADLP C[C@H]1CCC[N@H+](CCc2nnnn2C)[C@@H]1C[NH3+] ZINC000866659349 589508347 /nfs/dbraw/zinc/50/83/47/589508347.db2.gz KLJMMOMYGFQJKS-VHSXEESVSA-N 2 2 238.339 -0.188 20 0 BBADLP C[C@@H]1CCC[N@@H+](CCc2nnnn2C)[C@H]1C[NH3+] ZINC000866659350 589507911 /nfs/dbraw/zinc/50/79/11/589507911.db2.gz KLJMMOMYGFQJKS-ZJUUUORDSA-N 2 2 238.339 -0.188 20 0 BBADLP C[C@@H]1CCC[N@H+](CCc2nnnn2C)[C@H]1C[NH3+] ZINC000866659350 589507909 /nfs/dbraw/zinc/50/79/09/589507909.db2.gz KLJMMOMYGFQJKS-ZJUUUORDSA-N 2 2 238.339 -0.188 20 0 BBADLP Cn1nnnc1CC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000866659541 589508382 /nfs/dbraw/zinc/50/83/82/589508382.db2.gz NBXWZFZRIGIOSM-SECBINFHSA-N 2 2 224.312 -0.434 20 0 BBADLP Cn1nnnc1CC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000866659541 589508380 /nfs/dbraw/zinc/50/83/80/589508380.db2.gz NBXWZFZRIGIOSM-SECBINFHSA-N 2 2 224.312 -0.434 20 0 BBADLP Cn1nnnc1CC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000866659542 589508038 /nfs/dbraw/zinc/50/80/38/589508038.db2.gz NBXWZFZRIGIOSM-VIFPVBQESA-N 2 2 224.312 -0.434 20 0 BBADLP Cn1nnnc1CC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000866659542 589508036 /nfs/dbraw/zinc/50/80/36/589508036.db2.gz NBXWZFZRIGIOSM-VIFPVBQESA-N 2 2 224.312 -0.434 20 0 BBADLP [NH3+]CC[N@@H+](CCO)C[C@H]1CCc2ncnn21 ZINC000866660832 589507919 /nfs/dbraw/zinc/50/79/19/589507919.db2.gz NGIGAMMGAVHRDH-SECBINFHSA-N 2 2 225.296 -0.982 20 0 BBADLP [NH3+]CC[N@H+](CCO)C[C@H]1CCc2ncnn21 ZINC000866660832 589507917 /nfs/dbraw/zinc/50/79/17/589507917.db2.gz NGIGAMMGAVHRDH-SECBINFHSA-N 2 2 225.296 -0.982 20 0 BBADLP [NH3+]CC[N@@H+](CCO)C[C@@H]1CCc2ncnn21 ZINC000866660833 589508016 /nfs/dbraw/zinc/50/80/16/589508016.db2.gz NGIGAMMGAVHRDH-VIFPVBQESA-N 2 2 225.296 -0.982 20 0 BBADLP [NH3+]CC[N@H+](CCO)C[C@@H]1CCc2ncnn21 ZINC000866660833 589508014 /nfs/dbraw/zinc/50/80/14/589508014.db2.gz NGIGAMMGAVHRDH-VIFPVBQESA-N 2 2 225.296 -0.982 20 0 BBADLP Cn1nnnc1CC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000866661284 589508750 /nfs/dbraw/zinc/50/87/50/589508750.db2.gz IFOUJSXGJFHDJR-MRVPVSSYSA-N 2 2 210.285 -0.824 20 0 BBADLP Cn1nnnc1CC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000866661284 589508748 /nfs/dbraw/zinc/50/87/48/589508748.db2.gz IFOUJSXGJFHDJR-MRVPVSSYSA-N 2 2 210.285 -0.824 20 0 BBADLP Cn1nnnc1CC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000866661299 589508650 /nfs/dbraw/zinc/50/86/50/589508650.db2.gz IFOUJSXGJFHDJR-QMMMGPOBSA-N 2 2 210.285 -0.824 20 0 BBADLP Cn1nnnc1CC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000866661299 589508648 /nfs/dbraw/zinc/50/86/48/589508648.db2.gz IFOUJSXGJFHDJR-QMMMGPOBSA-N 2 2 210.285 -0.824 20 0 BBADLP Cn1nnnc1CC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000866661428 589508834 /nfs/dbraw/zinc/50/88/34/589508834.db2.gz PRUXBXRFXVZCSV-MRVPVSSYSA-N 2 2 210.285 -0.824 20 0 BBADLP Cn1nnnc1CC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000866661428 589508832 /nfs/dbraw/zinc/50/88/32/589508832.db2.gz PRUXBXRFXVZCSV-MRVPVSSYSA-N 2 2 210.285 -0.824 20 0 BBADLP [NH3+]CC[N@@H+](CCO)C[C@@H]1CCCCO1 ZINC000866661890 589508729 /nfs/dbraw/zinc/50/87/29/589508729.db2.gz WIMLXXCPDINZGC-JTQLQIEISA-N 2 2 202.298 -0.192 20 0 BBADLP [NH3+]CC[N@H+](CCO)C[C@@H]1CCCCO1 ZINC000866661890 589508728 /nfs/dbraw/zinc/50/87/28/589508728.db2.gz WIMLXXCPDINZGC-JTQLQIEISA-N 2 2 202.298 -0.192 20 0 BBADLP [NH3+]CC[N@@H+](CCO)C[C@H]1CCCCO1 ZINC000866661891 589508828 /nfs/dbraw/zinc/50/88/28/589508828.db2.gz WIMLXXCPDINZGC-SNVBAGLBSA-N 2 2 202.298 -0.192 20 0 BBADLP [NH3+]CC[N@H+](CCO)C[C@H]1CCCCO1 ZINC000866661891 589508826 /nfs/dbraw/zinc/50/88/26/589508826.db2.gz WIMLXXCPDINZGC-SNVBAGLBSA-N 2 2 202.298 -0.192 20 0 BBADLP C[C@H]1OCC[C@@H]1C[N@@H+](CC[NH3+])CCO ZINC000866661904 589508891 /nfs/dbraw/zinc/50/88/91/589508891.db2.gz WOHCBFGDYWDPKT-NXEZZACHSA-N 2 2 202.298 -0.336 20 0 BBADLP C[C@H]1OCC[C@@H]1C[N@H+](CC[NH3+])CCO ZINC000866661904 589508890 /nfs/dbraw/zinc/50/88/90/589508890.db2.gz WOHCBFGDYWDPKT-NXEZZACHSA-N 2 2 202.298 -0.336 20 0 BBADLP C[C@@H]1OCC[C@H]1C[N@@H+](CC[NH3+])CCO ZINC000866661905 589508979 /nfs/dbraw/zinc/50/89/79/589508979.db2.gz WOHCBFGDYWDPKT-UWVGGRQHSA-N 2 2 202.298 -0.336 20 0 BBADLP C[C@@H]1OCC[C@H]1C[N@H+](CC[NH3+])CCO ZINC000866661905 589508978 /nfs/dbraw/zinc/50/89/78/589508978.db2.gz WOHCBFGDYWDPKT-UWVGGRQHSA-N 2 2 202.298 -0.336 20 0 BBADLP C[C@@H]1OCC[C@@H]1C[N@@H+](CC[NH3+])CCO ZINC000866661906 589507612 /nfs/dbraw/zinc/50/76/12/589507612.db2.gz WOHCBFGDYWDPKT-VHSXEESVSA-N 2 2 202.298 -0.336 20 0 BBADLP C[C@@H]1OCC[C@@H]1C[N@H+](CC[NH3+])CCO ZINC000866661906 589507611 /nfs/dbraw/zinc/50/76/11/589507611.db2.gz WOHCBFGDYWDPKT-VHSXEESVSA-N 2 2 202.298 -0.336 20 0 BBADLP C[C@H]1OCC[C@H]1C[N@@H+](CC[NH3+])CCO ZINC000866661907 589507347 /nfs/dbraw/zinc/50/73/47/589507347.db2.gz WOHCBFGDYWDPKT-ZJUUUORDSA-N 2 2 202.298 -0.336 20 0 BBADLP C[C@H]1OCC[C@H]1C[N@H+](CC[NH3+])CCO ZINC000866661907 589507345 /nfs/dbraw/zinc/50/73/45/589507345.db2.gz WOHCBFGDYWDPKT-ZJUUUORDSA-N 2 2 202.298 -0.336 20 0 BBADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCc1nnnn1C ZINC000866662054 589508936 /nfs/dbraw/zinc/50/89/36/589508936.db2.gz PDFFXEXWEZBHEY-NXEZZACHSA-N 2 2 238.339 -0.046 20 0 BBADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCc1nnnn1C ZINC000866662054 589508935 /nfs/dbraw/zinc/50/89/35/589508935.db2.gz PDFFXEXWEZBHEY-NXEZZACHSA-N 2 2 238.339 -0.046 20 0 BBADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCc1nnnn1C ZINC000866662055 589508692 /nfs/dbraw/zinc/50/86/92/589508692.db2.gz PDFFXEXWEZBHEY-UWVGGRQHSA-N 2 2 238.339 -0.046 20 0 BBADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCc1nnnn1C ZINC000866662055 589508690 /nfs/dbraw/zinc/50/86/90/589508690.db2.gz PDFFXEXWEZBHEY-UWVGGRQHSA-N 2 2 238.339 -0.046 20 0 BBADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCc1nnnn1C ZINC000866662056 589508571 /nfs/dbraw/zinc/50/85/71/589508571.db2.gz PDFFXEXWEZBHEY-VHSXEESVSA-N 2 2 238.339 -0.046 20 0 BBADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCc1nnnn1C ZINC000866662056 589508569 /nfs/dbraw/zinc/50/85/69/589508569.db2.gz PDFFXEXWEZBHEY-VHSXEESVSA-N 2 2 238.339 -0.046 20 0 BBADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCc1nnnn1C ZINC000866662057 589508970 /nfs/dbraw/zinc/50/89/70/589508970.db2.gz PDFFXEXWEZBHEY-ZJUUUORDSA-N 2 2 238.339 -0.046 20 0 BBADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCc1nnnn1C ZINC000866662057 589508969 /nfs/dbraw/zinc/50/89/69/589508969.db2.gz PDFFXEXWEZBHEY-ZJUUUORDSA-N 2 2 238.339 -0.046 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@H+]1CCc1nnnn1C ZINC000866662156 589508698 /nfs/dbraw/zinc/50/86/98/589508698.db2.gz YQHFECCFNURGHX-SECBINFHSA-N 2 2 224.312 -0.564 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCc1nnnn1C ZINC000866662156 589508696 /nfs/dbraw/zinc/50/86/96/589508696.db2.gz YQHFECCFNURGHX-SECBINFHSA-N 2 2 224.312 -0.564 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCc1nnnn1C ZINC000866662157 589508772 /nfs/dbraw/zinc/50/87/72/589508772.db2.gz YQHFECCFNURGHX-VIFPVBQESA-N 2 2 224.312 -0.564 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCc1nnnn1C ZINC000866662157 589508770 /nfs/dbraw/zinc/50/87/70/589508770.db2.gz YQHFECCFNURGHX-VIFPVBQESA-N 2 2 224.312 -0.564 20 0 BBADLP Cn1nnnc1CC[N@H+]1CCC[NH2+]CC1 ZINC000866662427 589508992 /nfs/dbraw/zinc/50/89/92/589508992.db2.gz SGEZCDIQEPMUBN-UHFFFAOYSA-N 2 2 210.285 -0.952 20 0 BBADLP Cn1nnnc1CC[N@@H+]1CCC[NH2+]CC1 ZINC000866662427 589508991 /nfs/dbraw/zinc/50/89/91/589508991.db2.gz SGEZCDIQEPMUBN-UHFFFAOYSA-N 2 2 210.285 -0.952 20 0 BBADLP Cn1nnnc1CC[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000866665248 589509718 /nfs/dbraw/zinc/50/97/18/589509718.db2.gz FYTLJINKWZVKMV-SECBINFHSA-N 2 2 224.312 -0.578 20 0 BBADLP Cn1nnnc1CC[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000866665248 589509717 /nfs/dbraw/zinc/50/97/17/589509717.db2.gz FYTLJINKWZVKMV-SECBINFHSA-N 2 2 224.312 -0.578 20 0 BBADLP Cn1nnnc1CC[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000866665250 589509866 /nfs/dbraw/zinc/50/98/66/589509866.db2.gz FYTLJINKWZVKMV-VIFPVBQESA-N 2 2 224.312 -0.578 20 0 BBADLP Cn1nnnc1CC[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000866665250 589509865 /nfs/dbraw/zinc/50/98/65/589509865.db2.gz FYTLJINKWZVKMV-VIFPVBQESA-N 2 2 224.312 -0.578 20 0 BBADLP C[NH2+]CC[N@@H+](C)C[C@H]1CCc2ncnn21 ZINC000866665322 589509364 /nfs/dbraw/zinc/50/93/64/589509364.db2.gz BQWZUGAJJFSTQW-SECBINFHSA-N 2 2 209.297 -0.083 20 0 BBADLP C[NH2+]CC[N@H+](C)C[C@H]1CCc2ncnn21 ZINC000866665322 589509361 /nfs/dbraw/zinc/50/93/61/589509361.db2.gz BQWZUGAJJFSTQW-SECBINFHSA-N 2 2 209.297 -0.083 20 0 BBADLP C[NH2+]CC[N@@H+](C)C[C@@H]1CCc2ncnn21 ZINC000866665323 589509528 /nfs/dbraw/zinc/50/95/28/589509528.db2.gz BQWZUGAJJFSTQW-VIFPVBQESA-N 2 2 209.297 -0.083 20 0 BBADLP C[NH2+]CC[N@H+](C)C[C@@H]1CCc2ncnn21 ZINC000866665323 589509527 /nfs/dbraw/zinc/50/95/27/589509527.db2.gz BQWZUGAJJFSTQW-VIFPVBQESA-N 2 2 209.297 -0.083 20 0 BBADLP Cn1nnnc1CC[N@@H+](C)C1(C[NH3+])CCC1 ZINC000866665885 589509490 /nfs/dbraw/zinc/50/94/90/589509490.db2.gz JWHBSOGZBNPLTJ-UHFFFAOYSA-N 2 2 224.312 -0.434 20 0 BBADLP Cn1nnnc1CC[N@H+](C)C1(C[NH3+])CCC1 ZINC000866665885 589509489 /nfs/dbraw/zinc/50/94/89/589509489.db2.gz JWHBSOGZBNPLTJ-UHFFFAOYSA-N 2 2 224.312 -0.434 20 0 BBADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCc1nnnn1C ZINC000866666336 589509592 /nfs/dbraw/zinc/50/95/92/589509592.db2.gz NWGMVAZFRAFNAE-YUMQZZPRSA-N 2 2 210.285 -0.826 20 0 BBADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCc1nnnn1C ZINC000866666336 589509590 /nfs/dbraw/zinc/50/95/90/589509590.db2.gz NWGMVAZFRAFNAE-YUMQZZPRSA-N 2 2 210.285 -0.826 20 0 BBADLP C[C@@H]1C[N@@H+](CCc2nnnn2C)C[C@H]1[NH3+] ZINC000866666652 589509784 /nfs/dbraw/zinc/50/97/84/589509784.db2.gz UAHDQHZPZSBUGF-HTQZYQBOSA-N 2 2 210.285 -0.968 20 0 BBADLP C[C@@H]1C[N@H+](CCc2nnnn2C)C[C@H]1[NH3+] ZINC000866666652 589509782 /nfs/dbraw/zinc/50/97/82/589509782.db2.gz UAHDQHZPZSBUGF-HTQZYQBOSA-N 2 2 210.285 -0.968 20 0 BBADLP Cn1nnnc1CC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000866667678 589510190 /nfs/dbraw/zinc/51/01/90/589510190.db2.gz UXFIJQFELICDST-UHFFFAOYSA-N 2 2 236.323 -0.420 20 0 BBADLP [NH3+]CC[N@@H+](CCCC1CC1)C[C@@H](O)CO ZINC000866669025 589509989 /nfs/dbraw/zinc/50/99/89/589509989.db2.gz NBMCWCSWPJKKJI-LLVKDONJSA-N 2 2 216.325 -0.210 20 0 BBADLP [NH3+]CC[N@H+](CCCC1CC1)C[C@@H](O)CO ZINC000866669025 589509988 /nfs/dbraw/zinc/50/99/88/589509988.db2.gz NBMCWCSWPJKKJI-LLVKDONJSA-N 2 2 216.325 -0.210 20 0 BBADLP [NH3+]CC[N@@H+](CCCC1CC1)C[C@H](O)CO ZINC000866669026 589510037 /nfs/dbraw/zinc/51/00/37/589510037.db2.gz NBMCWCSWPJKKJI-NSHDSACASA-N 2 2 216.325 -0.210 20 0 BBADLP [NH3+]CC[N@H+](CCCC1CC1)C[C@H](O)CO ZINC000866669026 589510036 /nfs/dbraw/zinc/51/00/36/589510036.db2.gz NBMCWCSWPJKKJI-NSHDSACASA-N 2 2 216.325 -0.210 20 0 BBADLP Cn1nnnc1CC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000866669056 589509972 /nfs/dbraw/zinc/50/99/72/589509972.db2.gz OICLONRDNLJAER-GXSJLCMTSA-N 2 2 236.323 -0.434 20 0 BBADLP Cn1nnnc1CC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000866669056 589509971 /nfs/dbraw/zinc/50/99/71/589509971.db2.gz OICLONRDNLJAER-GXSJLCMTSA-N 2 2 236.323 -0.434 20 0 BBADLP Cn1nnnc1CC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000866669057 589510054 /nfs/dbraw/zinc/51/00/54/589510054.db2.gz OICLONRDNLJAER-KOLCDFICSA-N 2 2 236.323 -0.434 20 0 BBADLP Cn1nnnc1CC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000866669057 589510053 /nfs/dbraw/zinc/51/00/53/589510053.db2.gz OICLONRDNLJAER-KOLCDFICSA-N 2 2 236.323 -0.434 20 0 BBADLP Cn1nnnc1CC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000866669058 589510398 /nfs/dbraw/zinc/51/03/98/589510398.db2.gz OICLONRDNLJAER-MWLCHTKSSA-N 2 2 236.323 -0.434 20 0 BBADLP Cn1nnnc1CC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000866669058 589510396 /nfs/dbraw/zinc/51/03/96/589510396.db2.gz OICLONRDNLJAER-MWLCHTKSSA-N 2 2 236.323 -0.434 20 0 BBADLP Cn1nnnc1CC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000866669059 589509964 /nfs/dbraw/zinc/50/99/64/589509964.db2.gz OICLONRDNLJAER-ONGXEEELSA-N 2 2 236.323 -0.434 20 0 BBADLP Cn1nnnc1CC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000866669059 589509963 /nfs/dbraw/zinc/50/99/63/589509963.db2.gz OICLONRDNLJAER-ONGXEEELSA-N 2 2 236.323 -0.434 20 0 BBADLP Cn1nnnc1CC[N@H+]1CC2CC1(C[NH3+])C2 ZINC000866669206 589510393 /nfs/dbraw/zinc/51/03/93/589510393.db2.gz ULSHQNQQEQASPR-UHFFFAOYSA-N 2 2 222.296 -0.824 20 0 BBADLP Cn1nnnc1CC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000866669206 589510391 /nfs/dbraw/zinc/51/03/91/589510391.db2.gz ULSHQNQQEQASPR-UHFFFAOYSA-N 2 2 222.296 -0.824 20 0 BBADLP C[C@@H]1CC[N@@H+](CCc2nnnn2C)[C@H](C[NH3+])C1 ZINC000866669272 589509985 /nfs/dbraw/zinc/50/99/85/589509985.db2.gz WGWZYPNICUDUHJ-ZJUUUORDSA-N 2 2 238.339 -0.188 20 0 BBADLP C[C@@H]1CC[N@H+](CCc2nnnn2C)[C@H](C[NH3+])C1 ZINC000866669272 589509984 /nfs/dbraw/zinc/50/99/84/589509984.db2.gz WGWZYPNICUDUHJ-ZJUUUORDSA-N 2 2 238.339 -0.188 20 0 BBADLP Cn1nnnc1CC[N@@H+](C)CC(C)(C)[NH3+] ZINC000866669336 589510012 /nfs/dbraw/zinc/51/00/12/589510012.db2.gz YOHJXKCDJXQJGV-UHFFFAOYSA-N 2 2 212.301 -0.578 20 0 BBADLP Cn1nnnc1CC[N@H+](C)CC(C)(C)[NH3+] ZINC000866669336 589510011 /nfs/dbraw/zinc/51/00/11/589510011.db2.gz YOHJXKCDJXQJGV-UHFFFAOYSA-N 2 2 212.301 -0.578 20 0 BBADLP Cn1nnnc1CC[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000866671745 589510471 /nfs/dbraw/zinc/51/04/71/589510471.db2.gz ZIDCEQOYONGLEG-JTQLQIEISA-N 2 2 238.339 -0.044 20 0 BBADLP Cn1nnnc1CC[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000866671745 589510470 /nfs/dbraw/zinc/51/04/70/589510470.db2.gz ZIDCEQOYONGLEG-JTQLQIEISA-N 2 2 238.339 -0.044 20 0 BBADLP Cn1nnnc1CC[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000866671746 589510865 /nfs/dbraw/zinc/51/08/65/589510865.db2.gz ZIDCEQOYONGLEG-SNVBAGLBSA-N 2 2 238.339 -0.044 20 0 BBADLP Cn1nnnc1CC[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000866671746 589510863 /nfs/dbraw/zinc/51/08/63/589510863.db2.gz ZIDCEQOYONGLEG-SNVBAGLBSA-N 2 2 238.339 -0.044 20 0 BBADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCc1nnnn1C ZINC000866682624 589511388 /nfs/dbraw/zinc/51/13/88/589511388.db2.gz LMPURKMDIZPBGV-HTQZYQBOSA-N 2 2 210.285 -0.826 20 0 BBADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCc1nnnn1C ZINC000866682624 589511387 /nfs/dbraw/zinc/51/13/87/589511387.db2.gz LMPURKMDIZPBGV-HTQZYQBOSA-N 2 2 210.285 -0.826 20 0 BBADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCc1nnnn1C ZINC000866682625 589511455 /nfs/dbraw/zinc/51/14/55/589511455.db2.gz LMPURKMDIZPBGV-JGVFFNPUSA-N 2 2 210.285 -0.826 20 0 BBADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCc1nnnn1C ZINC000866682625 589511453 /nfs/dbraw/zinc/51/14/53/589511453.db2.gz LMPURKMDIZPBGV-JGVFFNPUSA-N 2 2 210.285 -0.826 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCc1nnnn1C ZINC000866682626 589511554 /nfs/dbraw/zinc/51/15/54/589511554.db2.gz LMPURKMDIZPBGV-SFYZADRCSA-N 2 2 210.285 -0.826 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCc1nnnn1C ZINC000866682626 589511552 /nfs/dbraw/zinc/51/15/52/589511552.db2.gz LMPURKMDIZPBGV-SFYZADRCSA-N 2 2 210.285 -0.826 20 0 BBADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCc1nnnn1C ZINC000866682627 589511347 /nfs/dbraw/zinc/51/13/47/589511347.db2.gz LMPURKMDIZPBGV-YUMQZZPRSA-N 2 2 210.285 -0.826 20 0 BBADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCc1nnnn1C ZINC000866682627 589511346 /nfs/dbraw/zinc/51/13/46/589511346.db2.gz LMPURKMDIZPBGV-YUMQZZPRSA-N 2 2 210.285 -0.826 20 0 BBADLP CNC(=O)NC[C@H]1CCCC[N@H+]1CC[NH3+] ZINC000866685832 589511986 /nfs/dbraw/zinc/51/19/86/589511986.db2.gz ZPMQTHPPTSIYNI-SECBINFHSA-N 2 2 214.313 -0.271 20 0 BBADLP CNC(=O)NC[C@H]1CCCC[N@@H+]1CC[NH3+] ZINC000866685832 589511985 /nfs/dbraw/zinc/51/19/85/589511985.db2.gz ZPMQTHPPTSIYNI-SECBINFHSA-N 2 2 214.313 -0.271 20 0 BBADLP CNC(=O)NC[C@@H]1CCCC[N@H+]1CC[NH3+] ZINC000866685833 589511806 /nfs/dbraw/zinc/51/18/06/589511806.db2.gz ZPMQTHPPTSIYNI-VIFPVBQESA-N 2 2 214.313 -0.271 20 0 BBADLP CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC[NH3+] ZINC000866685833 589511805 /nfs/dbraw/zinc/51/18/05/589511805.db2.gz ZPMQTHPPTSIYNI-VIFPVBQESA-N 2 2 214.313 -0.271 20 0 BBADLP Cn1nnnc1CC[N@H+]1CC[NH2+]CCC1(C)C ZINC000866697050 589512605 /nfs/dbraw/zinc/51/26/05/589512605.db2.gz DZRSMXDZHZNRKS-UHFFFAOYSA-N 2 2 238.339 -0.174 20 0 BBADLP Cn1nnnc1CC[N@@H+]1CC[NH2+]CCC1(C)C ZINC000866697050 589512604 /nfs/dbraw/zinc/51/26/04/589512604.db2.gz DZRSMXDZHZNRKS-UHFFFAOYSA-N 2 2 238.339 -0.174 20 0 BBADLP CC1(C)CC[NH2+]CC[N@H+]1CCNS(C)(=O)=O ZINC000866699078 589513078 /nfs/dbraw/zinc/51/30/78/589513078.db2.gz IAADFLVTCWYBIZ-UHFFFAOYSA-N 2 2 249.380 -0.391 20 0 BBADLP CC1(C)CC[NH2+]CC[N@@H+]1CCNS(C)(=O)=O ZINC000866699078 589513077 /nfs/dbraw/zinc/51/30/77/589513077.db2.gz IAADFLVTCWYBIZ-UHFFFAOYSA-N 2 2 249.380 -0.391 20 0 BBADLP CC1(C)CC[NH2+]CC[N@H+]1CCN1CC[NH2+]CC1 ZINC000866699082 589513143 /nfs/dbraw/zinc/51/31/43/589513143.db2.gz IEEIGEAYRNJCGR-UHFFFAOYSA-N 3 2 240.395 -0.035 20 0 BBADLP CC1(C)CC[NH2+]CC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000866699082 589513141 /nfs/dbraw/zinc/51/31/41/589513141.db2.gz IEEIGEAYRNJCGR-UHFFFAOYSA-N 3 2 240.395 -0.035 20 0 BBADLP C[NH2+]C[C@](C)(O)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866704286 589514032 /nfs/dbraw/zinc/51/40/32/589514032.db2.gz SQGIWAYAEVDFLS-AGIUHOORSA-N 3 2 241.379 -0.017 20 0 BBADLP C[NH2+]C[C@](C)(O)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866704286 589514031 /nfs/dbraw/zinc/51/40/31/589514031.db2.gz SQGIWAYAEVDFLS-AGIUHOORSA-N 3 2 241.379 -0.017 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000866704286 589514030 /nfs/dbraw/zinc/51/40/30/589514030.db2.gz SQGIWAYAEVDFLS-AGIUHOORSA-N 3 2 241.379 -0.017 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000866704286 589514029 /nfs/dbraw/zinc/51/40/29/589514029.db2.gz SQGIWAYAEVDFLS-AGIUHOORSA-N 3 2 241.379 -0.017 20 0 BBADLP [NH3+]CCC[N@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000866717712 589515370 /nfs/dbraw/zinc/51/53/70/589515370.db2.gz NCQVHVDCIJPHSK-NXEZZACHSA-N 2 2 227.308 -0.685 20 0 BBADLP [NH3+]CCC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000866717712 589515368 /nfs/dbraw/zinc/51/53/68/589515368.db2.gz NCQVHVDCIJPHSK-NXEZZACHSA-N 2 2 227.308 -0.685 20 0 BBADLP [NH3+]CCC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000866717713 589515145 /nfs/dbraw/zinc/51/51/45/589515145.db2.gz NCQVHVDCIJPHSK-UWVGGRQHSA-N 2 2 227.308 -0.685 20 0 BBADLP [NH3+]CCC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000866717713 589515144 /nfs/dbraw/zinc/51/51/44/589515144.db2.gz NCQVHVDCIJPHSK-UWVGGRQHSA-N 2 2 227.308 -0.685 20 0 BBADLP [NH3+]CCC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000866717714 589515209 /nfs/dbraw/zinc/51/52/09/589515209.db2.gz NCQVHVDCIJPHSK-VHSXEESVSA-N 2 2 227.308 -0.685 20 0 BBADLP [NH3+]CCC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000866717714 589515208 /nfs/dbraw/zinc/51/52/08/589515208.db2.gz NCQVHVDCIJPHSK-VHSXEESVSA-N 2 2 227.308 -0.685 20 0 BBADLP [NH3+]CCC[N@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000866717715 589515430 /nfs/dbraw/zinc/51/54/30/589515430.db2.gz NCQVHVDCIJPHSK-ZJUUUORDSA-N 2 2 227.308 -0.685 20 0 BBADLP [NH3+]CCC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000866717715 589515429 /nfs/dbraw/zinc/51/54/29/589515429.db2.gz NCQVHVDCIJPHSK-ZJUUUORDSA-N 2 2 227.308 -0.685 20 0 BBADLP C[NH2+]CCC[N@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000866717924 589515382 /nfs/dbraw/zinc/51/53/82/589515382.db2.gz UESBADGHQUUIOX-GHMZBOCLSA-N 2 2 241.335 -0.425 20 0 BBADLP C[NH2+]CCC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000866717924 589515381 /nfs/dbraw/zinc/51/53/81/589515381.db2.gz UESBADGHQUUIOX-GHMZBOCLSA-N 2 2 241.335 -0.425 20 0 BBADLP C[NH2+]CCC[N@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000866717925 589515342 /nfs/dbraw/zinc/51/53/42/589515342.db2.gz UESBADGHQUUIOX-MNOVXSKESA-N 2 2 241.335 -0.425 20 0 BBADLP C[NH2+]CCC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000866717925 589515340 /nfs/dbraw/zinc/51/53/40/589515340.db2.gz UESBADGHQUUIOX-MNOVXSKESA-N 2 2 241.335 -0.425 20 0 BBADLP C[NH2+]CCC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000866717926 589515282 /nfs/dbraw/zinc/51/52/82/589515282.db2.gz UESBADGHQUUIOX-QWRGUYRKSA-N 2 2 241.335 -0.425 20 0 BBADLP C[NH2+]CCC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000866717926 589515281 /nfs/dbraw/zinc/51/52/81/589515281.db2.gz UESBADGHQUUIOX-QWRGUYRKSA-N 2 2 241.335 -0.425 20 0 BBADLP C[NH2+]CCC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000866717927 589515543 /nfs/dbraw/zinc/51/55/43/589515543.db2.gz UESBADGHQUUIOX-WDEREUQCSA-N 2 2 241.335 -0.425 20 0 BBADLP C[NH2+]CCC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000866717927 589515542 /nfs/dbraw/zinc/51/55/42/589515542.db2.gz UESBADGHQUUIOX-WDEREUQCSA-N 2 2 241.335 -0.425 20 0 BBADLP C(C[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21)N1CC[NH2+]CC1 ZINC000866724793 589515762 /nfs/dbraw/zinc/51/57/62/589515762.db2.gz MZAUKASFQDBLNT-CHWSQXEVSA-N 3 2 238.379 -0.282 20 0 BBADLP C(C[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21)N1CC[NH2+]CC1 ZINC000866724793 589515761 /nfs/dbraw/zinc/51/57/61/589515761.db2.gz MZAUKASFQDBLNT-CHWSQXEVSA-N 3 2 238.379 -0.282 20 0 BBADLP C(C[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21)N1CC[NH2+]CC1 ZINC000866724795 589515755 /nfs/dbraw/zinc/51/57/55/589515755.db2.gz MZAUKASFQDBLNT-OLZOCXBDSA-N 3 2 238.379 -0.282 20 0 BBADLP C(C[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21)N1CC[NH2+]CC1 ZINC000866724795 589515754 /nfs/dbraw/zinc/51/57/54/589515754.db2.gz MZAUKASFQDBLNT-OLZOCXBDSA-N 3 2 238.379 -0.282 20 0 BBADLP C(C[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21)N1CC[NH2+]CC1 ZINC000866724797 589515805 /nfs/dbraw/zinc/51/58/05/589515805.db2.gz MZAUKASFQDBLNT-QWHCGFSZSA-N 3 2 238.379 -0.282 20 0 BBADLP C(C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21)N1CC[NH2+]CC1 ZINC000866724797 589515804 /nfs/dbraw/zinc/51/58/04/589515804.db2.gz MZAUKASFQDBLNT-QWHCGFSZSA-N 3 2 238.379 -0.282 20 0 BBADLP C(C[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CC[NH2+]CC1 ZINC000866724798 589515749 /nfs/dbraw/zinc/51/57/49/589515749.db2.gz MZAUKASFQDBLNT-STQMWFEESA-N 3 2 238.379 -0.282 20 0 BBADLP C(C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CC[NH2+]CC1 ZINC000866724798 589515748 /nfs/dbraw/zinc/51/57/48/589515748.db2.gz MZAUKASFQDBLNT-STQMWFEESA-N 3 2 238.379 -0.282 20 0 BBADLP CN(CCC[NH+](C)C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867223891 587861317 /nfs/dbraw/zinc/86/13/17/587861317.db2.gz YNEGHTOPJQZALS-JTQLQIEISA-N 2 2 240.307 -0.147 20 0 BBADLP CN(CCC[NH+](C)C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867223892 587861252 /nfs/dbraw/zinc/86/12/52/587861252.db2.gz YNEGHTOPJQZALS-SNVBAGLBSA-N 2 2 240.307 -0.147 20 0 BBADLP C[N@H+]1CCn2nc(NC(=O)[C@@H]3C[C@@H]3[NH3+])cc2C1 ZINC000868036697 589545936 /nfs/dbraw/zinc/54/59/36/589545936.db2.gz GWIMNFQMTYKCLI-BDAKNGLRSA-N 2 2 235.291 -0.386 20 0 BBADLP C[N@@H+]1CCn2nc(NC(=O)[C@@H]3C[C@@H]3[NH3+])cc2C1 ZINC000868036697 589545935 /nfs/dbraw/zinc/54/59/35/589545935.db2.gz GWIMNFQMTYKCLI-BDAKNGLRSA-N 2 2 235.291 -0.386 20 0 BBADLP C[NH2+][C@@H](C)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000868036802 589545852 /nfs/dbraw/zinc/54/58/52/589545852.db2.gz JJERYIPFEWAUMO-QMMMGPOBSA-N 2 2 237.307 -0.125 20 0 BBADLP C[NH2+][C@@H](C)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000868036802 589545851 /nfs/dbraw/zinc/54/58/51/589545851.db2.gz JJERYIPFEWAUMO-QMMMGPOBSA-N 2 2 237.307 -0.125 20 0 BBADLP C[C@H](C[NH3+])C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000868036904 589545598 /nfs/dbraw/zinc/54/55/98/589545598.db2.gz LHRRRHOZSKNACI-MRVPVSSYSA-N 2 2 237.307 -0.138 20 0 BBADLP C[C@H](C[NH3+])C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000868036904 589545596 /nfs/dbraw/zinc/54/55/96/589545596.db2.gz LHRRRHOZSKNACI-MRVPVSSYSA-N 2 2 237.307 -0.138 20 0 BBADLP C[C@@H](C[NH3+])C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000868036905 589545534 /nfs/dbraw/zinc/54/55/34/589545534.db2.gz LHRRRHOZSKNACI-QMMMGPOBSA-N 2 2 237.307 -0.138 20 0 BBADLP C[C@@H](C[NH3+])C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000868036905 589545532 /nfs/dbraw/zinc/54/55/32/589545532.db2.gz LHRRRHOZSKNACI-QMMMGPOBSA-N 2 2 237.307 -0.138 20 0 BBADLP CC[NH2+]CC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000868037020 589545566 /nfs/dbraw/zinc/54/55/66/589545566.db2.gz NOYBZECJBRCLIO-UHFFFAOYSA-N 2 2 237.307 -0.124 20 0 BBADLP CC[NH2+]CC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000868037020 589545564 /nfs/dbraw/zinc/54/55/64/589545564.db2.gz NOYBZECJBRCLIO-UHFFFAOYSA-N 2 2 237.307 -0.124 20 0 BBADLP C[N@H+]1CCn2nc(NC(=O)[C@H]3CC[NH2+]3)cc2C1 ZINC000868037841 589545889 /nfs/dbraw/zinc/54/58/89/589545889.db2.gz XZSUUPCIODPXHH-SECBINFHSA-N 2 2 235.291 -0.371 20 0 BBADLP C[N@@H+]1CCn2nc(NC(=O)[C@H]3CC[NH2+]3)cc2C1 ZINC000868037841 589545887 /nfs/dbraw/zinc/54/58/87/589545887.db2.gz XZSUUPCIODPXHH-SECBINFHSA-N 2 2 235.291 -0.371 20 0 BBADLP CN(CC1C[NH+](C)C1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000869256547 589594435 /nfs/dbraw/zinc/59/44/35/589594435.db2.gz YGOZIUASDBWZDA-JTQLQIEISA-N 2 2 238.291 -0.537 20 0 BBADLP CN(CC1C[NH+](C)C1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000869256555 589594581 /nfs/dbraw/zinc/59/45/81/589594581.db2.gz YGOZIUASDBWZDA-SNVBAGLBSA-N 2 2 238.291 -0.537 20 0 BBADLP C[C@@H]([NH3+])CC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000870882990 589694265 /nfs/dbraw/zinc/69/42/65/589694265.db2.gz XKGZUKRDIVCJHA-GMTAPVOTSA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@@H]([NH3+])CC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000870882992 589694226 /nfs/dbraw/zinc/69/42/26/589694226.db2.gz XKGZUKRDIVCJHA-MXWKQRLJSA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@@H]([NH3+])CC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000870882994 589694047 /nfs/dbraw/zinc/69/40/47/589694047.db2.gz XKGZUKRDIVCJHA-OUAUKWLOSA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@@H]([NH3+])CC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000870882995 589694270 /nfs/dbraw/zinc/69/42/70/589694270.db2.gz XKGZUKRDIVCJHA-VWYCJHECSA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@@H]([NH3+])CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000870952916 589701220 /nfs/dbraw/zinc/70/12/20/589701220.db2.gz ARBRTOAOGVKDBY-GMTAPVOTSA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@@H]([NH3+])CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000870952916 589701219 /nfs/dbraw/zinc/70/12/19/589701219.db2.gz ARBRTOAOGVKDBY-GMTAPVOTSA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@@H]([NH3+])CC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000870952917 589701192 /nfs/dbraw/zinc/70/11/92/589701192.db2.gz ARBRTOAOGVKDBY-MXWKQRLJSA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@@H]([NH3+])CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000870952917 589701190 /nfs/dbraw/zinc/70/11/90/589701190.db2.gz ARBRTOAOGVKDBY-MXWKQRLJSA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@@H]([NH3+])CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000870952918 589701256 /nfs/dbraw/zinc/70/12/56/589701256.db2.gz ARBRTOAOGVKDBY-OUAUKWLOSA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@@H]([NH3+])CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000870952918 589701255 /nfs/dbraw/zinc/70/12/55/589701255.db2.gz ARBRTOAOGVKDBY-OUAUKWLOSA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@@H]([NH3+])CC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000870952919 589701054 /nfs/dbraw/zinc/70/10/54/589701054.db2.gz ARBRTOAOGVKDBY-VWYCJHECSA-N 2 2 243.351 -0.051 20 0 BBADLP C[C@@H]([NH3+])CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000870952919 589701052 /nfs/dbraw/zinc/70/10/52/589701052.db2.gz ARBRTOAOGVKDBY-VWYCJHECSA-N 2 2 243.351 -0.051 20 0 BBADLP C[NH2+]CCC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000871010877 589711305 /nfs/dbraw/zinc/71/13/05/589711305.db2.gz KJLPFFNQEDGYPO-UHFFFAOYSA-N 2 2 237.307 -0.124 20 0 BBADLP C[NH2+]CCC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000871010877 589711303 /nfs/dbraw/zinc/71/13/03/589711303.db2.gz KJLPFFNQEDGYPO-UHFFFAOYSA-N 2 2 237.307 -0.124 20 0 BBADLP COCCN(C)C(=[NH2+])NCCn1cc[nH+]c1 ZINC000871603185 589772972 /nfs/dbraw/zinc/77/29/72/589772972.db2.gz INJQWSVMKNFRPI-UHFFFAOYSA-N 2 2 225.296 -0.014 20 0 BBADLP CC[C@@H]1COCC[N@H+]1CCNC(N)=[NH2+] ZINC000871603661 589774119 /nfs/dbraw/zinc/77/41/19/589774119.db2.gz ZUMKBLYOQOZMRY-MRVPVSSYSA-N 2 2 200.286 -0.420 20 0 BBADLP CC[C@@H]1COCC[N@@H+]1CCNC(N)=[NH2+] ZINC000871603661 589774116 /nfs/dbraw/zinc/77/41/16/589774116.db2.gz ZUMKBLYOQOZMRY-MRVPVSSYSA-N 2 2 200.286 -0.420 20 0 BBADLP CC[C@H]1COCC[N@H+]1CCNC(N)=[NH2+] ZINC000871603669 589774357 /nfs/dbraw/zinc/77/43/57/589774357.db2.gz ZUMKBLYOQOZMRY-QMMMGPOBSA-N 2 2 200.286 -0.420 20 0 BBADLP CC[C@H]1COCC[N@@H+]1CCNC(N)=[NH2+] ZINC000871603669 589774355 /nfs/dbraw/zinc/77/43/55/589774355.db2.gz ZUMKBLYOQOZMRY-QMMMGPOBSA-N 2 2 200.286 -0.420 20 0 BBADLP COCCN(C)C(=[NH2+])NCC[N@@H+](C)CCOC ZINC000871604177 589774261 /nfs/dbraw/zinc/77/42/61/589774261.db2.gz WPYZUUPQDOPSQL-UHFFFAOYSA-N 2 2 246.355 -0.333 20 0 BBADLP COCCN(C)C(=[NH2+])NCC[N@H+](C)CCOC ZINC000871604177 589774259 /nfs/dbraw/zinc/77/42/59/589774259.db2.gz WPYZUUPQDOPSQL-UHFFFAOYSA-N 2 2 246.355 -0.333 20 0 BBADLP COCCN(C)C(=[NH2+])NCC[NH+]1CCC1 ZINC000871604888 589774034 /nfs/dbraw/zinc/77/40/34/589774034.db2.gz IEYZEPYUWIZCHH-UHFFFAOYSA-N 2 2 214.313 -0.205 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCOC[C@H]1O ZINC000872141169 589881714 /nfs/dbraw/zinc/88/17/14/589881714.db2.gz OOUCRGAPJHTOEH-GWOFURMSSA-N 2 2 214.309 -0.324 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCOC[C@H]1O ZINC000872141169 589881713 /nfs/dbraw/zinc/88/17/13/589881713.db2.gz OOUCRGAPJHTOEH-GWOFURMSSA-N 2 2 214.309 -0.324 20 0 BBADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCOC[C@H]1O ZINC000872141170 589881800 /nfs/dbraw/zinc/88/18/00/589881800.db2.gz OOUCRGAPJHTOEH-LNFKQOIKSA-N 2 2 214.309 -0.324 20 0 BBADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCOC[C@H]1O ZINC000872141170 589881798 /nfs/dbraw/zinc/88/17/98/589881798.db2.gz OOUCRGAPJHTOEH-LNFKQOIKSA-N 2 2 214.309 -0.324 20 0 BBADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCOC[C@H]1O ZINC000872141171 589881823 /nfs/dbraw/zinc/88/18/23/589881823.db2.gz OOUCRGAPJHTOEH-ZRUFSTJUSA-N 2 2 214.309 -0.324 20 0 BBADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCOC[C@H]1O ZINC000872141171 589881822 /nfs/dbraw/zinc/88/18/22/589881822.db2.gz OOUCRGAPJHTOEH-ZRUFSTJUSA-N 2 2 214.309 -0.324 20 0 BBADLP Cn1nccc1CC[N@@H+](CC[NH3+])CCO ZINC000872142883 589883147 /nfs/dbraw/zinc/88/31/47/589883147.db2.gz DFNLJLTYQZAFKU-UHFFFAOYSA-N 2 2 212.297 -0.784 20 0 BBADLP Cn1nccc1CC[N@H+](CC[NH3+])CCO ZINC000872142883 589883146 /nfs/dbraw/zinc/88/31/46/589883146.db2.gz DFNLJLTYQZAFKU-UHFFFAOYSA-N 2 2 212.297 -0.784 20 0 BBADLP C[C@@H]1CC[C@H](C[N@@H+](CC[NH3+])CCO)O1 ZINC000872144168 589883601 /nfs/dbraw/zinc/88/36/01/589883601.db2.gz WPAKUNYWKZMTGJ-NXEZZACHSA-N 2 2 202.298 -0.193 20 0 BBADLP C[C@@H]1CC[C@H](C[N@H+](CC[NH3+])CCO)O1 ZINC000872144168 589883599 /nfs/dbraw/zinc/88/35/99/589883599.db2.gz WPAKUNYWKZMTGJ-NXEZZACHSA-N 2 2 202.298 -0.193 20 0 BBADLP C[C@H]1CC[C@@H](C[N@@H+](CC[NH3+])CCO)O1 ZINC000872144169 589883496 /nfs/dbraw/zinc/88/34/96/589883496.db2.gz WPAKUNYWKZMTGJ-UWVGGRQHSA-N 2 2 202.298 -0.193 20 0 BBADLP C[C@H]1CC[C@@H](C[N@H+](CC[NH3+])CCO)O1 ZINC000872144169 589883488 /nfs/dbraw/zinc/88/34/88/589883488.db2.gz WPAKUNYWKZMTGJ-UWVGGRQHSA-N 2 2 202.298 -0.193 20 0 BBADLP C[C@H]1CC[C@H](C[N@@H+](CC[NH3+])CCO)O1 ZINC000872144170 589883050 /nfs/dbraw/zinc/88/30/50/589883050.db2.gz WPAKUNYWKZMTGJ-VHSXEESVSA-N 2 2 202.298 -0.193 20 0 BBADLP C[C@H]1CC[C@H](C[N@H+](CC[NH3+])CCO)O1 ZINC000872144170 589883048 /nfs/dbraw/zinc/88/30/48/589883048.db2.gz WPAKUNYWKZMTGJ-VHSXEESVSA-N 2 2 202.298 -0.193 20 0 BBADLP C[C@@H]1CC[C@@H](C[N@@H+](CC[NH3+])CCO)O1 ZINC000872144171 589884100 /nfs/dbraw/zinc/88/41/00/589884100.db2.gz WPAKUNYWKZMTGJ-ZJUUUORDSA-N 2 2 202.298 -0.193 20 0 BBADLP C[C@@H]1CC[C@@H](C[N@H+](CC[NH3+])CCO)O1 ZINC000872144171 589884099 /nfs/dbraw/zinc/88/40/99/589884099.db2.gz WPAKUNYWKZMTGJ-ZJUUUORDSA-N 2 2 202.298 -0.193 20 0 BBADLP CO[C@H]1C[C@@H](C[N@@H+](CC[NH3+])C[C@H](O)CO)C1 ZINC000872145363 589884440 /nfs/dbraw/zinc/88/44/40/589884440.db2.gz RQPYTRJXSMHBJO-GARJFASQSA-N 2 2 232.324 -0.975 20 0 BBADLP CO[C@H]1C[C@@H](C[N@H+](CC[NH3+])C[C@H](O)CO)C1 ZINC000872145363 589884437 /nfs/dbraw/zinc/88/44/37/589884437.db2.gz RQPYTRJXSMHBJO-GARJFASQSA-N 2 2 232.324 -0.975 20 0 BBADLP CO[C@H]1C[C@@H](C[N@@H+](CC[NH3+])C[C@@H](O)CO)C1 ZINC000872145364 589884410 /nfs/dbraw/zinc/88/44/10/589884410.db2.gz RQPYTRJXSMHBJO-MXWKQRLJSA-N 2 2 232.324 -0.975 20 0 BBADLP CO[C@H]1C[C@@H](C[N@H+](CC[NH3+])C[C@@H](O)CO)C1 ZINC000872145364 589884407 /nfs/dbraw/zinc/88/44/07/589884407.db2.gz RQPYTRJXSMHBJO-MXWKQRLJSA-N 2 2 232.324 -0.975 20 0 BBADLP Cn1nnnc1C1CC[NH+](CC[NH3+])CC1 ZINC000872146173 589885480 /nfs/dbraw/zinc/88/54/80/589885480.db2.gz HNCASHJFCDUUCD-UHFFFAOYSA-N 2 2 210.285 -0.652 20 0 BBADLP [NH3+]CCOCC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000872146182 589884604 /nfs/dbraw/zinc/88/46/04/589884604.db2.gz HOONEBCBDBQEEV-MRVPVSSYSA-N 2 2 224.251 -0.072 20 0 BBADLP [NH3+]CCOCC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000872146182 589884601 /nfs/dbraw/zinc/88/46/01/589884601.db2.gz HOONEBCBDBQEEV-MRVPVSSYSA-N 2 2 224.251 -0.072 20 0 BBADLP [NH3+]CCOCC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000872146183 589885173 /nfs/dbraw/zinc/88/51/73/589885173.db2.gz HOONEBCBDBQEEV-QMMMGPOBSA-N 2 2 224.251 -0.072 20 0 BBADLP [NH3+]CCOCC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000872146183 589885167 /nfs/dbraw/zinc/88/51/67/589885167.db2.gz HOONEBCBDBQEEV-QMMMGPOBSA-N 2 2 224.251 -0.072 20 0 BBADLP FC(F)[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000872146788 589884914 /nfs/dbraw/zinc/88/49/14/589884914.db2.gz XJXVSDKVSVJVAZ-JTQLQIEISA-N 2 2 249.305 -0.143 20 0 BBADLP FC(F)[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000872146788 589884912 /nfs/dbraw/zinc/88/49/12/589884912.db2.gz XJXVSDKVSVJVAZ-JTQLQIEISA-N 2 2 249.305 -0.143 20 0 BBADLP FC(F)[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000872146789 589885183 /nfs/dbraw/zinc/88/51/83/589885183.db2.gz XJXVSDKVSVJVAZ-SNVBAGLBSA-N 2 2 249.305 -0.143 20 0 BBADLP FC(F)[C@H]1C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000872146789 589885181 /nfs/dbraw/zinc/88/51/81/589885181.db2.gz XJXVSDKVSVJVAZ-SNVBAGLBSA-N 2 2 249.305 -0.143 20 0 BBADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCNS(C)(=O)=O)C2 ZINC000872153250 589884817 /nfs/dbraw/zinc/88/48/17/589884817.db2.gz DSIMLQQSXYEZNJ-VHSXEESVSA-N 2 2 247.364 -0.923 20 0 BBADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCNS(C)(=O)=O)C2 ZINC000872153250 589884815 /nfs/dbraw/zinc/88/48/15/589884815.db2.gz DSIMLQQSXYEZNJ-VHSXEESVSA-N 2 2 247.364 -0.923 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154834 589886048 /nfs/dbraw/zinc/88/60/48/589886048.db2.gz ZPZUHUNWPDGFSC-QJPTWQEYSA-N 3 2 227.352 -0.502 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154834 589886046 /nfs/dbraw/zinc/88/60/46/589886046.db2.gz ZPZUHUNWPDGFSC-QJPTWQEYSA-N 3 2 227.352 -0.502 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154835 589885808 /nfs/dbraw/zinc/88/58/08/589885808.db2.gz ZPZUHUNWPDGFSC-TUAOUCFPSA-N 3 2 227.352 -0.502 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154835 589885805 /nfs/dbraw/zinc/88/58/05/589885805.db2.gz ZPZUHUNWPDGFSC-TUAOUCFPSA-N 3 2 227.352 -0.502 20 0 BBADLP CC(C)(O)C[C@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000872198007 589889710 /nfs/dbraw/zinc/88/97/10/589889710.db2.gz LFMRWORHKPETLC-JTQLQIEISA-N 2 2 227.308 -0.005 20 0 BBADLP CC(C)(O)C[C@@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000872198008 589889214 /nfs/dbraw/zinc/88/92/14/589889214.db2.gz LFMRWORHKPETLC-SNVBAGLBSA-N 2 2 227.308 -0.005 20 0 BBADLP CC[N@@H+](CCO)CC[NH2+]C[C@H](O)CC(C)(C)O ZINC000872215019 589894680 /nfs/dbraw/zinc/89/46/80/589894680.db2.gz NKIJQTQMDDBRNM-LLVKDONJSA-N 2 2 248.367 -0.588 20 0 BBADLP CC[N@H+](CCO)CC[NH2+]C[C@H](O)CC(C)(C)O ZINC000872215019 589894679 /nfs/dbraw/zinc/89/46/79/589894679.db2.gz NKIJQTQMDDBRNM-LLVKDONJSA-N 2 2 248.367 -0.588 20 0 BBADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]CCC(N)=O)C1 ZINC000872218486 589895829 /nfs/dbraw/zinc/89/58/29/589895829.db2.gz OQQLQXSKYOTEIP-VIFPVBQESA-N 2 2 229.324 -0.703 20 0 BBADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]CCC(N)=O)C1 ZINC000872218486 589895828 /nfs/dbraw/zinc/89/58/28/589895828.db2.gz OQQLQXSKYOTEIP-VIFPVBQESA-N 2 2 229.324 -0.703 20 0 BBADLP C[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000872219044 589896056 /nfs/dbraw/zinc/89/60/56/589896056.db2.gz UTNLPGPKLSZVSD-UWVGGRQHSA-N 2 2 216.325 -0.198 20 0 BBADLP C[C@H](O)C[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000872219044 589896055 /nfs/dbraw/zinc/89/60/55/589896055.db2.gz UTNLPGPKLSZVSD-UWVGGRQHSA-N 2 2 216.325 -0.198 20 0 BBADLP C[C@@H](O)C[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000872219046 589896262 /nfs/dbraw/zinc/89/62/62/589896262.db2.gz UTNLPGPKLSZVSD-ZJUUUORDSA-N 2 2 216.325 -0.198 20 0 BBADLP C[C@@H](O)C[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000872219046 589896259 /nfs/dbraw/zinc/89/62/59/589896259.db2.gz UTNLPGPKLSZVSD-ZJUUUORDSA-N 2 2 216.325 -0.198 20 0 BBADLP COC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000872219403 589896038 /nfs/dbraw/zinc/89/60/38/589896038.db2.gz ZHCSMTXXUFHJDR-QWRGUYRKSA-N 2 2 246.351 -0.572 20 0 BBADLP COC[C@@H](O)C[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000872219403 589896037 /nfs/dbraw/zinc/89/60/37/589896037.db2.gz ZHCSMTXXUFHJDR-QWRGUYRKSA-N 2 2 246.351 -0.572 20 0 BBADLP COC[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000872219406 589895694 /nfs/dbraw/zinc/89/56/94/589895694.db2.gz ZHCSMTXXUFHJDR-WDEREUQCSA-N 2 2 246.351 -0.572 20 0 BBADLP COC[C@H](O)C[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000872219406 589895692 /nfs/dbraw/zinc/89/56/92/589895692.db2.gz ZHCSMTXXUFHJDR-WDEREUQCSA-N 2 2 246.351 -0.572 20 0 BBADLP CN1CCN(C(=O)C[NH3+])Cc2ccc[nH+]c21 ZINC000872314354 589910235 /nfs/dbraw/zinc/91/02/35/589910235.db2.gz AWXVUQAFHGZGCD-UHFFFAOYSA-N 2 2 220.276 -0.181 20 0 BBADLP Nc1cnc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000873208808 589994589 /nfs/dbraw/zinc/99/45/89/589994589.db2.gz GXWXYAPVZUMFHE-DTORHVGOSA-N 2 2 219.292 -0.290 20 0 BBADLP Nc1cnc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000873208808 589994587 /nfs/dbraw/zinc/99/45/87/589994587.db2.gz GXWXYAPVZUMFHE-DTORHVGOSA-N 2 2 219.292 -0.290 20 0 BBADLP C[N@@H+](Cc1cnc(N)cn1)C1CC([NH3+])C1 ZINC000873210637 589995324 /nfs/dbraw/zinc/99/53/24/589995324.db2.gz MNWPYLJEGUFQCG-UHFFFAOYSA-N 2 2 207.281 -0.020 20 0 BBADLP C[N@H+](Cc1cnc(N)cn1)C1CC([NH3+])C1 ZINC000873210637 589995323 /nfs/dbraw/zinc/99/53/23/589995323.db2.gz MNWPYLJEGUFQCG-UHFFFAOYSA-N 2 2 207.281 -0.020 20 0 BBADLP C[N@H+]1CCN(Cc2cnc(N)cn2)[C@@H](C[NH3+])C1 ZINC000873210916 589995010 /nfs/dbraw/zinc/99/50/10/589995010.db2.gz SGNWAUCRHIOOMC-JTQLQIEISA-N 2 2 236.323 -0.867 20 0 BBADLP C[N@@H+]1CCN(Cc2cnc(N)cn2)[C@@H](C[NH3+])C1 ZINC000873210916 589995009 /nfs/dbraw/zinc/99/50/09/589995009.db2.gz SGNWAUCRHIOOMC-JTQLQIEISA-N 2 2 236.323 -0.867 20 0 BBADLP C[N@H+]1CCN(Cc2cnc(N)cn2)[C@H](C[NH3+])C1 ZINC000873210917 589995197 /nfs/dbraw/zinc/99/51/97/589995197.db2.gz SGNWAUCRHIOOMC-SNVBAGLBSA-N 2 2 236.323 -0.867 20 0 BBADLP C[N@@H+]1CCN(Cc2cnc(N)cn2)[C@H](C[NH3+])C1 ZINC000873210917 589995196 /nfs/dbraw/zinc/99/51/96/589995196.db2.gz SGNWAUCRHIOOMC-SNVBAGLBSA-N 2 2 236.323 -0.867 20 0 BBADLP Nc1cnc(C[NH2+][C@H](C[NH3+])C2CC2)cn1 ZINC000873211140 589995996 /nfs/dbraw/zinc/99/59/96/589995996.db2.gz WJVULLFLBRRIRX-SECBINFHSA-N 2 2 207.281 -0.114 20 0 BBADLP Nc1cnc(C[NH2+][C@@H](C[NH3+])C2CC2)cn1 ZINC000873211141 589996099 /nfs/dbraw/zinc/99/60/99/589996099.db2.gz WJVULLFLBRRIRX-VIFPVBQESA-N 2 2 207.281 -0.114 20 0 BBADLP Nc1cnc(C[NH2+]C[C@@H]([NH3+])C2CC2)cn1 ZINC000873212159 589995745 /nfs/dbraw/zinc/99/57/45/589995745.db2.gz IOYQSBAZQVWYHI-SECBINFHSA-N 2 2 207.281 -0.114 20 0 BBADLP Nc1cnc(C[NH2+]C[C@H]([NH3+])C2CC2)cn1 ZINC000873212160 589996025 /nfs/dbraw/zinc/99/60/25/589996025.db2.gz IOYQSBAZQVWYHI-VIFPVBQESA-N 2 2 207.281 -0.114 20 0 BBADLP CCS(=O)(=O)CC[NH2+]CC12CC(C1)C[NH2+]2 ZINC000873212261 589996635 /nfs/dbraw/zinc/99/66/35/589996635.db2.gz YEWNKIYJPOPHBI-UHFFFAOYSA-N 2 2 232.349 -0.237 20 0 BBADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000873221202 590000111 /nfs/dbraw/zinc/00/01/11/590000111.db2.gz GTMMLSKZGPRCEF-AXFHLTTASA-N 2 2 216.325 -0.213 20 0 BBADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000873221202 590000110 /nfs/dbraw/zinc/00/01/10/590000110.db2.gz GTMMLSKZGPRCEF-AXFHLTTASA-N 2 2 216.325 -0.213 20 0 BBADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000873221203 589999885 /nfs/dbraw/zinc/99/98/85/589999885.db2.gz GTMMLSKZGPRCEF-MXWKQRLJSA-N 2 2 216.325 -0.213 20 0 BBADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000873221203 589999883 /nfs/dbraw/zinc/99/98/83/589999883.db2.gz GTMMLSKZGPRCEF-MXWKQRLJSA-N 2 2 216.325 -0.213 20 0 BBADLP CC(C)([NH3+])C[NH+]1CCC(CO)(CO)CC1 ZINC000873226963 590000258 /nfs/dbraw/zinc/00/02/58/590000258.db2.gz FIBVSNJAVPVUHK-UHFFFAOYSA-N 2 2 216.325 -0.210 20 0 BBADLP [NH3+][C@H]1C[C@@H](CNC(=O)NCCn2cc[nH+]c2)C1 ZINC000874433548 590110279 /nfs/dbraw/zinc/11/02/79/590110279.db2.gz LVFRLRQZVSLOCF-AOOOYVTPSA-N 2 2 237.307 -0.080 20 0 BBADLP [NH3+][C@H]1C[C@H](CNC(=O)NCCn2cc[nH+]c2)C1 ZINC000874433549 590109901 /nfs/dbraw/zinc/10/99/01/590109901.db2.gz LVFRLRQZVSLOCF-MGCOHNPYSA-N 2 2 237.307 -0.080 20 0 BBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C[NH+](C)C ZINC000874703565 590124364 /nfs/dbraw/zinc/12/43/64/590124364.db2.gz RDNDORXHOVUOCE-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C[NH+](C)C ZINC000874703565 590124362 /nfs/dbraw/zinc/12/43/62/590124362.db2.gz RDNDORXHOVUOCE-LLVKDONJSA-N 2 2 243.351 -0.225 20 0 BBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C[NH+](C)C ZINC000874703566 590124459 /nfs/dbraw/zinc/12/44/59/590124459.db2.gz RDNDORXHOVUOCE-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C[NH+](C)C ZINC000874703566 590124458 /nfs/dbraw/zinc/12/44/58/590124458.db2.gz RDNDORXHOVUOCE-NSHDSACASA-N 2 2 243.351 -0.225 20 0 BBADLP [NH3+][C@@H]1CCN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000876504837 590204261 /nfs/dbraw/zinc/20/42/61/590204261.db2.gz YKRKNALTFWDYPR-FMBMQGQPSA-N 2 2 239.319 -0.566 20 0 BBADLP [NH3+][C@@H]1CCN(C(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000876504838 590204026 /nfs/dbraw/zinc/20/40/26/590204026.db2.gz YKRKNALTFWDYPR-RFMOXSJOSA-N 2 2 239.319 -0.566 20 0 BBADLP [NH3+]CCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876505211 590204579 /nfs/dbraw/zinc/20/45/79/590204579.db2.gz PSUSKTKTUZYNHY-HNQUOIGGSA-N 2 2 227.308 -0.660 20 0 BBADLP [NH3+]CCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876505212 590204431 /nfs/dbraw/zinc/20/44/31/590204431.db2.gz PSUSKTKTUZYNHY-IWQZZHSRSA-N 2 2 227.308 -0.660 20 0 BBADLP O=C(/C=C/C[NH+]1CCOCC1)N1CC[NH2+]CC1 ZINC000876505635 584885584 /nfs/dbraw/zinc/88/55/84/584885584.db2.gz YSAXDNREGAZZDL-OWOJBTEDSA-N 2 2 239.319 -0.693 20 0 BBADLP O=C(/C=C\C[NH+]1CCOCC1)N1CC[NH2+]CC1 ZINC000876505636 584885647 /nfs/dbraw/zinc/88/56/47/584885647.db2.gz YSAXDNREGAZZDL-UPHRSURJSA-N 2 2 239.319 -0.693 20 0 BBADLP C[NH2+]CCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876508222 590204932 /nfs/dbraw/zinc/20/49/32/590204932.db2.gz XGUYXRDBQDKWMT-DUXPYHPUSA-N 2 2 241.335 -0.400 20 0 BBADLP C[NH2+]CCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876508232 590205103 /nfs/dbraw/zinc/20/51/03/590205103.db2.gz XGUYXRDBQDKWMT-RQOWECAXSA-N 2 2 241.335 -0.400 20 0 BBADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@H]1CC[NH2+]C1 ZINC000876510712 590205312 /nfs/dbraw/zinc/20/53/12/590205312.db2.gz PRCSJKHPGYFADT-BVBSBALXSA-N 2 2 239.319 -0.647 20 0 BBADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1CC[NH2+]C1 ZINC000876510713 590205266 /nfs/dbraw/zinc/20/52/66/590205266.db2.gz PRCSJKHPGYFADT-FMBMQGQPSA-N 2 2 239.319 -0.647 20 0 BBADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@H]1CC[NH2+]C1 ZINC000876510715 590205638 /nfs/dbraw/zinc/20/56/38/590205638.db2.gz PRCSJKHPGYFADT-GXFZAYBSSA-N 2 2 239.319 -0.647 20 0 BBADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1CC[NH2+]C1 ZINC000876510717 590205500 /nfs/dbraw/zinc/20/55/00/590205500.db2.gz PRCSJKHPGYFADT-RFMOXSJOSA-N 2 2 239.319 -0.647 20 0 BBADLP [NH3+][C@H]1CCN(C(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000876517645 590207093 /nfs/dbraw/zinc/20/70/93/590207093.db2.gz YKRKNALTFWDYPR-BVBSBALXSA-N 2 2 239.319 -0.566 20 0 BBADLP [NH3+][C@H]1CCN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000876517646 590207034 /nfs/dbraw/zinc/20/70/34/590207034.db2.gz YKRKNALTFWDYPR-GXFZAYBSSA-N 2 2 239.319 -0.566 20 0 BBADLP C[C@H]([NH3+])CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876518849 590207081 /nfs/dbraw/zinc/20/70/81/590207081.db2.gz LEPPMNDOAIKFRA-QUCGXOGASA-N 2 2 241.335 -0.272 20 0 BBADLP C[C@H]([NH3+])CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876518851 590207090 /nfs/dbraw/zinc/20/70/90/590207090.db2.gz LEPPMNDOAIKFRA-VUDBWIFFSA-N 2 2 241.335 -0.272 20 0 BBADLP CC[NH2+]CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876521249 590207524 /nfs/dbraw/zinc/20/75/24/590207524.db2.gz IWUCQKOCZUSXSI-ARJAWSKDSA-N 2 2 241.335 -0.400 20 0 BBADLP CC[NH2+]CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876521250 584885492 /nfs/dbraw/zinc/88/54/92/584885492.db2.gz IWUCQKOCZUSXSI-ONEGZZNKSA-N 2 2 241.335 -0.400 20 0 BBADLP C[NH2+]CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876521663 590207539 /nfs/dbraw/zinc/20/75/39/590207539.db2.gz SSYVXVSNCYHLIE-IHWYPQMZSA-N 2 2 227.308 -0.790 20 0 BBADLP C[NH2+]CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876521664 590207379 /nfs/dbraw/zinc/20/73/79/590207379.db2.gz SSYVXVSNCYHLIE-NSCUHMNNSA-N 2 2 227.308 -0.790 20 0 BBADLP C[NH+](C)C[C@H](N)C(=O)Nc1ccc(N)[nH+]c1 ZINC000876522891 590207664 /nfs/dbraw/zinc/20/76/64/590207664.db2.gz FWXMKKLORUKCJK-QMMMGPOBSA-N 2 2 223.280 -0.509 20 0 BBADLP CC(C)(C[NH3+])NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876523826 590207761 /nfs/dbraw/zinc/20/77/61/590207761.db2.gz FWLDHKMUVADHNB-ARJAWSKDSA-N 2 2 241.335 -0.272 20 0 BBADLP CC(C)(C[NH3+])NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876523828 590207927 /nfs/dbraw/zinc/20/79/27/590207927.db2.gz FWLDHKMUVADHNB-ONEGZZNKSA-N 2 2 241.335 -0.272 20 0 BBADLP C[C@@H](C[NH3+])N(C)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000876531552 590210356 /nfs/dbraw/zinc/21/03/56/590210356.db2.gz JMGHJMSJEJLFEB-BYCRGOAPSA-N 2 2 241.335 -0.320 20 0 BBADLP C[C@H](C[NH3+])N(C)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000876531553 590210244 /nfs/dbraw/zinc/21/02/44/590210244.db2.gz JMGHJMSJEJLFEB-DLRQAJBASA-N 2 2 241.335 -0.320 20 0 BBADLP C[C@H](C[NH3+])N(C)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000876531554 590210368 /nfs/dbraw/zinc/21/03/68/590210368.db2.gz JMGHJMSJEJLFEB-PGLGOXFNSA-N 2 2 241.335 -0.320 20 0 BBADLP C[C@@H](C[NH3+])N(C)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000876531555 590210376 /nfs/dbraw/zinc/21/03/76/590210376.db2.gz JMGHJMSJEJLFEB-UFFNRZRYSA-N 2 2 241.335 -0.320 20 0 BBADLP CN(CCC[NH3+])C(=O)/C=C/C[NH+]1CCOCC1 ZINC000876534959 590210794 /nfs/dbraw/zinc/21/07/94/590210794.db2.gz IUKWFYSFGKYJPZ-DUXPYHPUSA-N 2 2 241.335 -0.318 20 0 BBADLP CN(CCC[NH3+])C(=O)/C=C\C[NH+]1CCOCC1 ZINC000876534961 590210751 /nfs/dbraw/zinc/21/07/51/590210751.db2.gz IUKWFYSFGKYJPZ-RQOWECAXSA-N 2 2 241.335 -0.318 20 0 BBADLP CC(C)([NH3+])CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876539078 584886061 /nfs/dbraw/zinc/88/60/61/584886061.db2.gz UGGXTYFQROZFAK-ARJAWSKDSA-N 2 2 241.335 -0.272 20 0 BBADLP CC(C)([NH3+])CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876539079 584886146 /nfs/dbraw/zinc/88/61/46/584886146.db2.gz UGGXTYFQROZFAK-ONEGZZNKSA-N 2 2 241.335 -0.272 20 0 BBADLP COc1cc[nH+]cc1NC(=O)[C@@H](N)C[NH+](C)C ZINC000876741390 590235476 /nfs/dbraw/zinc/23/54/76/590235476.db2.gz IZMRYVPTMFAZQO-QMMMGPOBSA-N 2 2 238.291 -0.082 20 0 BBADLP C[C@H](C[NH3+])CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876786358 590240998 /nfs/dbraw/zinc/24/09/98/590240998.db2.gz GTXPJVJBRKFBFQ-KXMPLOMGSA-N 2 2 241.335 -0.414 20 0 BBADLP C[C@H](C[NH3+])CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876786359 590240969 /nfs/dbraw/zinc/24/09/69/590240969.db2.gz GTXPJVJBRKFBFQ-OTDNITJGSA-N 2 2 241.335 -0.414 20 0 BBADLP C[C@@H](C[NH3+])CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876786361 590240750 /nfs/dbraw/zinc/24/07/50/590240750.db2.gz GTXPJVJBRKFBFQ-QUCGXOGASA-N 2 2 241.335 -0.414 20 0 BBADLP C[C@@H](C[NH3+])CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876786362 590241041 /nfs/dbraw/zinc/24/10/41/590241041.db2.gz GTXPJVJBRKFBFQ-VUDBWIFFSA-N 2 2 241.335 -0.414 20 0 BBADLP C[NH+]1CCN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876789666 590241540 /nfs/dbraw/zinc/24/15/40/590241540.db2.gz FVEHNWOKJSFAME-NXEZZACHSA-N 2 2 229.299 -0.292 20 0 BBADLP C[NH+]1CCN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876789667 590241605 /nfs/dbraw/zinc/24/16/05/590241605.db2.gz FVEHNWOKJSFAME-UWVGGRQHSA-N 2 2 229.299 -0.292 20 0 BBADLP C[NH+]1CCN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876789668 590241336 /nfs/dbraw/zinc/24/13/36/590241336.db2.gz FVEHNWOKJSFAME-VHSXEESVSA-N 2 2 229.299 -0.292 20 0 BBADLP C[NH+]1CCN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876789669 590241660 /nfs/dbraw/zinc/24/16/60/590241660.db2.gz FVEHNWOKJSFAME-ZJUUUORDSA-N 2 2 229.299 -0.292 20 0 BBADLP C[NH2+]CCN(C)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000876791718 590242167 /nfs/dbraw/zinc/24/21/67/590242167.db2.gz IDNGZVQCRAXDPT-ARJAWSKDSA-N 2 2 241.335 -0.447 20 0 BBADLP C[NH2+]CCN(C)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000876791719 590241937 /nfs/dbraw/zinc/24/19/37/590241937.db2.gz IDNGZVQCRAXDPT-ONEGZZNKSA-N 2 2 241.335 -0.447 20 0 BBADLP C[NH2+]CCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC000876791838 590242192 /nfs/dbraw/zinc/24/21/92/590242192.db2.gz PIWRJYPFXQCJJV-UHFFFAOYSA-N 2 2 210.281 -0.062 20 0 BBADLP C[C@H](CC[NH3+])NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876795470 712629765 /nfs/dbraw/zinc/62/97/65/712629765.db2.gz GJQPGNQESOCDAS-KXMPLOMGSA-N 2 2 241.335 -0.272 20 0 BBADLP C[C@H](CC[NH3+])NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876795471 712629676 /nfs/dbraw/zinc/62/96/76/712629676.db2.gz GJQPGNQESOCDAS-OTDNITJGSA-N 2 2 241.335 -0.272 20 0 BBADLP C[C@@H](CC[NH3+])NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876795472 712629649 /nfs/dbraw/zinc/62/96/49/712629649.db2.gz GJQPGNQESOCDAS-QUCGXOGASA-N 2 2 241.335 -0.272 20 0 BBADLP C[C@@H](CC[NH3+])NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876795473 712629586 /nfs/dbraw/zinc/62/95/86/712629586.db2.gz GJQPGNQESOCDAS-VUDBWIFFSA-N 2 2 241.335 -0.272 20 0 BBADLP C[C@H](C[NH3+])NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876806277 590244312 /nfs/dbraw/zinc/24/43/12/590244312.db2.gz MWZJFFBYHWIBHL-MXQLGCADSA-N 2 2 227.308 -0.662 20 0 BBADLP C[C@H](C[NH3+])NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876806278 590244269 /nfs/dbraw/zinc/24/42/69/590244269.db2.gz MWZJFFBYHWIBHL-VMZHVLLKSA-N 2 2 227.308 -0.662 20 0 BBADLP CCc1c[nH]c(CC(=O)N[C@@H](C)C[NH3+])[nH+]1 ZINC000876830388 590247185 /nfs/dbraw/zinc/24/71/85/590247185.db2.gz HUBOXBAEGJENPR-ZETCQYMHSA-N 2 2 210.281 -0.022 20 0 BBADLP C[C@@H](C[NH3+])NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876830569 590247093 /nfs/dbraw/zinc/24/70/93/590247093.db2.gz MWZJFFBYHWIBHL-PBKGFPTLSA-N 2 2 227.308 -0.662 20 0 BBADLP C[C@@H](C[NH3+])NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876830570 590247268 /nfs/dbraw/zinc/24/72/68/590247268.db2.gz MWZJFFBYHWIBHL-ZMWSMAPVSA-N 2 2 227.308 -0.662 20 0 BBADLP C[C@@H]([NH3+])CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876834252 590247834 /nfs/dbraw/zinc/24/78/34/590247834.db2.gz NWZOKPMYEPBWAM-MXQLGCADSA-N 2 2 227.308 -0.662 20 0 BBADLP C[C@H]([NH3+])CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876834253 590248062 /nfs/dbraw/zinc/24/80/62/590248062.db2.gz NWZOKPMYEPBWAM-PBKGFPTLSA-N 2 2 227.308 -0.662 20 0 BBADLP C[C@@H]([NH3+])CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876834255 590247822 /nfs/dbraw/zinc/24/78/22/590247822.db2.gz NWZOKPMYEPBWAM-VMZHVLLKSA-N 2 2 227.308 -0.662 20 0 BBADLP C[C@H]([NH3+])CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876834256 590248030 /nfs/dbraw/zinc/24/80/30/590248030.db2.gz NWZOKPMYEPBWAM-ZMWSMAPVSA-N 2 2 227.308 -0.662 20 0 BBADLP C[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000876861177 590250594 /nfs/dbraw/zinc/25/05/94/590250594.db2.gz SURVYNSIFJLGNN-CBZSPVTBSA-N 2 2 241.335 -0.273 20 0 BBADLP C[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000876861178 590250492 /nfs/dbraw/zinc/25/04/92/590250492.db2.gz SURVYNSIFJLGNN-MJKAUQOVSA-N 2 2 241.335 -0.273 20 0 BBADLP C[C@H]([NH3+])[C@H](C)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876861179 590250590 /nfs/dbraw/zinc/25/05/90/590250590.db2.gz SURVYNSIFJLGNN-SEUFLZDSSA-N 2 2 241.335 -0.273 20 0 BBADLP C[C@H]([NH3+])[C@H](C)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876861180 590250688 /nfs/dbraw/zinc/25/06/88/590250688.db2.gz SURVYNSIFJLGNN-WZQADMAKSA-N 2 2 241.335 -0.273 20 0 BBADLP CC[C@H]([NH3+])CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876864840 590250974 /nfs/dbraw/zinc/25/09/74/590250974.db2.gz WFGIZYBFQCDNEL-BYCRGOAPSA-N 2 2 241.335 -0.272 20 0 BBADLP CC[C@@H]([NH3+])CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876864841 590251166 /nfs/dbraw/zinc/25/11/66/590251166.db2.gz WFGIZYBFQCDNEL-DLRQAJBASA-N 2 2 241.335 -0.272 20 0 BBADLP CC[C@@H]([NH3+])CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876864842 590250931 /nfs/dbraw/zinc/25/09/31/590250931.db2.gz WFGIZYBFQCDNEL-PGLGOXFNSA-N 2 2 241.335 -0.272 20 0 BBADLP CC[C@H]([NH3+])CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876864843 590251163 /nfs/dbraw/zinc/25/11/63/590251163.db2.gz WFGIZYBFQCDNEL-UFFNRZRYSA-N 2 2 241.335 -0.272 20 0 BBADLP CN(CC[NH3+])C(=O)/C=C\C[NH+]1CCOCC1 ZINC000876919331 590257496 /nfs/dbraw/zinc/25/74/96/590257496.db2.gz UFHGTVDKWQTRSY-IHWYPQMZSA-N 2 2 227.308 -0.708 20 0 BBADLP CN(CC[NH3+])C(=O)/C=C/C[NH+]1CCOCC1 ZINC000876919332 590257500 /nfs/dbraw/zinc/25/75/00/590257500.db2.gz UFHGTVDKWQTRSY-NSCUHMNNSA-N 2 2 227.308 -0.708 20 0 BBADLP C[NH2+]C[C@H](C)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876977997 590264069 /nfs/dbraw/zinc/26/40/69/590264069.db2.gz IOESIEJTRGWHMS-BYCRGOAPSA-N 2 2 241.335 -0.401 20 0 BBADLP C[NH2+]C[C@@H](C)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876977998 584888503 /nfs/dbraw/zinc/88/85/03/584888503.db2.gz IOESIEJTRGWHMS-DLRQAJBASA-N 2 2 241.335 -0.401 20 0 BBADLP C[NH2+]C[C@@H](C)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876977999 584888438 /nfs/dbraw/zinc/88/84/38/584888438.db2.gz IOESIEJTRGWHMS-PGLGOXFNSA-N 2 2 241.335 -0.401 20 0 BBADLP C[NH2+]C[C@H](C)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876978000 584888602 /nfs/dbraw/zinc/88/86/02/584888602.db2.gz IOESIEJTRGWHMS-UFFNRZRYSA-N 2 2 241.335 -0.401 20 0 BBADLP CCN(CC[NH3+])C(=O)/C=C\C[NH+]1CCOCC1 ZINC000877005926 590268213 /nfs/dbraw/zinc/26/82/13/590268213.db2.gz NRJPOLDVYYNNSF-ARJAWSKDSA-N 2 2 241.335 -0.318 20 0 BBADLP CCN(CC[NH3+])C(=O)/C=C/C[NH+]1CCOCC1 ZINC000877005928 590268401 /nfs/dbraw/zinc/26/84/01/590268401.db2.gz NRJPOLDVYYNNSF-ONEGZZNKSA-N 2 2 241.335 -0.318 20 0 BBADLP C[C@@H]([NH3+])CN(C)C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000877106205 590285232 /nfs/dbraw/zinc/28/52/32/590285232.db2.gz PLXZPRGEMBIIDU-GHMZBOCLSA-N 2 2 242.367 -0.572 20 0 BBADLP C[C@@H]([NH3+])CN(C)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000877106206 590285333 /nfs/dbraw/zinc/28/53/33/590285333.db2.gz PLXZPRGEMBIIDU-MNOVXSKESA-N 2 2 242.367 -0.572 20 0 BBADLP C[C@H]([NH3+])CN(C)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000877106208 590285468 /nfs/dbraw/zinc/28/54/68/590285468.db2.gz PLXZPRGEMBIIDU-QWRGUYRKSA-N 2 2 242.367 -0.572 20 0 BBADLP C[C@H](C(=O)N(C)C[C@H](C)[NH3+])[NH+]1CCN(C)CC1 ZINC000877106210 590285206 /nfs/dbraw/zinc/28/52/06/590285206.db2.gz PLXZPRGEMBIIDU-WDEREUQCSA-N 2 2 242.367 -0.572 20 0 BBADLP C[C@H]([NH3+])CN(C)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000877107737 584890407 /nfs/dbraw/zinc/89/04/07/584890407.db2.gz KWGGVLUIUOGMHU-BYCRGOAPSA-N 2 2 241.335 -0.320 20 0 BBADLP C[C@@H]([NH3+])CN(C)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000877107738 584890341 /nfs/dbraw/zinc/89/03/41/584890341.db2.gz KWGGVLUIUOGMHU-DLRQAJBASA-N 2 2 241.335 -0.320 20 0 BBADLP C[C@@H]([NH3+])CN(C)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000877107739 584890344 /nfs/dbraw/zinc/89/03/44/584890344.db2.gz KWGGVLUIUOGMHU-PGLGOXFNSA-N 2 2 241.335 -0.320 20 0 BBADLP C[C@H]([NH3+])CN(C)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000877107740 584890337 /nfs/dbraw/zinc/89/03/37/584890337.db2.gz KWGGVLUIUOGMHU-UFFNRZRYSA-N 2 2 241.335 -0.320 20 0 BBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)CC[NH3+] ZINC000877433093 590327094 /nfs/dbraw/zinc/32/70/94/590327094.db2.gz IYLROYSBSNHGMY-JTQLQIEISA-N 2 2 229.324 -0.438 20 0 BBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)CC[NH3+] ZINC000877433093 590327091 /nfs/dbraw/zinc/32/70/91/590327091.db2.gz IYLROYSBSNHGMY-JTQLQIEISA-N 2 2 229.324 -0.438 20 0 BBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)CC[NH3+] ZINC000877433094 590327183 /nfs/dbraw/zinc/32/71/83/590327183.db2.gz IYLROYSBSNHGMY-SNVBAGLBSA-N 2 2 229.324 -0.438 20 0 BBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)CC[NH3+] ZINC000877433094 590327180 /nfs/dbraw/zinc/32/71/80/590327180.db2.gz IYLROYSBSNHGMY-SNVBAGLBSA-N 2 2 229.324 -0.438 20 0 BBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C1([NH3+])CC1 ZINC000877433108 590327078 /nfs/dbraw/zinc/32/70/78/590327078.db2.gz JKAUTNWQYXKEIX-JTQLQIEISA-N 2 2 241.335 -0.295 20 0 BBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C1([NH3+])CC1 ZINC000877433108 590327077 /nfs/dbraw/zinc/32/70/77/590327077.db2.gz JKAUTNWQYXKEIX-JTQLQIEISA-N 2 2 241.335 -0.295 20 0 BBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C1([NH3+])CC1 ZINC000877433109 590327242 /nfs/dbraw/zinc/32/72/42/590327242.db2.gz JKAUTNWQYXKEIX-SNVBAGLBSA-N 2 2 241.335 -0.295 20 0 BBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C1([NH3+])CC1 ZINC000877433109 590327239 /nfs/dbraw/zinc/32/72/39/590327239.db2.gz JKAUTNWQYXKEIX-SNVBAGLBSA-N 2 2 241.335 -0.295 20 0 BBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C[C@@H](C)[NH3+] ZINC000877433169 590327131 /nfs/dbraw/zinc/32/71/31/590327131.db2.gz LAWITKWEORFSTL-GHMZBOCLSA-N 2 2 243.351 -0.049 20 0 BBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@@H](C)[NH3+] ZINC000877433169 590327128 /nfs/dbraw/zinc/32/71/28/590327128.db2.gz LAWITKWEORFSTL-GHMZBOCLSA-N 2 2 243.351 -0.049 20 0 BBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C[C@@H](C)[NH3+] ZINC000877433170 590327388 /nfs/dbraw/zinc/32/73/88/590327388.db2.gz LAWITKWEORFSTL-MNOVXSKESA-N 2 2 243.351 -0.049 20 0 BBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C[C@@H](C)[NH3+] ZINC000877433170 590327387 /nfs/dbraw/zinc/32/73/87/590327387.db2.gz LAWITKWEORFSTL-MNOVXSKESA-N 2 2 243.351 -0.049 20 0 BBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C[C@H](C)[NH3+] ZINC000877433171 590326761 /nfs/dbraw/zinc/32/67/61/590326761.db2.gz LAWITKWEORFSTL-QWRGUYRKSA-N 2 2 243.351 -0.049 20 0 BBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C[C@H](C)[NH3+] ZINC000877433171 590326760 /nfs/dbraw/zinc/32/67/60/590326760.db2.gz LAWITKWEORFSTL-QWRGUYRKSA-N 2 2 243.351 -0.049 20 0 BBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C[C@H](C)[NH3+] ZINC000877433172 590327381 /nfs/dbraw/zinc/32/73/81/590327381.db2.gz LAWITKWEORFSTL-WDEREUQCSA-N 2 2 243.351 -0.049 20 0 BBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@H](C)[NH3+] ZINC000877433172 590327379 /nfs/dbraw/zinc/32/73/79/590327379.db2.gz LAWITKWEORFSTL-WDEREUQCSA-N 2 2 243.351 -0.049 20 0 BBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C(C)(C)[NH3+] ZINC000877433315 590326885 /nfs/dbraw/zinc/32/68/85/590326885.db2.gz OQVOPALTNMKGEO-JTQLQIEISA-N 2 2 243.351 -0.049 20 0 BBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C(C)(C)[NH3+] ZINC000877433315 590326882 /nfs/dbraw/zinc/32/68/82/590326882.db2.gz OQVOPALTNMKGEO-JTQLQIEISA-N 2 2 243.351 -0.049 20 0 BBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C(C)(C)[NH3+] ZINC000877433316 590326832 /nfs/dbraw/zinc/32/68/32/590326832.db2.gz OQVOPALTNMKGEO-SNVBAGLBSA-N 2 2 243.351 -0.049 20 0 BBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C(C)(C)[NH3+] ZINC000877433316 590326829 /nfs/dbraw/zinc/32/68/29/590326829.db2.gz OQVOPALTNMKGEO-SNVBAGLBSA-N 2 2 243.351 -0.049 20 0 BBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C[NH3+] ZINC000877433349 590326754 /nfs/dbraw/zinc/32/67/54/590326754.db2.gz PPXLCMYCYUVCCA-SECBINFHSA-N 2 2 215.297 -0.828 20 0 BBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C[NH3+] ZINC000877433349 590326752 /nfs/dbraw/zinc/32/67/52/590326752.db2.gz PPXLCMYCYUVCCA-SECBINFHSA-N 2 2 215.297 -0.828 20 0 BBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C[NH3+] ZINC000877433350 590327645 /nfs/dbraw/zinc/32/76/45/590327645.db2.gz PPXLCMYCYUVCCA-VIFPVBQESA-N 2 2 215.297 -0.828 20 0 BBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C[NH3+] ZINC000877433350 590327643 /nfs/dbraw/zinc/32/76/43/590327643.db2.gz PPXLCMYCYUVCCA-VIFPVBQESA-N 2 2 215.297 -0.828 20 0 BBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](C)[NH3+] ZINC000877433398 590326970 /nfs/dbraw/zinc/32/69/70/590326970.db2.gz QXFREXJFQDGZLK-NXEZZACHSA-N 2 2 229.324 -0.439 20 0 BBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](C)[NH3+] ZINC000877433398 590326967 /nfs/dbraw/zinc/32/69/67/590326967.db2.gz QXFREXJFQDGZLK-NXEZZACHSA-N 2 2 229.324 -0.439 20 0 BBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H](C)[NH3+] ZINC000877433399 590327200 /nfs/dbraw/zinc/32/72/00/590327200.db2.gz QXFREXJFQDGZLK-UWVGGRQHSA-N 2 2 229.324 -0.439 20 0 BBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](C)[NH3+] ZINC000877433399 590327198 /nfs/dbraw/zinc/32/71/98/590327198.db2.gz QXFREXJFQDGZLK-UWVGGRQHSA-N 2 2 229.324 -0.439 20 0 BBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](C)[NH3+] ZINC000877433400 590326550 /nfs/dbraw/zinc/32/65/50/590326550.db2.gz QXFREXJFQDGZLK-VHSXEESVSA-N 2 2 229.324 -0.439 20 0 BBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](C)[NH3+] ZINC000877433400 590326548 /nfs/dbraw/zinc/32/65/48/590326548.db2.gz QXFREXJFQDGZLK-VHSXEESVSA-N 2 2 229.324 -0.439 20 0 BBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H](C)[NH3+] ZINC000877433401 590327330 /nfs/dbraw/zinc/32/73/30/590327330.db2.gz QXFREXJFQDGZLK-ZJUUUORDSA-N 2 2 229.324 -0.439 20 0 BBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H](C)[NH3+] ZINC000877433401 590327328 /nfs/dbraw/zinc/32/73/28/590327328.db2.gz QXFREXJFQDGZLK-ZJUUUORDSA-N 2 2 229.324 -0.439 20 0 BBADLP CC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000877433467 590327409 /nfs/dbraw/zinc/32/74/09/590327409.db2.gz SXDAWHXETJCYKC-MNOVXSKESA-N 2 2 243.351 -0.049 20 0 BBADLP CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000877433467 590327407 /nfs/dbraw/zinc/32/74/07/590327407.db2.gz SXDAWHXETJCYKC-MNOVXSKESA-N 2 2 243.351 -0.049 20 0 BBADLP CC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000877433468 590326735 /nfs/dbraw/zinc/32/67/35/590326735.db2.gz SXDAWHXETJCYKC-QWRGUYRKSA-N 2 2 243.351 -0.049 20 0 BBADLP CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000877433468 590326733 /nfs/dbraw/zinc/32/67/33/590326733.db2.gz SXDAWHXETJCYKC-QWRGUYRKSA-N 2 2 243.351 -0.049 20 0 BBADLP CC[NH2+]CC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000877433518 590327457 /nfs/dbraw/zinc/32/74/57/590327457.db2.gz VPYTZFHKBDRXHT-LLVKDONJSA-N 2 2 243.351 -0.177 20 0 BBADLP CC[NH2+]CC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000877433518 590327454 /nfs/dbraw/zinc/32/74/54/590327454.db2.gz VPYTZFHKBDRXHT-LLVKDONJSA-N 2 2 243.351 -0.177 20 0 BBADLP CC[NH2+]CC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000877433519 590327066 /nfs/dbraw/zinc/32/70/66/590327066.db2.gz VPYTZFHKBDRXHT-NSHDSACASA-N 2 2 243.351 -0.177 20 0 BBADLP CC[NH2+]CC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000877433519 590327063 /nfs/dbraw/zinc/32/70/63/590327063.db2.gz VPYTZFHKBDRXHT-NSHDSACASA-N 2 2 243.351 -0.177 20 0 BBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C[NH2+]C ZINC000877433623 590327370 /nfs/dbraw/zinc/32/73/70/590327370.db2.gz YULURPQKTMIMJD-JTQLQIEISA-N 2 2 229.324 -0.567 20 0 BBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C[NH2+]C ZINC000877433623 590327368 /nfs/dbraw/zinc/32/73/68/590327368.db2.gz YULURPQKTMIMJD-JTQLQIEISA-N 2 2 229.324 -0.567 20 0 BBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C[NH2+]C ZINC000877433624 590326694 /nfs/dbraw/zinc/32/66/94/590326694.db2.gz YULURPQKTMIMJD-SNVBAGLBSA-N 2 2 229.324 -0.567 20 0 BBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C[NH2+]C ZINC000877433624 590326692 /nfs/dbraw/zinc/32/66/92/590326692.db2.gz YULURPQKTMIMJD-SNVBAGLBSA-N 2 2 229.324 -0.567 20 0 BBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000877433749 590327300 /nfs/dbraw/zinc/32/73/00/590327300.db2.gz IKVBUFNONWRNCP-GHMZBOCLSA-N 2 2 241.335 -0.425 20 0 BBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000877433749 590327297 /nfs/dbraw/zinc/32/72/97/590327297.db2.gz IKVBUFNONWRNCP-GHMZBOCLSA-N 2 2 241.335 -0.425 20 0 BBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000877433750 590327261 /nfs/dbraw/zinc/32/72/61/590327261.db2.gz IKVBUFNONWRNCP-WDEREUQCSA-N 2 2 241.335 -0.425 20 0 BBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000877433750 590327258 /nfs/dbraw/zinc/32/72/58/590327258.db2.gz IKVBUFNONWRNCP-WDEREUQCSA-N 2 2 241.335 -0.425 20 0 BBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](C)C[NH3+] ZINC000877434001 590327579 /nfs/dbraw/zinc/32/75/79/590327579.db2.gz LRBORMXUVNEERH-GHMZBOCLSA-N 2 2 243.351 -0.192 20 0 BBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](C)C[NH3+] ZINC000877434001 590327577 /nfs/dbraw/zinc/32/75/77/590327577.db2.gz LRBORMXUVNEERH-GHMZBOCLSA-N 2 2 243.351 -0.192 20 0 BBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H](C)C[NH3+] ZINC000877434002 590326943 /nfs/dbraw/zinc/32/69/43/590326943.db2.gz LRBORMXUVNEERH-MNOVXSKESA-N 2 2 243.351 -0.192 20 0 BBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](C)C[NH3+] ZINC000877434002 590326941 /nfs/dbraw/zinc/32/69/41/590326941.db2.gz LRBORMXUVNEERH-MNOVXSKESA-N 2 2 243.351 -0.192 20 0 BBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H](C)C[NH3+] ZINC000877434003 590327006 /nfs/dbraw/zinc/32/70/06/590327006.db2.gz LRBORMXUVNEERH-QWRGUYRKSA-N 2 2 243.351 -0.192 20 0 BBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H](C)C[NH3+] ZINC000877434003 590327004 /nfs/dbraw/zinc/32/70/04/590327004.db2.gz LRBORMXUVNEERH-QWRGUYRKSA-N 2 2 243.351 -0.192 20 0 BBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](C)C[NH3+] ZINC000877434004 590327195 /nfs/dbraw/zinc/32/71/95/590327195.db2.gz LRBORMXUVNEERH-WDEREUQCSA-N 2 2 243.351 -0.192 20 0 BBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](C)C[NH3+] ZINC000877434004 590327192 /nfs/dbraw/zinc/32/71/92/590327192.db2.gz LRBORMXUVNEERH-WDEREUQCSA-N 2 2 243.351 -0.192 20 0 BBADLP CC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000877434599 590327280 /nfs/dbraw/zinc/32/72/80/590327280.db2.gz SXDAWHXETJCYKC-GHMZBOCLSA-N 2 2 243.351 -0.049 20 0 BBADLP CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000877434599 590327277 /nfs/dbraw/zinc/32/72/77/590327277.db2.gz SXDAWHXETJCYKC-GHMZBOCLSA-N 2 2 243.351 -0.049 20 0 BBADLP CC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000877434600 590326572 /nfs/dbraw/zinc/32/65/72/590326572.db2.gz SXDAWHXETJCYKC-WDEREUQCSA-N 2 2 243.351 -0.049 20 0 BBADLP CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000877434600 590326570 /nfs/dbraw/zinc/32/65/70/590326570.db2.gz SXDAWHXETJCYKC-WDEREUQCSA-N 2 2 243.351 -0.049 20 0 BBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H](C)[NH2+]C ZINC000877434922 590327661 /nfs/dbraw/zinc/32/76/61/590327661.db2.gz VOBHKIADRIIYNW-QWRGUYRKSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](C)[NH2+]C ZINC000877434922 590327659 /nfs/dbraw/zinc/32/76/59/590327659.db2.gz VOBHKIADRIIYNW-QWRGUYRKSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](C)[NH2+]C ZINC000877434923 590327307 /nfs/dbraw/zinc/32/73/07/590327307.db2.gz VOBHKIADRIIYNW-WDEREUQCSA-N 2 2 243.351 -0.179 20 0 BBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](C)[NH2+]C ZINC000877434923 590327305 /nfs/dbraw/zinc/32/73/05/590327305.db2.gz VOBHKIADRIIYNW-WDEREUQCSA-N 2 2 243.351 -0.179 20 0 BBADLP C[NH+](C)C1CC[NH+](CCn2cnnn2)CC1 ZINC000877959349 590458738 /nfs/dbraw/zinc/45/87/38/590458738.db2.gz KQQRCSKRKIHMOF-UHFFFAOYSA-N 2 2 224.312 -0.301 20 0 BBADLP Cn1nnnc1CC[NH+]1CCC([NH+](C)C)CC1 ZINC000877960068 590458057 /nfs/dbraw/zinc/45/80/57/590458057.db2.gz ZFRIHJDEXUSYSQ-UHFFFAOYSA-N 2 2 238.339 -0.221 20 0 BBADLP Cn1c[nH+]cc1CC[N@H+]1CCCNC(=O)C1 ZINC000878038988 590477371 /nfs/dbraw/zinc/47/73/71/590477371.db2.gz JGMHMZWSCOABDJ-UHFFFAOYSA-N 2 2 222.292 -0.216 20 0 BBADLP Cn1c[nH+]cc1CC[N@@H+]1CCCNC(=O)C1 ZINC000878038988 590477369 /nfs/dbraw/zinc/47/73/69/590477369.db2.gz JGMHMZWSCOABDJ-UHFFFAOYSA-N 2 2 222.292 -0.216 20 0 BBADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCn2cnnn2)C1 ZINC000878302500 590538709 /nfs/dbraw/zinc/53/87/09/590538709.db2.gz OPBQALGIXJPJBI-JTQLQIEISA-N 2 2 247.306 -0.104 20 0 BBADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCn2cnnn2)C1 ZINC000878302500 590538708 /nfs/dbraw/zinc/53/87/08/590538708.db2.gz OPBQALGIXJPJBI-JTQLQIEISA-N 2 2 247.306 -0.104 20 0 BBADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCn2cnnn2)C1 ZINC000878302501 590538905 /nfs/dbraw/zinc/53/89/05/590538905.db2.gz OPBQALGIXJPJBI-SNVBAGLBSA-N 2 2 247.306 -0.104 20 0 BBADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCn2cnnn2)C1 ZINC000878302501 590538904 /nfs/dbraw/zinc/53/89/04/590538904.db2.gz OPBQALGIXJPJBI-SNVBAGLBSA-N 2 2 247.306 -0.104 20 0 BBADLP Cn1nnnc1CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000878318684 590543826 /nfs/dbraw/zinc/54/38/26/590543826.db2.gz BXAVDCVLVZTXSF-UHFFFAOYSA-N 2 2 249.322 -0.029 20 0 BBADLP Cn1nnnc1CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000878318684 590543824 /nfs/dbraw/zinc/54/38/24/590543824.db2.gz BXAVDCVLVZTXSF-UHFFFAOYSA-N 2 2 249.322 -0.029 20 0 BBADLP C[N@@H+](CCCn1cc[nH+]c1)CCn1cnnn1 ZINC000878318978 590543858 /nfs/dbraw/zinc/54/38/58/590543858.db2.gz GBXGTTCECRPQJU-UHFFFAOYSA-N 2 2 235.295 -0.108 20 0 BBADLP C[N@H+](CCCn1cc[nH+]c1)CCn1cnnn1 ZINC000878318978 590543856 /nfs/dbraw/zinc/54/38/56/590543856.db2.gz GBXGTTCECRPQJU-UHFFFAOYSA-N 2 2 235.295 -0.108 20 0 BBADLP c1nnnn1CC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000878629017 590597614 /nfs/dbraw/zinc/59/76/14/590597614.db2.gz RSRHJEFURLUBCJ-UHFFFAOYSA-N 2 2 219.252 -0.546 20 0 BBADLP c1nnnn1CC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000878629017 590597613 /nfs/dbraw/zinc/59/76/13/590597613.db2.gz RSRHJEFURLUBCJ-UHFFFAOYSA-N 2 2 219.252 -0.546 20 0 BBADLP Cn1nnnc1CC[NH2+]C(C)(C)C[NH+](C)C ZINC000878696175 590611086 /nfs/dbraw/zinc/61/10/86/590611086.db2.gz GPNNWWXMVCWUPZ-UHFFFAOYSA-N 2 2 226.328 -0.318 20 0 BBADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CC2OCCO2)C1 ZINC000878865272 590634467 /nfs/dbraw/zinc/63/44/67/590634467.db2.gz GORKNHLBTDMPHI-GFCCVEGCSA-N 2 2 244.335 -0.252 20 0 BBADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CC2OCCO2)C1 ZINC000878865272 590634464 /nfs/dbraw/zinc/63/44/64/590634464.db2.gz GORKNHLBTDMPHI-GFCCVEGCSA-N 2 2 244.335 -0.252 20 0 BBADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CC2OCCO2)C1 ZINC000878865273 590635282 /nfs/dbraw/zinc/63/52/82/590635282.db2.gz GORKNHLBTDMPHI-LBPRGKRZSA-N 2 2 244.335 -0.252 20 0 BBADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CC2OCCO2)C1 ZINC000878865273 590635263 /nfs/dbraw/zinc/63/52/63/590635263.db2.gz GORKNHLBTDMPHI-LBPRGKRZSA-N 2 2 244.335 -0.252 20 0 BBADLP COC(C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1)OC ZINC000878866007 590634974 /nfs/dbraw/zinc/63/49/74/590634974.db2.gz PKULWSGQGGLAKO-GFCCVEGCSA-N 2 2 246.351 -0.006 20 0 BBADLP COC(C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1)OC ZINC000878866007 590634971 /nfs/dbraw/zinc/63/49/71/590634971.db2.gz PKULWSGQGGLAKO-GFCCVEGCSA-N 2 2 246.351 -0.006 20 0 BBADLP COC(C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1)OC ZINC000878866008 590633950 /nfs/dbraw/zinc/63/39/50/590633950.db2.gz PKULWSGQGGLAKO-LBPRGKRZSA-N 2 2 246.351 -0.006 20 0 BBADLP COC(C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1)OC ZINC000878866008 590633945 /nfs/dbraw/zinc/63/39/45/590633945.db2.gz PKULWSGQGGLAKO-LBPRGKRZSA-N 2 2 246.351 -0.006 20 0 BBADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CC[S@@](C)=O)C1 ZINC000878866190 590634568 /nfs/dbraw/zinc/63/45/68/590634568.db2.gz RFHSGORTFMPINJ-BDJLRTHQSA-N 2 2 248.392 -0.247 20 0 BBADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CC[S@](C)=O)C1 ZINC000878866191 590634214 /nfs/dbraw/zinc/63/42/14/590634214.db2.gz RFHSGORTFMPINJ-BZNIZROVSA-N 2 2 248.392 -0.247 20 0 BBADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CC[S@@](C)=O)C1 ZINC000878866192 590634294 /nfs/dbraw/zinc/63/42/94/590634294.db2.gz RFHSGORTFMPINJ-MEDUHNTESA-N 2 2 248.392 -0.247 20 0 BBADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CC[S@](C)=O)C1 ZINC000878866193 590634103 /nfs/dbraw/zinc/63/41/03/590634103.db2.gz RFHSGORTFMPINJ-ZBEGNZNMSA-N 2 2 248.392 -0.247 20 0 BBADLP CN1C(=O)[C@H]2C[N@@H+](CCn3cc[nH+]c3)C[C@H]2C1=O ZINC000879534726 590795140 /nfs/dbraw/zinc/79/51/40/590795140.db2.gz WBSHSAIOGHYNJZ-AOOOYVTPSA-N 2 2 248.286 -0.570 20 0 BBADLP CN1C(=O)[C@H]2C[N@H+](CCn3cc[nH+]c3)C[C@H]2C1=O ZINC000879534726 590795139 /nfs/dbraw/zinc/79/51/39/590795139.db2.gz WBSHSAIOGHYNJZ-AOOOYVTPSA-N 2 2 248.286 -0.570 20 0 BBADLP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)NC(N)=O)CC[C@@H]21 ZINC000879568900 590807825 /nfs/dbraw/zinc/80/78/25/590807825.db2.gz FIWZGGCORKTAKI-BDAKNGLRSA-N 2 2 240.307 -0.793 20 0 BBADLP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)NC(N)=O)CC[C@@H]21 ZINC000879568900 590807824 /nfs/dbraw/zinc/80/78/24/590807824.db2.gz FIWZGGCORKTAKI-BDAKNGLRSA-N 2 2 240.307 -0.793 20 0 BBADLP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)NC(N)=O)CC[C@@H]21 ZINC000879568900 590807818 /nfs/dbraw/zinc/80/78/18/590807818.db2.gz FIWZGGCORKTAKI-BDAKNGLRSA-N 2 2 240.307 -0.793 20 0 BBADLP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)NC(N)=O)CC[C@@H]21 ZINC000879568900 590807814 /nfs/dbraw/zinc/80/78/14/590807814.db2.gz FIWZGGCORKTAKI-BDAKNGLRSA-N 2 2 240.307 -0.793 20 0 BBADLP C[NH+]1CC[C@H]2C[N@@H+](CC(=O)NC(N)=O)CC[C@H]21 ZINC000879568901 590807535 /nfs/dbraw/zinc/80/75/35/590807535.db2.gz FIWZGGCORKTAKI-DTWKUNHWSA-N 2 2 240.307 -0.793 20 0 BBADLP C[NH+]1CC[C@H]2C[N@H+](CC(=O)NC(N)=O)CC[C@H]21 ZINC000879568901 590807532 /nfs/dbraw/zinc/80/75/32/590807532.db2.gz FIWZGGCORKTAKI-DTWKUNHWSA-N 2 2 240.307 -0.793 20 0 BBADLP C[N@H+]1CC[C@H]2C[NH+](CC(=O)NC(N)=O)CC[C@H]21 ZINC000879568901 590807526 /nfs/dbraw/zinc/80/75/26/590807526.db2.gz FIWZGGCORKTAKI-DTWKUNHWSA-N 2 2 240.307 -0.793 20 0 BBADLP C[N@@H+]1CC[C@H]2C[NH+](CC(=O)NC(N)=O)CC[C@H]21 ZINC000879568901 590807523 /nfs/dbraw/zinc/80/75/23/590807523.db2.gz FIWZGGCORKTAKI-DTWKUNHWSA-N 2 2 240.307 -0.793 20 0 BBADLP C[NH+]1CC[C@H]2C[N@@H+](CC(=O)NC(N)=O)CC[C@@H]21 ZINC000879568902 590805366 /nfs/dbraw/zinc/80/53/66/590805366.db2.gz FIWZGGCORKTAKI-IUCAKERBSA-N 2 2 240.307 -0.793 20 0 BBADLP C[NH+]1CC[C@H]2C[N@H+](CC(=O)NC(N)=O)CC[C@@H]21 ZINC000879568902 590805364 /nfs/dbraw/zinc/80/53/64/590805364.db2.gz FIWZGGCORKTAKI-IUCAKERBSA-N 2 2 240.307 -0.793 20 0 BBADLP C[N@H+]1CC[C@H]2C[NH+](CC(=O)NC(N)=O)CC[C@@H]21 ZINC000879568902 590805361 /nfs/dbraw/zinc/80/53/61/590805361.db2.gz FIWZGGCORKTAKI-IUCAKERBSA-N 2 2 240.307 -0.793 20 0 BBADLP C[N@@H+]1CC[C@H]2C[NH+](CC(=O)NC(N)=O)CC[C@@H]21 ZINC000879568902 590805358 /nfs/dbraw/zinc/80/53/58/590805358.db2.gz FIWZGGCORKTAKI-IUCAKERBSA-N 2 2 240.307 -0.793 20 0 BBADLP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)NC(N)=O)CC[C@H]21 ZINC000879568903 590806008 /nfs/dbraw/zinc/80/60/08/590806008.db2.gz FIWZGGCORKTAKI-RKDXNWHRSA-N 2 2 240.307 -0.793 20 0 BBADLP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)NC(N)=O)CC[C@H]21 ZINC000879568903 590806005 /nfs/dbraw/zinc/80/60/05/590806005.db2.gz FIWZGGCORKTAKI-RKDXNWHRSA-N 2 2 240.307 -0.793 20 0 BBADLP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)NC(N)=O)CC[C@H]21 ZINC000879568903 590806003 /nfs/dbraw/zinc/80/60/03/590806003.db2.gz FIWZGGCORKTAKI-RKDXNWHRSA-N 2 2 240.307 -0.793 20 0 BBADLP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)NC(N)=O)CC[C@H]21 ZINC000879568903 590806001 /nfs/dbraw/zinc/80/60/01/590806001.db2.gz FIWZGGCORKTAKI-RKDXNWHRSA-N 2 2 240.307 -0.793 20 0 BBADLP C[C@H](C(N)=O)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879569114 590806424 /nfs/dbraw/zinc/80/64/24/590806424.db2.gz JPGCSNXJZOGEGT-BBBLOLIVSA-N 2 2 211.309 -0.114 20 0 BBADLP C[C@H](C(N)=O)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879569114 590806420 /nfs/dbraw/zinc/80/64/20/590806420.db2.gz JPGCSNXJZOGEGT-BBBLOLIVSA-N 2 2 211.309 -0.114 20 0 BBADLP C[C@H](C(N)=O)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879569114 590806419 /nfs/dbraw/zinc/80/64/19/590806419.db2.gz JPGCSNXJZOGEGT-BBBLOLIVSA-N 2 2 211.309 -0.114 20 0 BBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879569114 590806415 /nfs/dbraw/zinc/80/64/15/590806415.db2.gz JPGCSNXJZOGEGT-BBBLOLIVSA-N 2 2 211.309 -0.114 20 0 BBADLP C[C@H](C(N)=O)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879569115 590807206 /nfs/dbraw/zinc/80/72/06/590807206.db2.gz JPGCSNXJZOGEGT-KXUCPTDWSA-N 2 2 211.309 -0.114 20 0 BBADLP C[C@H](C(N)=O)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879569115 590807205 /nfs/dbraw/zinc/80/72/05/590807205.db2.gz JPGCSNXJZOGEGT-KXUCPTDWSA-N 2 2 211.309 -0.114 20 0 BBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879569115 590807204 /nfs/dbraw/zinc/80/72/04/590807204.db2.gz JPGCSNXJZOGEGT-KXUCPTDWSA-N 2 2 211.309 -0.114 20 0 BBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879569115 590807203 /nfs/dbraw/zinc/80/72/03/590807203.db2.gz JPGCSNXJZOGEGT-KXUCPTDWSA-N 2 2 211.309 -0.114 20 0 BBADLP C[C@H](C(N)=O)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879569116 590806091 /nfs/dbraw/zinc/80/60/91/590806091.db2.gz JPGCSNXJZOGEGT-OPRDCNLKSA-N 2 2 211.309 -0.114 20 0 BBADLP C[C@H](C(N)=O)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879569116 590806087 /nfs/dbraw/zinc/80/60/87/590806087.db2.gz JPGCSNXJZOGEGT-OPRDCNLKSA-N 2 2 211.309 -0.114 20 0 BBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879569116 590806083 /nfs/dbraw/zinc/80/60/83/590806083.db2.gz JPGCSNXJZOGEGT-OPRDCNLKSA-N 2 2 211.309 -0.114 20 0 BBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879569116 590806082 /nfs/dbraw/zinc/80/60/82/590806082.db2.gz JPGCSNXJZOGEGT-OPRDCNLKSA-N 2 2 211.309 -0.114 20 0 BBADLP C[C@H](C(N)=O)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879569117 590806156 /nfs/dbraw/zinc/80/61/56/590806156.db2.gz JPGCSNXJZOGEGT-UTLUCORTSA-N 2 2 211.309 -0.114 20 0 BBADLP C[C@H](C(N)=O)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879569117 590806155 /nfs/dbraw/zinc/80/61/55/590806155.db2.gz JPGCSNXJZOGEGT-UTLUCORTSA-N 2 2 211.309 -0.114 20 0 BBADLP C[C@H](C(N)=O)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879569117 590806152 /nfs/dbraw/zinc/80/61/52/590806152.db2.gz JPGCSNXJZOGEGT-UTLUCORTSA-N 2 2 211.309 -0.114 20 0 BBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879569117 590806149 /nfs/dbraw/zinc/80/61/49/590806149.db2.gz JPGCSNXJZOGEGT-UTLUCORTSA-N 2 2 211.309 -0.114 20 0 BBADLP CNC(=O)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879570500 590806543 /nfs/dbraw/zinc/80/65/43/590806543.db2.gz CQBPOKFSDSDLSV-NXEZZACHSA-N 2 2 211.309 -0.242 20 0 BBADLP CNC(=O)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879570500 590806539 /nfs/dbraw/zinc/80/65/39/590806539.db2.gz CQBPOKFSDSDLSV-NXEZZACHSA-N 2 2 211.309 -0.242 20 0 BBADLP CNC(=O)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879570500 590806534 /nfs/dbraw/zinc/80/65/34/590806534.db2.gz CQBPOKFSDSDLSV-NXEZZACHSA-N 2 2 211.309 -0.242 20 0 BBADLP CNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879570500 590806532 /nfs/dbraw/zinc/80/65/32/590806532.db2.gz CQBPOKFSDSDLSV-NXEZZACHSA-N 2 2 211.309 -0.242 20 0 BBADLP CNC(=O)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879570501 590808050 /nfs/dbraw/zinc/80/80/50/590808050.db2.gz CQBPOKFSDSDLSV-UWVGGRQHSA-N 2 2 211.309 -0.242 20 0 BBADLP CNC(=O)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879570501 590808049 /nfs/dbraw/zinc/80/80/49/590808049.db2.gz CQBPOKFSDSDLSV-UWVGGRQHSA-N 2 2 211.309 -0.242 20 0 BBADLP CNC(=O)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879570501 590808044 /nfs/dbraw/zinc/80/80/44/590808044.db2.gz CQBPOKFSDSDLSV-UWVGGRQHSA-N 2 2 211.309 -0.242 20 0 BBADLP CNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879570501 590808041 /nfs/dbraw/zinc/80/80/41/590808041.db2.gz CQBPOKFSDSDLSV-UWVGGRQHSA-N 2 2 211.309 -0.242 20 0 BBADLP CNC(=O)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879570503 590808076 /nfs/dbraw/zinc/80/80/76/590808076.db2.gz CQBPOKFSDSDLSV-VHSXEESVSA-N 2 2 211.309 -0.242 20 0 BBADLP CNC(=O)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879570503 590808075 /nfs/dbraw/zinc/80/80/75/590808075.db2.gz CQBPOKFSDSDLSV-VHSXEESVSA-N 2 2 211.309 -0.242 20 0 BBADLP CNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879570503 590808072 /nfs/dbraw/zinc/80/80/72/590808072.db2.gz CQBPOKFSDSDLSV-VHSXEESVSA-N 2 2 211.309 -0.242 20 0 BBADLP CNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879570503 590808069 /nfs/dbraw/zinc/80/80/69/590808069.db2.gz CQBPOKFSDSDLSV-VHSXEESVSA-N 2 2 211.309 -0.242 20 0 BBADLP CNC(=O)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879570504 590807490 /nfs/dbraw/zinc/80/74/90/590807490.db2.gz CQBPOKFSDSDLSV-ZJUUUORDSA-N 2 2 211.309 -0.242 20 0 BBADLP CNC(=O)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879570504 590807487 /nfs/dbraw/zinc/80/74/87/590807487.db2.gz CQBPOKFSDSDLSV-ZJUUUORDSA-N 2 2 211.309 -0.242 20 0 BBADLP CNC(=O)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879570504 590807483 /nfs/dbraw/zinc/80/74/83/590807483.db2.gz CQBPOKFSDSDLSV-ZJUUUORDSA-N 2 2 211.309 -0.242 20 0 BBADLP CNC(=O)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879570504 590807481 /nfs/dbraw/zinc/80/74/81/590807481.db2.gz CQBPOKFSDSDLSV-ZJUUUORDSA-N 2 2 211.309 -0.242 20 0 BBADLP C[NH+]1CC[C@@H]2C[N@@H+](CCS(N)(=O)=O)CC[C@H]21 ZINC000879573082 590811120 /nfs/dbraw/zinc/81/11/20/590811120.db2.gz LWTMIBBCWYTVAY-NXEZZACHSA-N 2 2 247.364 -0.699 20 0 BBADLP C[NH+]1CC[C@@H]2C[N@H+](CCS(N)(=O)=O)CC[C@H]21 ZINC000879573082 590811117 /nfs/dbraw/zinc/81/11/17/590811117.db2.gz LWTMIBBCWYTVAY-NXEZZACHSA-N 2 2 247.364 -0.699 20 0 BBADLP C[N@H+]1CC[C@@H]2C[NH+](CCS(N)(=O)=O)CC[C@H]21 ZINC000879573082 590811115 /nfs/dbraw/zinc/81/11/15/590811115.db2.gz LWTMIBBCWYTVAY-NXEZZACHSA-N 2 2 247.364 -0.699 20 0 BBADLP C[N@@H+]1CC[C@@H]2C[NH+](CCS(N)(=O)=O)CC[C@H]21 ZINC000879573082 590811111 /nfs/dbraw/zinc/81/11/11/590811111.db2.gz LWTMIBBCWYTVAY-NXEZZACHSA-N 2 2 247.364 -0.699 20 0 BBADLP C[NH+]1CC[C@H]2C[N@@H+](CCS(N)(=O)=O)CC[C@@H]21 ZINC000879573083 590809068 /nfs/dbraw/zinc/80/90/68/590809068.db2.gz LWTMIBBCWYTVAY-UWVGGRQHSA-N 2 2 247.364 -0.699 20 0 BBADLP C[NH+]1CC[C@H]2C[N@H+](CCS(N)(=O)=O)CC[C@@H]21 ZINC000879573083 590809065 /nfs/dbraw/zinc/80/90/65/590809065.db2.gz LWTMIBBCWYTVAY-UWVGGRQHSA-N 2 2 247.364 -0.699 20 0 BBADLP C[N@H+]1CC[C@H]2C[NH+](CCS(N)(=O)=O)CC[C@@H]21 ZINC000879573083 590809063 /nfs/dbraw/zinc/80/90/63/590809063.db2.gz LWTMIBBCWYTVAY-UWVGGRQHSA-N 2 2 247.364 -0.699 20 0 BBADLP C[N@@H+]1CC[C@H]2C[NH+](CCS(N)(=O)=O)CC[C@@H]21 ZINC000879573083 590809059 /nfs/dbraw/zinc/80/90/59/590809059.db2.gz LWTMIBBCWYTVAY-UWVGGRQHSA-N 2 2 247.364 -0.699 20 0 BBADLP C[NH+]1CC[C@H]2C[N@@H+](CCS(N)(=O)=O)CC[C@H]21 ZINC000879573084 590809350 /nfs/dbraw/zinc/80/93/50/590809350.db2.gz LWTMIBBCWYTVAY-VHSXEESVSA-N 2 2 247.364 -0.699 20 0 BBADLP C[NH+]1CC[C@H]2C[N@H+](CCS(N)(=O)=O)CC[C@H]21 ZINC000879573084 590809348 /nfs/dbraw/zinc/80/93/48/590809348.db2.gz LWTMIBBCWYTVAY-VHSXEESVSA-N 2 2 247.364 -0.699 20 0 BBADLP C[N@H+]1CC[C@H]2C[NH+](CCS(N)(=O)=O)CC[C@H]21 ZINC000879573084 590809344 /nfs/dbraw/zinc/80/93/44/590809344.db2.gz LWTMIBBCWYTVAY-VHSXEESVSA-N 2 2 247.364 -0.699 20 0 BBADLP C[N@@H+]1CC[C@H]2C[NH+](CCS(N)(=O)=O)CC[C@H]21 ZINC000879573084 590809342 /nfs/dbraw/zinc/80/93/42/590809342.db2.gz LWTMIBBCWYTVAY-VHSXEESVSA-N 2 2 247.364 -0.699 20 0 BBADLP C[NH+]1CC[C@@H]2C[N@@H+](CCS(N)(=O)=O)CC[C@@H]21 ZINC000879573085 590810679 /nfs/dbraw/zinc/81/06/79/590810679.db2.gz LWTMIBBCWYTVAY-ZJUUUORDSA-N 2 2 247.364 -0.699 20 0 BBADLP C[NH+]1CC[C@@H]2C[N@H+](CCS(N)(=O)=O)CC[C@@H]21 ZINC000879573085 590810675 /nfs/dbraw/zinc/81/06/75/590810675.db2.gz LWTMIBBCWYTVAY-ZJUUUORDSA-N 2 2 247.364 -0.699 20 0 BBADLP C[N@H+]1CC[C@@H]2C[NH+](CCS(N)(=O)=O)CC[C@@H]21 ZINC000879573085 590810671 /nfs/dbraw/zinc/81/06/71/590810671.db2.gz LWTMIBBCWYTVAY-ZJUUUORDSA-N 2 2 247.364 -0.699 20 0 BBADLP C[N@@H+]1CC[C@@H]2C[NH+](CCS(N)(=O)=O)CC[C@@H]21 ZINC000879573085 590810668 /nfs/dbraw/zinc/81/06/68/590810668.db2.gz LWTMIBBCWYTVAY-ZJUUUORDSA-N 2 2 247.364 -0.699 20 0 BBADLP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCNC3=O)CC[C@H]21 ZINC000879576738 590814977 /nfs/dbraw/zinc/81/49/77/590814977.db2.gz TWGKHJLYQGHLMQ-GMTAPVOTSA-N 2 2 223.320 -0.099 20 0 BBADLP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CC[C@H]21 ZINC000879576738 590814972 /nfs/dbraw/zinc/81/49/72/590814972.db2.gz TWGKHJLYQGHLMQ-GMTAPVOTSA-N 2 2 223.320 -0.099 20 0 BBADLP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCNC3=O)CC[C@H]21 ZINC000879576738 590814969 /nfs/dbraw/zinc/81/49/69/590814969.db2.gz TWGKHJLYQGHLMQ-GMTAPVOTSA-N 2 2 223.320 -0.099 20 0 BBADLP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCNC3=O)CC[C@H]21 ZINC000879576738 590814965 /nfs/dbraw/zinc/81/49/65/590814965.db2.gz TWGKHJLYQGHLMQ-GMTAPVOTSA-N 2 2 223.320 -0.099 20 0 BBADLP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCNC3=O)CC[C@H]21 ZINC000879576745 590815670 /nfs/dbraw/zinc/81/56/70/590815670.db2.gz TWGKHJLYQGHLMQ-MXWKQRLJSA-N 2 2 223.320 -0.099 20 0 BBADLP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CC[C@H]21 ZINC000879576745 590815667 /nfs/dbraw/zinc/81/56/67/590815667.db2.gz TWGKHJLYQGHLMQ-MXWKQRLJSA-N 2 2 223.320 -0.099 20 0 BBADLP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCNC3=O)CC[C@H]21 ZINC000879576745 590815666 /nfs/dbraw/zinc/81/56/66/590815666.db2.gz TWGKHJLYQGHLMQ-MXWKQRLJSA-N 2 2 223.320 -0.099 20 0 BBADLP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCNC3=O)CC[C@H]21 ZINC000879576745 590815662 /nfs/dbraw/zinc/81/56/62/590815662.db2.gz TWGKHJLYQGHLMQ-MXWKQRLJSA-N 2 2 223.320 -0.099 20 0 BBADLP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCNC3=O)CC[C@@H]21 ZINC000879576747 590814090 /nfs/dbraw/zinc/81/40/90/590814090.db2.gz TWGKHJLYQGHLMQ-OUAUKWLOSA-N 2 2 223.320 -0.099 20 0 BBADLP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CC[C@@H]21 ZINC000879576747 590814086 /nfs/dbraw/zinc/81/40/86/590814086.db2.gz TWGKHJLYQGHLMQ-OUAUKWLOSA-N 2 2 223.320 -0.099 20 0 BBADLP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCNC3=O)CC[C@@H]21 ZINC000879576747 590814082 /nfs/dbraw/zinc/81/40/82/590814082.db2.gz TWGKHJLYQGHLMQ-OUAUKWLOSA-N 2 2 223.320 -0.099 20 0 BBADLP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCNC3=O)CC[C@@H]21 ZINC000879576747 590814077 /nfs/dbraw/zinc/81/40/77/590814077.db2.gz TWGKHJLYQGHLMQ-OUAUKWLOSA-N 2 2 223.320 -0.099 20 0 BBADLP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCNC3=O)CC[C@@H]21 ZINC000879576748 590813118 /nfs/dbraw/zinc/81/31/18/590813118.db2.gz TWGKHJLYQGHLMQ-VWYCJHECSA-N 2 2 223.320 -0.099 20 0 BBADLP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CC[C@@H]21 ZINC000879576748 590813116 /nfs/dbraw/zinc/81/31/16/590813116.db2.gz TWGKHJLYQGHLMQ-VWYCJHECSA-N 2 2 223.320 -0.099 20 0 BBADLP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCNC3=O)CC[C@@H]21 ZINC000879576748 590813113 /nfs/dbraw/zinc/81/31/13/590813113.db2.gz TWGKHJLYQGHLMQ-VWYCJHECSA-N 2 2 223.320 -0.099 20 0 BBADLP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCNC3=O)CC[C@@H]21 ZINC000879576748 590813111 /nfs/dbraw/zinc/81/31/11/590813111.db2.gz TWGKHJLYQGHLMQ-VWYCJHECSA-N 2 2 223.320 -0.099 20 0 BBADLP C[NH+]1CC[C@@H]2C[N@@H+](CCn3cnnn3)CC[C@H]21 ZINC000879578607 590817852 /nfs/dbraw/zinc/81/78/52/590817852.db2.gz FTTAMAWPYKLASF-GHMZBOCLSA-N 2 2 236.323 -0.301 20 0 BBADLP C[NH+]1CC[C@@H]2C[N@H+](CCn3cnnn3)CC[C@H]21 ZINC000879578607 590817850 /nfs/dbraw/zinc/81/78/50/590817850.db2.gz FTTAMAWPYKLASF-GHMZBOCLSA-N 2 2 236.323 -0.301 20 0 BBADLP C[N@H+]1CC[C@@H]2C[NH+](CCn3cnnn3)CC[C@H]21 ZINC000879578607 590817848 /nfs/dbraw/zinc/81/78/48/590817848.db2.gz FTTAMAWPYKLASF-GHMZBOCLSA-N 2 2 236.323 -0.301 20 0 BBADLP C[N@@H+]1CC[C@@H]2C[NH+](CCn3cnnn3)CC[C@H]21 ZINC000879578607 590817845 /nfs/dbraw/zinc/81/78/45/590817845.db2.gz FTTAMAWPYKLASF-GHMZBOCLSA-N 2 2 236.323 -0.301 20 0 BBADLP C[NH+]1CC[C@@H]2C[N@@H+](CCn3cnnn3)CC[C@@H]21 ZINC000879578608 583440356 /nfs/dbraw/zinc/44/03/56/583440356.db2.gz FTTAMAWPYKLASF-MNOVXSKESA-N 2 2 236.323 -0.301 20 0 BBADLP C[NH+]1CC[C@@H]2C[N@H+](CCn3cnnn3)CC[C@@H]21 ZINC000879578608 583440354 /nfs/dbraw/zinc/44/03/54/583440354.db2.gz FTTAMAWPYKLASF-MNOVXSKESA-N 2 2 236.323 -0.301 20 0 BBADLP C[N@H+]1CC[C@@H]2C[NH+](CCn3cnnn3)CC[C@@H]21 ZINC000879578608 583440352 /nfs/dbraw/zinc/44/03/52/583440352.db2.gz FTTAMAWPYKLASF-MNOVXSKESA-N 2 2 236.323 -0.301 20 0 BBADLP C[N@@H+]1CC[C@@H]2C[NH+](CCn3cnnn3)CC[C@@H]21 ZINC000879578608 583440350 /nfs/dbraw/zinc/44/03/50/583440350.db2.gz FTTAMAWPYKLASF-MNOVXSKESA-N 2 2 236.323 -0.301 20 0 BBADLP C[NH+]1CC[C@H]2C[N@@H+](CCn3cnnn3)CC[C@@H]21 ZINC000879578609 583440235 /nfs/dbraw/zinc/44/02/35/583440235.db2.gz FTTAMAWPYKLASF-QWRGUYRKSA-N 2 2 236.323 -0.301 20 0 BBADLP C[NH+]1CC[C@H]2C[N@H+](CCn3cnnn3)CC[C@@H]21 ZINC000879578609 583440234 /nfs/dbraw/zinc/44/02/34/583440234.db2.gz FTTAMAWPYKLASF-QWRGUYRKSA-N 2 2 236.323 -0.301 20 0 BBADLP C[N@H+]1CC[C@H]2C[NH+](CCn3cnnn3)CC[C@@H]21 ZINC000879578609 583440232 /nfs/dbraw/zinc/44/02/32/583440232.db2.gz FTTAMAWPYKLASF-QWRGUYRKSA-N 2 2 236.323 -0.301 20 0 BBADLP C[N@@H+]1CC[C@H]2C[NH+](CCn3cnnn3)CC[C@@H]21 ZINC000879578609 583440230 /nfs/dbraw/zinc/44/02/30/583440230.db2.gz FTTAMAWPYKLASF-QWRGUYRKSA-N 2 2 236.323 -0.301 20 0 BBADLP C[NH+]1CC[C@H]2C[N@@H+](CCn3cnnn3)CC[C@H]21 ZINC000879578610 583440330 /nfs/dbraw/zinc/44/03/30/583440330.db2.gz FTTAMAWPYKLASF-WDEREUQCSA-N 2 2 236.323 -0.301 20 0 BBADLP C[NH+]1CC[C@H]2C[N@H+](CCn3cnnn3)CC[C@H]21 ZINC000879578610 583440328 /nfs/dbraw/zinc/44/03/28/583440328.db2.gz FTTAMAWPYKLASF-WDEREUQCSA-N 2 2 236.323 -0.301 20 0 BBADLP C[N@H+]1CC[C@H]2C[NH+](CCn3cnnn3)CC[C@H]21 ZINC000879578610 583440326 /nfs/dbraw/zinc/44/03/26/583440326.db2.gz FTTAMAWPYKLASF-WDEREUQCSA-N 2 2 236.323 -0.301 20 0 BBADLP C[N@@H+]1CC[C@H]2C[NH+](CCn3cnnn3)CC[C@H]21 ZINC000879578610 583440324 /nfs/dbraw/zinc/44/03/24/583440324.db2.gz FTTAMAWPYKLASF-WDEREUQCSA-N 2 2 236.323 -0.301 20 0 BBADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879609063 590828692 /nfs/dbraw/zinc/82/86/92/590828692.db2.gz LOUCDJPDDDQSRR-NEPJUHHUSA-N 2 2 239.319 -0.220 20 0 BBADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879609063 590828690 /nfs/dbraw/zinc/82/86/90/590828690.db2.gz LOUCDJPDDDQSRR-NEPJUHHUSA-N 2 2 239.319 -0.220 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879609459 590828028 /nfs/dbraw/zinc/82/80/28/590828028.db2.gz WSINIXSKMAWZKV-TUAOUCFPSA-N 2 2 246.351 -0.885 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879609459 590828025 /nfs/dbraw/zinc/82/80/25/590828025.db2.gz WSINIXSKMAWZKV-TUAOUCFPSA-N 2 2 246.351 -0.885 20 0 BBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879609459 590828021 /nfs/dbraw/zinc/82/80/21/590828021.db2.gz WSINIXSKMAWZKV-TUAOUCFPSA-N 2 2 246.351 -0.885 20 0 BBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879609459 590828015 /nfs/dbraw/zinc/82/80/15/590828015.db2.gz WSINIXSKMAWZKV-TUAOUCFPSA-N 2 2 246.351 -0.885 20 0 BBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879609460 590828469 /nfs/dbraw/zinc/82/84/69/590828469.db2.gz WSINIXSKMAWZKV-UTUOFQBUSA-N 2 2 246.351 -0.885 20 0 BBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879609460 590828463 /nfs/dbraw/zinc/82/84/63/590828463.db2.gz WSINIXSKMAWZKV-UTUOFQBUSA-N 2 2 246.351 -0.885 20 0 BBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879609460 590828442 /nfs/dbraw/zinc/82/84/42/590828442.db2.gz WSINIXSKMAWZKV-UTUOFQBUSA-N 2 2 246.351 -0.885 20 0 BBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879609460 590828437 /nfs/dbraw/zinc/82/84/37/590828437.db2.gz WSINIXSKMAWZKV-UTUOFQBUSA-N 2 2 246.351 -0.885 20 0 BBADLP Cc1[nH+]ccn1CC[N@H+](C)CCS(N)(=O)=O ZINC000880083519 590921115 /nfs/dbraw/zinc/92/11/15/590921115.db2.gz CHFQZHANYOZHSL-UHFFFAOYSA-N 2 2 246.336 -0.588 20 0 BBADLP Cc1[nH+]ccn1CC[N@@H+](C)CCS(N)(=O)=O ZINC000880083519 590921111 /nfs/dbraw/zinc/92/11/11/590921111.db2.gz CHFQZHANYOZHSL-UHFFFAOYSA-N 2 2 246.336 -0.588 20 0 BBADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)CCS(N)(=O)=O ZINC000880083975 590921315 /nfs/dbraw/zinc/92/13/15/590921315.db2.gz FSIPZPLSWFHHLM-JTQLQIEISA-N 2 2 249.380 -0.309 20 0 BBADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)CCS(N)(=O)=O ZINC000880083975 590921312 /nfs/dbraw/zinc/92/13/12/590921312.db2.gz FSIPZPLSWFHHLM-JTQLQIEISA-N 2 2 249.380 -0.309 20 0 BBADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)CCS(N)(=O)=O ZINC000880083975 590921310 /nfs/dbraw/zinc/92/13/10/590921310.db2.gz FSIPZPLSWFHHLM-JTQLQIEISA-N 2 2 249.380 -0.309 20 0 BBADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)CCS(N)(=O)=O ZINC000880083975 590921307 /nfs/dbraw/zinc/92/13/07/590921307.db2.gz FSIPZPLSWFHHLM-JTQLQIEISA-N 2 2 249.380 -0.309 20 0 BBADLP C[NH+](CC[C@H]1CCC[N@H+]1C)CCS(N)(=O)=O ZINC000880083978 590921083 /nfs/dbraw/zinc/92/10/83/590921083.db2.gz FSIPZPLSWFHHLM-SNVBAGLBSA-N 2 2 249.380 -0.309 20 0 BBADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)CCS(N)(=O)=O ZINC000880083978 590921081 /nfs/dbraw/zinc/92/10/81/590921081.db2.gz FSIPZPLSWFHHLM-SNVBAGLBSA-N 2 2 249.380 -0.309 20 0 BBADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)CCS(N)(=O)=O ZINC000880083978 590921079 /nfs/dbraw/zinc/92/10/79/590921079.db2.gz FSIPZPLSWFHHLM-SNVBAGLBSA-N 2 2 249.380 -0.309 20 0 BBADLP C[N@H+](CC[C@H]1CCC[NH+]1C)CCS(N)(=O)=O ZINC000880083978 590921077 /nfs/dbraw/zinc/92/10/77/590921077.db2.gz FSIPZPLSWFHHLM-SNVBAGLBSA-N 2 2 249.380 -0.309 20 0 BBADLP C[N@@H+](CCn1cc[nH+]c1)CCS(N)(=O)=O ZINC000880084313 590922081 /nfs/dbraw/zinc/92/20/81/590922081.db2.gz IZKRIZBGVDMTNE-UHFFFAOYSA-N 2 2 232.309 -0.897 20 0 BBADLP C[N@H+](CCn1cc[nH+]c1)CCS(N)(=O)=O ZINC000880084313 590922078 /nfs/dbraw/zinc/92/20/78/590922078.db2.gz IZKRIZBGVDMTNE-UHFFFAOYSA-N 2 2 232.309 -0.897 20 0 BBADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCn1cnnn1 ZINC000880141851 590942574 /nfs/dbraw/zinc/94/25/74/590942574.db2.gz VVUVSYYPQUXGJT-GHMZBOCLSA-N 2 2 236.323 -0.158 20 0 BBADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCn1cnnn1 ZINC000880141851 590942573 /nfs/dbraw/zinc/94/25/73/590942573.db2.gz VVUVSYYPQUXGJT-GHMZBOCLSA-N 2 2 236.323 -0.158 20 0 BBADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCn1cnnn1 ZINC000880141851 590942572 /nfs/dbraw/zinc/94/25/72/590942572.db2.gz VVUVSYYPQUXGJT-GHMZBOCLSA-N 2 2 236.323 -0.158 20 0 BBADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCn1cnnn1 ZINC000880141851 590942571 /nfs/dbraw/zinc/94/25/71/590942571.db2.gz VVUVSYYPQUXGJT-GHMZBOCLSA-N 2 2 236.323 -0.158 20 0 BBADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCn1cnnn1 ZINC000880141853 590941787 /nfs/dbraw/zinc/94/17/87/590941787.db2.gz VVUVSYYPQUXGJT-MNOVXSKESA-N 2 2 236.323 -0.158 20 0 BBADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCn1cnnn1 ZINC000880141853 590941785 /nfs/dbraw/zinc/94/17/85/590941785.db2.gz VVUVSYYPQUXGJT-MNOVXSKESA-N 2 2 236.323 -0.158 20 0 BBADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCn1cnnn1 ZINC000880141853 590941783 /nfs/dbraw/zinc/94/17/83/590941783.db2.gz VVUVSYYPQUXGJT-MNOVXSKESA-N 2 2 236.323 -0.158 20 0 BBADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCn1cnnn1 ZINC000880141853 590941781 /nfs/dbraw/zinc/94/17/81/590941781.db2.gz VVUVSYYPQUXGJT-MNOVXSKESA-N 2 2 236.323 -0.158 20 0 BBADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCn1cnnn1 ZINC000880141855 590941230 /nfs/dbraw/zinc/94/12/30/590941230.db2.gz VVUVSYYPQUXGJT-QWRGUYRKSA-N 2 2 236.323 -0.158 20 0 BBADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCn1cnnn1 ZINC000880141855 590941226 /nfs/dbraw/zinc/94/12/26/590941226.db2.gz VVUVSYYPQUXGJT-QWRGUYRKSA-N 2 2 236.323 -0.158 20 0 BBADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCn1cnnn1 ZINC000880141855 590941224 /nfs/dbraw/zinc/94/12/24/590941224.db2.gz VVUVSYYPQUXGJT-QWRGUYRKSA-N 2 2 236.323 -0.158 20 0 BBADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCn1cnnn1 ZINC000880141855 590941221 /nfs/dbraw/zinc/94/12/21/590941221.db2.gz VVUVSYYPQUXGJT-QWRGUYRKSA-N 2 2 236.323 -0.158 20 0 BBADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCn1cnnn1 ZINC000880141856 590941421 /nfs/dbraw/zinc/94/14/21/590941421.db2.gz VVUVSYYPQUXGJT-WDEREUQCSA-N 2 2 236.323 -0.158 20 0 BBADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCn1cnnn1 ZINC000880141856 590941420 /nfs/dbraw/zinc/94/14/20/590941420.db2.gz VVUVSYYPQUXGJT-WDEREUQCSA-N 2 2 236.323 -0.158 20 0 BBADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCn1cnnn1 ZINC000880141856 590941416 /nfs/dbraw/zinc/94/14/16/590941416.db2.gz VVUVSYYPQUXGJT-WDEREUQCSA-N 2 2 236.323 -0.158 20 0 BBADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCn1cnnn1 ZINC000880141856 590941414 /nfs/dbraw/zinc/94/14/14/590941414.db2.gz VVUVSYYPQUXGJT-WDEREUQCSA-N 2 2 236.323 -0.158 20 0 BBADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000880416914 591025883 /nfs/dbraw/zinc/02/58/83/591025883.db2.gz BWXSNZLDUYCLEJ-IJLUTSLNSA-N 2 2 226.320 -0.490 20 0 BBADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000880416914 591025880 /nfs/dbraw/zinc/02/58/80/591025880.db2.gz BWXSNZLDUYCLEJ-IJLUTSLNSA-N 2 2 226.320 -0.490 20 0 BBADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000880416916 591025950 /nfs/dbraw/zinc/02/59/50/591025950.db2.gz BWXSNZLDUYCLEJ-TUAOUCFPSA-N 2 2 226.320 -0.490 20 0 BBADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000880416916 591025946 /nfs/dbraw/zinc/02/59/46/591025946.db2.gz BWXSNZLDUYCLEJ-TUAOUCFPSA-N 2 2 226.320 -0.490 20 0 BBADLP OC[C@H]1C=CC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000880485100 591059606 /nfs/dbraw/zinc/05/96/06/591059606.db2.gz DTEUVYYBZUHTSR-NEPJUHHUSA-N 2 2 226.320 -0.324 20 0 BBADLP OC[C@H]1C=CC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000880485100 591059601 /nfs/dbraw/zinc/05/96/01/591059601.db2.gz DTEUVYYBZUHTSR-NEPJUHHUSA-N 2 2 226.320 -0.324 20 0 BBADLP OC[C@@H]1C=CC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000880485113 591057691 /nfs/dbraw/zinc/05/76/91/591057691.db2.gz DTEUVYYBZUHTSR-NWDGAFQWSA-N 2 2 226.320 -0.324 20 0 BBADLP OC[C@@H]1C=CC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000880485113 591057688 /nfs/dbraw/zinc/05/76/88/591057688.db2.gz DTEUVYYBZUHTSR-NWDGAFQWSA-N 2 2 226.320 -0.324 20 0 BBADLP OC[C@@H]1C=CC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000880485115 591058361 /nfs/dbraw/zinc/05/83/61/591058361.db2.gz DTEUVYYBZUHTSR-RYUDHWBXSA-N 2 2 226.320 -0.324 20 0 BBADLP OC[C@@H]1C=CC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000880485115 591058357 /nfs/dbraw/zinc/05/83/57/591058357.db2.gz DTEUVYYBZUHTSR-RYUDHWBXSA-N 2 2 226.320 -0.324 20 0 BBADLP OC[C@H]1C=CC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000880485117 583544219 /nfs/dbraw/zinc/54/42/19/583544219.db2.gz DTEUVYYBZUHTSR-VXGBXAGGSA-N 2 2 226.320 -0.324 20 0 BBADLP OC[C@H]1C=CC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000880485117 583544217 /nfs/dbraw/zinc/54/42/17/583544217.db2.gz DTEUVYYBZUHTSR-VXGBXAGGSA-N 2 2 226.320 -0.324 20 0 BBADLP OC[C@H]1C=CC[NH+]1CCC[N@H+]1CC=C[C@H]1CO ZINC000880489972 591065754 /nfs/dbraw/zinc/06/57/54/591065754.db2.gz ZVRMTCRRWMXZSG-BETUJISGSA-N 2 2 238.331 -0.158 20 0 BBADLP OC[C@H]1C=CC[NH+]1CCC[N@@H+]1CC=C[C@H]1CO ZINC000880489972 591065748 /nfs/dbraw/zinc/06/57/48/591065748.db2.gz ZVRMTCRRWMXZSG-BETUJISGSA-N 2 2 238.331 -0.158 20 0 BBADLP OC[C@H]1C=CC[N@H+]1CCC[NH+]1CC=C[C@H]1CO ZINC000880489972 591065743 /nfs/dbraw/zinc/06/57/43/591065743.db2.gz ZVRMTCRRWMXZSG-BETUJISGSA-N 2 2 238.331 -0.158 20 0 BBADLP OC[C@H]1C=CC[N@@H+]1CCC[NH+]1CC=C[C@H]1CO ZINC000880489972 591065741 /nfs/dbraw/zinc/06/57/41/591065741.db2.gz ZVRMTCRRWMXZSG-BETUJISGSA-N 2 2 238.331 -0.158 20 0 BBADLP OC[C@H]1C=CC[NH+]1CCC[N@@H+]1CC=C[C@@H]1CO ZINC000880489973 591066496 /nfs/dbraw/zinc/06/64/96/591066496.db2.gz ZVRMTCRRWMXZSG-CHWSQXEVSA-N 2 2 238.331 -0.158 20 0 BBADLP OC[C@H]1C=CC[NH+]1CCC[N@H+]1CC=C[C@@H]1CO ZINC000880489973 591066493 /nfs/dbraw/zinc/06/64/93/591066493.db2.gz ZVRMTCRRWMXZSG-CHWSQXEVSA-N 2 2 238.331 -0.158 20 0 BBADLP OC[C@@H]1C=CC[NH+]1CCC[N@@H+]1CC=C[C@H]1CO ZINC000880489974 591065769 /nfs/dbraw/zinc/06/57/69/591065769.db2.gz ZVRMTCRRWMXZSG-STQMWFEESA-N 2 2 238.331 -0.158 20 0 BBADLP OC[C@@H]1C=CC[NH+]1CCC[N@H+]1CC=C[C@H]1CO ZINC000880489974 591065766 /nfs/dbraw/zinc/06/57/66/591065766.db2.gz ZVRMTCRRWMXZSG-STQMWFEESA-N 2 2 238.331 -0.158 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC=C[C@@H]1CO ZINC000880491468 591067722 /nfs/dbraw/zinc/06/77/22/591067722.db2.gz JWQHEIZLXXDVDZ-GHMZBOCLSA-N 2 2 214.309 -0.468 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC=C[C@@H]1CO ZINC000880491468 591067717 /nfs/dbraw/zinc/06/77/17/591067717.db2.gz JWQHEIZLXXDVDZ-GHMZBOCLSA-N 2 2 214.309 -0.468 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC=C[C@@H]1CO ZINC000880491468 591067712 /nfs/dbraw/zinc/06/77/12/591067712.db2.gz JWQHEIZLXXDVDZ-GHMZBOCLSA-N 2 2 214.309 -0.468 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC=C[C@@H]1CO ZINC000880491468 591067707 /nfs/dbraw/zinc/06/77/07/591067707.db2.gz JWQHEIZLXXDVDZ-GHMZBOCLSA-N 2 2 214.309 -0.468 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC=C[C@@H]1CO ZINC000880491469 591069893 /nfs/dbraw/zinc/06/98/93/591069893.db2.gz JWQHEIZLXXDVDZ-MNOVXSKESA-N 2 2 214.309 -0.468 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC=C[C@@H]1CO ZINC000880491469 591069888 /nfs/dbraw/zinc/06/98/88/591069888.db2.gz JWQHEIZLXXDVDZ-MNOVXSKESA-N 2 2 214.309 -0.468 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC=C[C@@H]1CO ZINC000880491469 591069883 /nfs/dbraw/zinc/06/98/83/591069883.db2.gz JWQHEIZLXXDVDZ-MNOVXSKESA-N 2 2 214.309 -0.468 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC=C[C@@H]1CO ZINC000880491469 591069878 /nfs/dbraw/zinc/06/98/78/591069878.db2.gz JWQHEIZLXXDVDZ-MNOVXSKESA-N 2 2 214.309 -0.468 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC=C[C@H]1CO ZINC000880491470 591068023 /nfs/dbraw/zinc/06/80/23/591068023.db2.gz JWQHEIZLXXDVDZ-QWRGUYRKSA-N 2 2 214.309 -0.468 20 0 BBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC=C[C@H]1CO ZINC000880491470 591068017 /nfs/dbraw/zinc/06/80/17/591068017.db2.gz JWQHEIZLXXDVDZ-QWRGUYRKSA-N 2 2 214.309 -0.468 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC=C[C@H]1CO ZINC000880491470 591068012 /nfs/dbraw/zinc/06/80/12/591068012.db2.gz JWQHEIZLXXDVDZ-QWRGUYRKSA-N 2 2 214.309 -0.468 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC=C[C@H]1CO ZINC000880491470 591068009 /nfs/dbraw/zinc/06/80/09/591068009.db2.gz JWQHEIZLXXDVDZ-QWRGUYRKSA-N 2 2 214.309 -0.468 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC=C[C@H]1CO ZINC000880491471 591068894 /nfs/dbraw/zinc/06/88/94/591068894.db2.gz JWQHEIZLXXDVDZ-WDEREUQCSA-N 2 2 214.309 -0.468 20 0 BBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC=C[C@H]1CO ZINC000880491471 591068889 /nfs/dbraw/zinc/06/88/89/591068889.db2.gz JWQHEIZLXXDVDZ-WDEREUQCSA-N 2 2 214.309 -0.468 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC=C[C@H]1CO ZINC000880491471 591068884 /nfs/dbraw/zinc/06/88/84/591068884.db2.gz JWQHEIZLXXDVDZ-WDEREUQCSA-N 2 2 214.309 -0.468 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC=C[C@H]1CO ZINC000880491471 591068880 /nfs/dbraw/zinc/06/88/80/591068880.db2.gz JWQHEIZLXXDVDZ-WDEREUQCSA-N 2 2 214.309 -0.468 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC=C[C@@H]1CO ZINC000880492532 591071467 /nfs/dbraw/zinc/07/14/67/591071467.db2.gz SMQODEHYKXHZHK-NEPJUHHUSA-N 2 2 228.336 -0.080 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC=C[C@@H]1CO ZINC000880492532 591071464 /nfs/dbraw/zinc/07/14/64/591071464.db2.gz SMQODEHYKXHZHK-NEPJUHHUSA-N 2 2 228.336 -0.080 20 0 BBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC=C[C@@H]1CO ZINC000880492532 591071461 /nfs/dbraw/zinc/07/14/61/591071461.db2.gz SMQODEHYKXHZHK-NEPJUHHUSA-N 2 2 228.336 -0.080 20 0 BBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC=C[C@@H]1CO ZINC000880492532 591071459 /nfs/dbraw/zinc/07/14/59/591071459.db2.gz SMQODEHYKXHZHK-NEPJUHHUSA-N 2 2 228.336 -0.080 20 0 BBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC=C[C@H]1CO ZINC000880492533 591070407 /nfs/dbraw/zinc/07/04/07/591070407.db2.gz SMQODEHYKXHZHK-NWDGAFQWSA-N 2 2 228.336 -0.080 20 0 BBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC=C[C@H]1CO ZINC000880492533 591070402 /nfs/dbraw/zinc/07/04/02/591070402.db2.gz SMQODEHYKXHZHK-NWDGAFQWSA-N 2 2 228.336 -0.080 20 0 BBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC=C[C@H]1CO ZINC000880492533 591070399 /nfs/dbraw/zinc/07/03/99/591070399.db2.gz SMQODEHYKXHZHK-NWDGAFQWSA-N 2 2 228.336 -0.080 20 0 BBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC=C[C@H]1CO ZINC000880492533 591070392 /nfs/dbraw/zinc/07/03/92/591070392.db2.gz SMQODEHYKXHZHK-NWDGAFQWSA-N 2 2 228.336 -0.080 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC=C[C@H]1CO ZINC000880492534 591070675 /nfs/dbraw/zinc/07/06/75/591070675.db2.gz SMQODEHYKXHZHK-RYUDHWBXSA-N 2 2 228.336 -0.080 20 0 BBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC=C[C@H]1CO ZINC000880492534 591070671 /nfs/dbraw/zinc/07/06/71/591070671.db2.gz SMQODEHYKXHZHK-RYUDHWBXSA-N 2 2 228.336 -0.080 20 0 BBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC=C[C@H]1CO ZINC000880492534 591070666 /nfs/dbraw/zinc/07/06/66/591070666.db2.gz SMQODEHYKXHZHK-RYUDHWBXSA-N 2 2 228.336 -0.080 20 0 BBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC=C[C@H]1CO ZINC000880492534 591070662 /nfs/dbraw/zinc/07/06/62/591070662.db2.gz SMQODEHYKXHZHK-RYUDHWBXSA-N 2 2 228.336 -0.080 20 0 BBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC=C[C@@H]1CO ZINC000880492535 591070816 /nfs/dbraw/zinc/07/08/16/591070816.db2.gz SMQODEHYKXHZHK-VXGBXAGGSA-N 2 2 228.336 -0.080 20 0 BBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC=C[C@@H]1CO ZINC000880492535 591070813 /nfs/dbraw/zinc/07/08/13/591070813.db2.gz SMQODEHYKXHZHK-VXGBXAGGSA-N 2 2 228.336 -0.080 20 0 BBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC=C[C@@H]1CO ZINC000880492535 591070809 /nfs/dbraw/zinc/07/08/09/591070809.db2.gz SMQODEHYKXHZHK-VXGBXAGGSA-N 2 2 228.336 -0.080 20 0 BBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC=C[C@@H]1CO ZINC000880492535 591070804 /nfs/dbraw/zinc/07/08/04/591070804.db2.gz SMQODEHYKXHZHK-VXGBXAGGSA-N 2 2 228.336 -0.080 20 0 BBADLP C[NH+](C[C@H](O)C[N@H+]1CC=C[C@@H]1CO)C1CC1 ZINC000880492892 591071646 /nfs/dbraw/zinc/07/16/46/591071646.db2.gz XMFHEYIKFNZRBI-NEPJUHHUSA-N 2 2 226.320 -0.326 20 0 BBADLP C[NH+](C[C@H](O)C[N@@H+]1CC=C[C@@H]1CO)C1CC1 ZINC000880492892 591071642 /nfs/dbraw/zinc/07/16/42/591071642.db2.gz XMFHEYIKFNZRBI-NEPJUHHUSA-N 2 2 226.320 -0.326 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH+]1CC=C[C@@H]1CO)C1CC1 ZINC000880492892 591071638 /nfs/dbraw/zinc/07/16/38/591071638.db2.gz XMFHEYIKFNZRBI-NEPJUHHUSA-N 2 2 226.320 -0.326 20 0 BBADLP C[N@H+](C[C@H](O)C[NH+]1CC=C[C@@H]1CO)C1CC1 ZINC000880492892 591071632 /nfs/dbraw/zinc/07/16/32/591071632.db2.gz XMFHEYIKFNZRBI-NEPJUHHUSA-N 2 2 226.320 -0.326 20 0 BBADLP C[NH+](C[C@@H](O)C[N@H+]1CC=C[C@H]1CO)C1CC1 ZINC000880492893 591070372 /nfs/dbraw/zinc/07/03/72/591070372.db2.gz XMFHEYIKFNZRBI-NWDGAFQWSA-N 2 2 226.320 -0.326 20 0 BBADLP C[NH+](C[C@@H](O)C[N@@H+]1CC=C[C@H]1CO)C1CC1 ZINC000880492893 591070369 /nfs/dbraw/zinc/07/03/69/591070369.db2.gz XMFHEYIKFNZRBI-NWDGAFQWSA-N 2 2 226.320 -0.326 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH+]1CC=C[C@H]1CO)C1CC1 ZINC000880492893 591070366 /nfs/dbraw/zinc/07/03/66/591070366.db2.gz XMFHEYIKFNZRBI-NWDGAFQWSA-N 2 2 226.320 -0.326 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH+]1CC=C[C@H]1CO)C1CC1 ZINC000880492893 591070363 /nfs/dbraw/zinc/07/03/63/591070363.db2.gz XMFHEYIKFNZRBI-NWDGAFQWSA-N 2 2 226.320 -0.326 20 0 BBADLP C[NH+](C[C@H](O)C[N@H+]1CC=C[C@H]1CO)C1CC1 ZINC000880492894 591072399 /nfs/dbraw/zinc/07/23/99/591072399.db2.gz XMFHEYIKFNZRBI-RYUDHWBXSA-N 2 2 226.320 -0.326 20 0 BBADLP C[NH+](C[C@H](O)C[N@@H+]1CC=C[C@H]1CO)C1CC1 ZINC000880492894 591072398 /nfs/dbraw/zinc/07/23/98/591072398.db2.gz XMFHEYIKFNZRBI-RYUDHWBXSA-N 2 2 226.320 -0.326 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH+]1CC=C[C@H]1CO)C1CC1 ZINC000880492894 591072393 /nfs/dbraw/zinc/07/23/93/591072393.db2.gz XMFHEYIKFNZRBI-RYUDHWBXSA-N 2 2 226.320 -0.326 20 0 BBADLP C[N@H+](C[C@H](O)C[NH+]1CC=C[C@H]1CO)C1CC1 ZINC000880492894 591072388 /nfs/dbraw/zinc/07/23/88/591072388.db2.gz XMFHEYIKFNZRBI-RYUDHWBXSA-N 2 2 226.320 -0.326 20 0 BBADLP C[NH+](C[C@@H](O)C[N@H+]1CC=C[C@@H]1CO)C1CC1 ZINC000880492895 591071682 /nfs/dbraw/zinc/07/16/82/591071682.db2.gz XMFHEYIKFNZRBI-VXGBXAGGSA-N 2 2 226.320 -0.326 20 0 BBADLP C[NH+](C[C@@H](O)C[N@@H+]1CC=C[C@@H]1CO)C1CC1 ZINC000880492895 591071679 /nfs/dbraw/zinc/07/16/79/591071679.db2.gz XMFHEYIKFNZRBI-VXGBXAGGSA-N 2 2 226.320 -0.326 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH+]1CC=C[C@@H]1CO)C1CC1 ZINC000880492895 591071672 /nfs/dbraw/zinc/07/16/72/591071672.db2.gz XMFHEYIKFNZRBI-VXGBXAGGSA-N 2 2 226.320 -0.326 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH+]1CC=C[C@@H]1CO)C1CC1 ZINC000880492895 591071667 /nfs/dbraw/zinc/07/16/67/591071667.db2.gz XMFHEYIKFNZRBI-VXGBXAGGSA-N 2 2 226.320 -0.326 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC=C[C@@H]1CO ZINC000880493209 591071222 /nfs/dbraw/zinc/07/12/22/591071222.db2.gz ZQGXBRXMMLTJLV-NEPJUHHUSA-N 2 2 244.335 -0.842 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC=C[C@@H]1CO ZINC000880493209 591071218 /nfs/dbraw/zinc/07/12/18/591071218.db2.gz ZQGXBRXMMLTJLV-NEPJUHHUSA-N 2 2 244.335 -0.842 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC=C[C@@H]1CO ZINC000880493209 591071214 /nfs/dbraw/zinc/07/12/14/591071214.db2.gz ZQGXBRXMMLTJLV-NEPJUHHUSA-N 2 2 244.335 -0.842 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC=C[C@@H]1CO ZINC000880493209 591071212 /nfs/dbraw/zinc/07/12/12/591071212.db2.gz ZQGXBRXMMLTJLV-NEPJUHHUSA-N 2 2 244.335 -0.842 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC=C[C@H]1CO ZINC000880493210 591071040 /nfs/dbraw/zinc/07/10/40/591071040.db2.gz ZQGXBRXMMLTJLV-NWDGAFQWSA-N 2 2 244.335 -0.842 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC=C[C@H]1CO ZINC000880493210 591071036 /nfs/dbraw/zinc/07/10/36/591071036.db2.gz ZQGXBRXMMLTJLV-NWDGAFQWSA-N 2 2 244.335 -0.842 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC=C[C@H]1CO ZINC000880493210 591071033 /nfs/dbraw/zinc/07/10/33/591071033.db2.gz ZQGXBRXMMLTJLV-NWDGAFQWSA-N 2 2 244.335 -0.842 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC=C[C@H]1CO ZINC000880493210 591071029 /nfs/dbraw/zinc/07/10/29/591071029.db2.gz ZQGXBRXMMLTJLV-NWDGAFQWSA-N 2 2 244.335 -0.842 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC=C[C@H]1CO ZINC000880493212 591070302 /nfs/dbraw/zinc/07/03/02/591070302.db2.gz ZQGXBRXMMLTJLV-RYUDHWBXSA-N 2 2 244.335 -0.842 20 0 BBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC=C[C@H]1CO ZINC000880493212 591070298 /nfs/dbraw/zinc/07/02/98/591070298.db2.gz ZQGXBRXMMLTJLV-RYUDHWBXSA-N 2 2 244.335 -0.842 20 0 BBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC=C[C@H]1CO ZINC000880493212 591070294 /nfs/dbraw/zinc/07/02/94/591070294.db2.gz ZQGXBRXMMLTJLV-RYUDHWBXSA-N 2 2 244.335 -0.842 20 0 BBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC=C[C@H]1CO ZINC000880493212 591070287 /nfs/dbraw/zinc/07/02/87/591070287.db2.gz ZQGXBRXMMLTJLV-RYUDHWBXSA-N 2 2 244.335 -0.842 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC=C[C@@H]1CO ZINC000880493214 591072242 /nfs/dbraw/zinc/07/22/42/591072242.db2.gz ZQGXBRXMMLTJLV-VXGBXAGGSA-N 2 2 244.335 -0.842 20 0 BBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC=C[C@@H]1CO ZINC000880493214 591072239 /nfs/dbraw/zinc/07/22/39/591072239.db2.gz ZQGXBRXMMLTJLV-VXGBXAGGSA-N 2 2 244.335 -0.842 20 0 BBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC=C[C@@H]1CO ZINC000880493214 591072236 /nfs/dbraw/zinc/07/22/36/591072236.db2.gz ZQGXBRXMMLTJLV-VXGBXAGGSA-N 2 2 244.335 -0.842 20 0 BBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC=C[C@@H]1CO ZINC000880493214 591072233 /nfs/dbraw/zinc/07/22/33/591072233.db2.gz ZQGXBRXMMLTJLV-VXGBXAGGSA-N 2 2 244.335 -0.842 20 0 BBADLP COC(=O)[C@@]1(O)CC[N@@H+](Cc2c[nH+]cn2C)C1 ZINC000880561400 591090915 /nfs/dbraw/zinc/09/09/15/591090915.db2.gz FEUZKPUEZFDNLA-LLVKDONJSA-N 2 2 239.275 -0.470 20 0 BBADLP COC(=O)[C@@]1(O)CC[N@H+](Cc2c[nH+]cn2C)C1 ZINC000880561400 591090911 /nfs/dbraw/zinc/09/09/11/591090911.db2.gz FEUZKPUEZFDNLA-LLVKDONJSA-N 2 2 239.275 -0.470 20 0 BBADLP COC(=O)[C@]1(O)CC[N@@H+](Cc2c[nH+]cn2C)C1 ZINC000880561402 591091640 /nfs/dbraw/zinc/09/16/40/591091640.db2.gz FEUZKPUEZFDNLA-NSHDSACASA-N 2 2 239.275 -0.470 20 0 BBADLP COC(=O)[C@]1(O)CC[N@H+](Cc2c[nH+]cn2C)C1 ZINC000880561402 591091635 /nfs/dbraw/zinc/09/16/35/591091635.db2.gz FEUZKPUEZFDNLA-NSHDSACASA-N 2 2 239.275 -0.470 20 0 BBADLP COC(=O)[C@@]1(O)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000880567078 591096759 /nfs/dbraw/zinc/09/67/59/591096759.db2.gz VOASNXFUKFRJIM-LLVKDONJSA-N 2 2 239.275 -0.507 20 0 BBADLP COC(=O)[C@@]1(O)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000880567078 591096757 /nfs/dbraw/zinc/09/67/57/591096757.db2.gz VOASNXFUKFRJIM-LLVKDONJSA-N 2 2 239.275 -0.507 20 0 BBADLP COC(=O)[C@]1(O)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000880567079 591096611 /nfs/dbraw/zinc/09/66/11/591096611.db2.gz VOASNXFUKFRJIM-NSHDSACASA-N 2 2 239.275 -0.507 20 0 BBADLP COC(=O)[C@]1(O)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000880567079 591096608 /nfs/dbraw/zinc/09/66/08/591096608.db2.gz VOASNXFUKFRJIM-NSHDSACASA-N 2 2 239.275 -0.507 20 0 BBADLP CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000882487381 591363490 /nfs/dbraw/zinc/36/34/90/591363490.db2.gz DJFNTQOHSXFCAX-GHMZBOCLSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000882487381 591363485 /nfs/dbraw/zinc/36/34/85/591363485.db2.gz DJFNTQOHSXFCAX-GHMZBOCLSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000882487381 591363481 /nfs/dbraw/zinc/36/34/81/591363481.db2.gz DJFNTQOHSXFCAX-GHMZBOCLSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000882487381 591363478 /nfs/dbraw/zinc/36/34/78/591363478.db2.gz DJFNTQOHSXFCAX-GHMZBOCLSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000882487389 591364337 /nfs/dbraw/zinc/36/43/37/591364337.db2.gz DJFNTQOHSXFCAX-MNOVXSKESA-N 2 2 241.335 -0.473 20 0 BBADLP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000882487389 591364335 /nfs/dbraw/zinc/36/43/35/591364335.db2.gz DJFNTQOHSXFCAX-MNOVXSKESA-N 2 2 241.335 -0.473 20 0 BBADLP CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000882487389 591364332 /nfs/dbraw/zinc/36/43/32/591364332.db2.gz DJFNTQOHSXFCAX-MNOVXSKESA-N 2 2 241.335 -0.473 20 0 BBADLP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000882487389 591364329 /nfs/dbraw/zinc/36/43/29/591364329.db2.gz DJFNTQOHSXFCAX-MNOVXSKESA-N 2 2 241.335 -0.473 20 0 BBADLP CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000882487391 591363828 /nfs/dbraw/zinc/36/38/28/591363828.db2.gz DJFNTQOHSXFCAX-QWRGUYRKSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000882487391 591363824 /nfs/dbraw/zinc/36/38/24/591363824.db2.gz DJFNTQOHSXFCAX-QWRGUYRKSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000882487391 591363822 /nfs/dbraw/zinc/36/38/22/591363822.db2.gz DJFNTQOHSXFCAX-QWRGUYRKSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000882487391 591363819 /nfs/dbraw/zinc/36/38/19/591363819.db2.gz DJFNTQOHSXFCAX-QWRGUYRKSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000882487392 583617835 /nfs/dbraw/zinc/61/78/35/583617835.db2.gz DJFNTQOHSXFCAX-WDEREUQCSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000882487392 583617834 /nfs/dbraw/zinc/61/78/34/583617834.db2.gz DJFNTQOHSXFCAX-WDEREUQCSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000882487392 583617833 /nfs/dbraw/zinc/61/78/33/583617833.db2.gz DJFNTQOHSXFCAX-WDEREUQCSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000882487392 583617832 /nfs/dbraw/zinc/61/78/32/583617832.db2.gz DJFNTQOHSXFCAX-WDEREUQCSA-N 2 2 241.335 -0.473 20 0 BBADLP NC(CO)=[NH+]OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000883012497 591513053 /nfs/dbraw/zinc/51/30/53/591513053.db2.gz ILIQXFWWAWORCM-DTORHVGOSA-N 2 2 229.280 -0.660 20 0 BBADLP NC(CO)=[NH+]OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000883012497 591513049 /nfs/dbraw/zinc/51/30/49/591513049.db2.gz ILIQXFWWAWORCM-DTORHVGOSA-N 2 2 229.280 -0.660 20 0 BBADLP NC(CO)=[NH+]OCC[NH+]1CCCCC1 ZINC000883012846 591513221 /nfs/dbraw/zinc/51/32/21/591513221.db2.gz VSLSYBRHBVNNTQ-UHFFFAOYSA-N 2 2 201.270 -0.037 20 0 BBADLP C[N@@H+](CC[NH2+]CC1(C)COC1)CCOCCO ZINC000883349277 591623805 /nfs/dbraw/zinc/62/38/05/591623805.db2.gz XBXCDFSOVUFBLA-UHFFFAOYSA-N 2 2 246.351 -0.447 20 0 BBADLP C[N@H+](CC[NH2+]CC1(C)COC1)CCOCCO ZINC000883349277 591623802 /nfs/dbraw/zinc/62/38/02/591623802.db2.gz XBXCDFSOVUFBLA-UHFFFAOYSA-N 2 2 246.351 -0.447 20 0 BBADLP C[N@@H+](CCNCc1[nH]cc[nH+]1)CCOCCO ZINC000883350452 591624772 /nfs/dbraw/zinc/62/47/72/591624772.db2.gz GTXRFFZPJWIQAM-UHFFFAOYSA-N 2 2 242.323 -0.560 20 0 BBADLP C[N@H+](CCNCc1[nH]cc[nH+]1)CCOCCO ZINC000883350452 591624771 /nfs/dbraw/zinc/62/47/71/591624771.db2.gz GTXRFFZPJWIQAM-UHFFFAOYSA-N 2 2 242.323 -0.560 20 0 BBADLP CN(CC[NH+]1CCOCC1)C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883430958 591662045 /nfs/dbraw/zinc/66/20/45/591662045.db2.gz IWABWBIAHQYESL-RYUDHWBXSA-N 2 2 245.342 -0.050 20 0 BBADLP c1nnnn1CC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000883433433 591663962 /nfs/dbraw/zinc/66/39/62/591663962.db2.gz PZPVNNIJGIOPEU-JTQLQIEISA-N 2 2 222.296 -0.499 20 0 BBADLP c1nnnn1CC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000883433433 591663959 /nfs/dbraw/zinc/66/39/59/591663959.db2.gz PZPVNNIJGIOPEU-JTQLQIEISA-N 2 2 222.296 -0.499 20 0 BBADLP c1nnnn1CC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000883433434 591664532 /nfs/dbraw/zinc/66/45/32/591664532.db2.gz PZPVNNIJGIOPEU-SNVBAGLBSA-N 2 2 222.296 -0.499 20 0 BBADLP c1nnnn1CC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000883433434 591664528 /nfs/dbraw/zinc/66/45/28/591664528.db2.gz PZPVNNIJGIOPEU-SNVBAGLBSA-N 2 2 222.296 -0.499 20 0 BBADLP C=C/C=C\CC[N@H+](CC[NH3+])C[C@H](O)CO ZINC000883435435 591665328 /nfs/dbraw/zinc/66/53/28/591665328.db2.gz SKXPDLOVGRMLJI-BYCRGOAPSA-N 2 2 214.309 -0.267 20 0 BBADLP C=C/C=C\CC[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000883435435 591665322 /nfs/dbraw/zinc/66/53/22/591665322.db2.gz SKXPDLOVGRMLJI-BYCRGOAPSA-N 2 2 214.309 -0.267 20 0 BBADLP C=C/C=C\CC[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000883435436 591666048 /nfs/dbraw/zinc/66/60/48/591666048.db2.gz SKXPDLOVGRMLJI-DLRQAJBASA-N 2 2 214.309 -0.267 20 0 BBADLP C=C/C=C\CC[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000883435436 591666045 /nfs/dbraw/zinc/66/60/45/591666045.db2.gz SKXPDLOVGRMLJI-DLRQAJBASA-N 2 2 214.309 -0.267 20 0 BBADLP C=C/C=C/CC[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000883435437 591666017 /nfs/dbraw/zinc/66/60/17/591666017.db2.gz SKXPDLOVGRMLJI-PGLGOXFNSA-N 2 2 214.309 -0.267 20 0 BBADLP C=C/C=C/CC[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000883435437 591666014 /nfs/dbraw/zinc/66/60/14/591666014.db2.gz SKXPDLOVGRMLJI-PGLGOXFNSA-N 2 2 214.309 -0.267 20 0 BBADLP C=C/C=C/CC[N@H+](CC[NH3+])C[C@H](O)CO ZINC000883435438 591666425 /nfs/dbraw/zinc/66/64/25/591666425.db2.gz SKXPDLOVGRMLJI-UFFNRZRYSA-N 2 2 214.309 -0.267 20 0 BBADLP C=C/C=C/CC[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000883435438 591666423 /nfs/dbraw/zinc/66/64/23/591666423.db2.gz SKXPDLOVGRMLJI-UFFNRZRYSA-N 2 2 214.309 -0.267 20 0 BBADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCn1cnnn1)C2 ZINC000883437312 591655675 /nfs/dbraw/zinc/65/56/75/591655675.db2.gz OKALCLXYVXVWGV-NXEZZACHSA-N 2 2 222.296 -0.514 20 0 BBADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCn1cnnn1)C2 ZINC000883437312 591655673 /nfs/dbraw/zinc/65/56/73/591655673.db2.gz OKALCLXYVXVWGV-NXEZZACHSA-N 2 2 222.296 -0.514 20 0 BBADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCn1cnnn1)C2 ZINC000883437313 591656238 /nfs/dbraw/zinc/65/62/38/591656238.db2.gz OKALCLXYVXVWGV-UWVGGRQHSA-N 2 2 222.296 -0.514 20 0 BBADLP [NH3+][C@]12CCC[C@H]1C[N@H+](CCn1cnnn1)C2 ZINC000883437313 591656235 /nfs/dbraw/zinc/65/62/35/591656235.db2.gz OKALCLXYVXVWGV-UWVGGRQHSA-N 2 2 222.296 -0.514 20 0 BBADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCn1cnnn1)C2 ZINC000883437314 591657097 /nfs/dbraw/zinc/65/70/97/591657097.db2.gz OKALCLXYVXVWGV-VHSXEESVSA-N 2 2 222.296 -0.514 20 0 BBADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCn1cnnn1)C2 ZINC000883437314 591657095 /nfs/dbraw/zinc/65/70/95/591657095.db2.gz OKALCLXYVXVWGV-VHSXEESVSA-N 2 2 222.296 -0.514 20 0 BBADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCn1cnnn1)C2 ZINC000883437315 591657564 /nfs/dbraw/zinc/65/75/64/591657564.db2.gz OKALCLXYVXVWGV-ZJUUUORDSA-N 2 2 222.296 -0.514 20 0 BBADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCn1cnnn1)C2 ZINC000883437315 591657562 /nfs/dbraw/zinc/65/75/62/591657562.db2.gz OKALCLXYVXVWGV-ZJUUUORDSA-N 2 2 222.296 -0.514 20 0 BBADLP C[NH2+]C[C@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000883449995 591671057 /nfs/dbraw/zinc/67/10/57/591671057.db2.gz WGSMMASRRRTXRG-CYBMUJFWSA-N 3 2 240.395 -0.035 20 0 BBADLP C[NH2+]C[C@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000883449995 591671055 /nfs/dbraw/zinc/67/10/55/591671055.db2.gz WGSMMASRRRTXRG-CYBMUJFWSA-N 3 2 240.395 -0.035 20 0 BBADLP C[NH2+]C[C@H]1CCCC[N@H+]1CCc1nnnn1C ZINC000883450348 591670878 /nfs/dbraw/zinc/67/08/78/591670878.db2.gz KGJQLYYAJPXORW-SNVBAGLBSA-N 2 2 238.339 -0.174 20 0 BBADLP C[NH2+]C[C@H]1CCCC[N@@H+]1CCc1nnnn1C ZINC000883450348 591670877 /nfs/dbraw/zinc/67/08/77/591670877.db2.gz KGJQLYYAJPXORW-SNVBAGLBSA-N 2 2 238.339 -0.174 20 0 BBADLP CC(C)C[C@@H](C(N)=O)[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000883462092 591674490 /nfs/dbraw/zinc/67/44/90/591674490.db2.gz JZYAEMVGBBVMGM-MNOVXSKESA-N 2 2 243.351 -0.193 20 0 BBADLP CC(C)C[C@@H](C(N)=O)[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000883462092 591674487 /nfs/dbraw/zinc/67/44/87/591674487.db2.gz JZYAEMVGBBVMGM-MNOVXSKESA-N 2 2 243.351 -0.193 20 0 BBADLP CC(C)C[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000883462093 591674105 /nfs/dbraw/zinc/67/41/05/591674105.db2.gz JZYAEMVGBBVMGM-QWRGUYRKSA-N 2 2 243.351 -0.193 20 0 BBADLP CC(C)C[C@@H](C(N)=O)[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000883462093 591674103 /nfs/dbraw/zinc/67/41/03/591674103.db2.gz JZYAEMVGBBVMGM-QWRGUYRKSA-N 2 2 243.351 -0.193 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884361663 591915041 /nfs/dbraw/zinc/91/50/41/591915041.db2.gz WXYVKGJUORLLNS-AEJSXWLSSA-N 3 2 242.367 -0.493 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884361664 591914420 /nfs/dbraw/zinc/91/44/20/591914420.db2.gz WXYVKGJUORLLNS-GUBZILKMSA-N 3 2 242.367 -0.493 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884361665 591914437 /nfs/dbraw/zinc/91/44/37/591914437.db2.gz WXYVKGJUORLLNS-IVZWLZJFSA-N 3 2 242.367 -0.493 20 0 BBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884361666 591914519 /nfs/dbraw/zinc/91/45/19/591914519.db2.gz WXYVKGJUORLLNS-LPEHRKFASA-N 3 2 242.367 -0.493 20 0 BBADLP CN(C)c1cc[nH+]c(NCC[N@@H+](C)CCO)n1 ZINC000884824587 592021935 /nfs/dbraw/zinc/02/19/35/592021935.db2.gz BWEMDZAJRCAYMX-UHFFFAOYSA-N 2 2 239.323 -0.121 20 0 BBADLP CN(C)c1cc[nH+]c(NCC[N@H+](C)CCO)n1 ZINC000884824587 592021932 /nfs/dbraw/zinc/02/19/32/592021932.db2.gz BWEMDZAJRCAYMX-UHFFFAOYSA-N 2 2 239.323 -0.121 20 0 BBADLP COc1c(N)[nH+]cnc1NCC[N@@H+](C)CCO ZINC000884825384 592024051 /nfs/dbraw/zinc/02/40/51/592024051.db2.gz UDGBGUOUWJZGNW-UHFFFAOYSA-N 2 2 241.295 -0.597 20 0 BBADLP COc1c(N)[nH+]cnc1NCC[N@H+](C)CCO ZINC000884825384 592024048 /nfs/dbraw/zinc/02/40/48/592024048.db2.gz UDGBGUOUWJZGNW-UHFFFAOYSA-N 2 2 241.295 -0.597 20 0 BBADLP C[N@@H+](CCO)CCNc1cc[nH+]cc1F ZINC000884826210 592018334 /nfs/dbraw/zinc/01/83/34/592018334.db2.gz OOSWXRUJZWELDS-UHFFFAOYSA-N 2 2 213.256 -0.021 20 0 BBADLP Cc1[nH+]cc(C[NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)n1C ZINC000886246896 592185702 /nfs/dbraw/zinc/18/57/02/592185702.db2.gz AKHNFYZAPDZJFX-UIKWRGBMSA-N 2 2 225.292 -0.298 20 0 BBADLP Cc1[nH+]cc(C[NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)n1C ZINC000886251340 592186768 /nfs/dbraw/zinc/18/67/68/592186768.db2.gz AKHNFYZAPDZJFX-GUDFOSOFSA-N 2 2 225.292 -0.298 20 0 BBADLP O[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C[C@@H]1O ZINC000886252220 585116303 /nfs/dbraw/zinc/11/63/03/585116303.db2.gz XNCWIANTGIOHGZ-GUDFOSOFSA-N 2 2 237.303 -0.197 20 0 BBADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000886516345 592242954 /nfs/dbraw/zinc/24/29/54/592242954.db2.gz DUYQZPPTEHSIRS-GHMZBOCLSA-N 2 2 225.292 -0.346 20 0 BBADLP Cn1c[nH+]cc1CC[N@H+](C)[C@@H]1COC[C@H]1O ZINC000886516345 592242951 /nfs/dbraw/zinc/24/29/51/592242951.db2.gz DUYQZPPTEHSIRS-GHMZBOCLSA-N 2 2 225.292 -0.346 20 0 BBADLP [NH3+]CC[N@@H+](C[C@H](O)CO)C[C@H]1C[C@@]12CCOC2 ZINC000886841276 592360207 /nfs/dbraw/zinc/36/02/07/592360207.db2.gz GWPCVISEOOHWIJ-GRYCIOLGSA-N 2 2 244.335 -0.973 20 0 BBADLP [NH3+]CC[N@H+](C[C@H](O)CO)C[C@H]1C[C@@]12CCOC2 ZINC000886841276 592360204 /nfs/dbraw/zinc/36/02/04/592360204.db2.gz GWPCVISEOOHWIJ-GRYCIOLGSA-N 2 2 244.335 -0.973 20 0 BBADLP [NH3+]CC[N@@H+](C[C@H](O)CO)C[C@@H]1C[C@@]12CCOC2 ZINC000886841277 592360748 /nfs/dbraw/zinc/36/07/48/592360748.db2.gz GWPCVISEOOHWIJ-SDDRHHMPSA-N 2 2 244.335 -0.973 20 0 BBADLP [NH3+]CC[N@H+](C[C@H](O)CO)C[C@@H]1C[C@@]12CCOC2 ZINC000886841277 592360743 /nfs/dbraw/zinc/36/07/43/592360743.db2.gz GWPCVISEOOHWIJ-SDDRHHMPSA-N 2 2 244.335 -0.973 20 0 BBADLP [NH3+]CC[N@@H+](C[C@H](O)CO)C[C@@H]1C[C@]12CCOC2 ZINC000886841278 592360554 /nfs/dbraw/zinc/36/05/54/592360554.db2.gz GWPCVISEOOHWIJ-SRVKXCTJSA-N 2 2 244.335 -0.973 20 0 BBADLP [NH3+]CC[N@H+](C[C@H](O)CO)C[C@@H]1C[C@]12CCOC2 ZINC000886841278 592360549 /nfs/dbraw/zinc/36/05/49/592360549.db2.gz GWPCVISEOOHWIJ-SRVKXCTJSA-N 2 2 244.335 -0.973 20 0 BBADLP [NH3+]CC[N@@H+](C[C@H](O)CO)C[C@H]1C[C@]12CCOC2 ZINC000886841279 592360375 /nfs/dbraw/zinc/36/03/75/592360375.db2.gz GWPCVISEOOHWIJ-WOPDTQHZSA-N 2 2 244.335 -0.973 20 0 BBADLP [NH3+]CC[N@H+](C[C@H](O)CO)C[C@H]1C[C@]12CCOC2 ZINC000886841279 592360373 /nfs/dbraw/zinc/36/03/73/592360373.db2.gz GWPCVISEOOHWIJ-WOPDTQHZSA-N 2 2 244.335 -0.973 20 0 BBADLP CC[N@@H+](CCOCC[NH3+])[C@H]1CC[NH2+]C1 ZINC000886848514 592366283 /nfs/dbraw/zinc/36/62/83/592366283.db2.gz GJEQYYILUYIOGS-JTQLQIEISA-N 3 2 201.314 -0.355 20 0 BBADLP CC[N@H+](CCOCC[NH3+])[C@H]1CC[NH2+]C1 ZINC000886848514 592366277 /nfs/dbraw/zinc/36/62/77/592366277.db2.gz GJEQYYILUYIOGS-JTQLQIEISA-N 3 2 201.314 -0.355 20 0 BBADLP CC[N@@H+](CCOCC[NH3+])[C@@H]1CC[NH2+]C1 ZINC000886848515 592365377 /nfs/dbraw/zinc/36/53/77/592365377.db2.gz GJEQYYILUYIOGS-SNVBAGLBSA-N 3 2 201.314 -0.355 20 0 BBADLP CC[N@H+](CCOCC[NH3+])[C@@H]1CC[NH2+]C1 ZINC000886848515 592365372 /nfs/dbraw/zinc/36/53/72/592365372.db2.gz GJEQYYILUYIOGS-SNVBAGLBSA-N 3 2 201.314 -0.355 20 0 BBADLP CC[N@@H+](CCCS(=O)(=O)NC)[C@H]1CC[NH2+]C1 ZINC000886852215 592368220 /nfs/dbraw/zinc/36/82/20/592368220.db2.gz AVXLEOMBNLMFGH-JTQLQIEISA-N 2 2 249.380 -0.391 20 0 BBADLP CC[N@H+](CCCS(=O)(=O)NC)[C@H]1CC[NH2+]C1 ZINC000886852215 592368215 /nfs/dbraw/zinc/36/82/15/592368215.db2.gz AVXLEOMBNLMFGH-JTQLQIEISA-N 2 2 249.380 -0.391 20 0 BBADLP CC[N@@H+](CCCS(=O)(=O)NC)[C@@H]1CC[NH2+]C1 ZINC000886852216 592367922 /nfs/dbraw/zinc/36/79/22/592367922.db2.gz AVXLEOMBNLMFGH-SNVBAGLBSA-N 2 2 249.380 -0.391 20 0 BBADLP CC[N@H+](CCCS(=O)(=O)NC)[C@@H]1CC[NH2+]C1 ZINC000886852216 592367917 /nfs/dbraw/zinc/36/79/17/592367917.db2.gz AVXLEOMBNLMFGH-SNVBAGLBSA-N 2 2 249.380 -0.391 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886859868 592371582 /nfs/dbraw/zinc/37/15/82/592371582.db2.gz IFAGCBQETPEJMY-GXSJLCMTSA-N 2 2 245.323 -0.613 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886859868 592371576 /nfs/dbraw/zinc/37/15/76/592371576.db2.gz IFAGCBQETPEJMY-GXSJLCMTSA-N 2 2 245.323 -0.613 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886859869 592372233 /nfs/dbraw/zinc/37/22/33/592372233.db2.gz IFAGCBQETPEJMY-ONGXEEELSA-N 2 2 245.323 -0.613 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886859869 592372231 /nfs/dbraw/zinc/37/22/31/592372231.db2.gz IFAGCBQETPEJMY-ONGXEEELSA-N 2 2 245.323 -0.613 20 0 BBADLP NC(=O)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872395 592377144 /nfs/dbraw/zinc/37/71/44/592377144.db2.gz RKDPUJXVBHBSHF-LLVKDONJSA-N 2 2 211.309 -0.063 20 0 BBADLP NC(=O)C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872395 592377139 /nfs/dbraw/zinc/37/71/39/592377139.db2.gz RKDPUJXVBHBSHF-LLVKDONJSA-N 2 2 211.309 -0.063 20 0 BBADLP NC(=O)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872396 592376927 /nfs/dbraw/zinc/37/69/27/592376927.db2.gz RKDPUJXVBHBSHF-NSHDSACASA-N 2 2 211.309 -0.063 20 0 BBADLP NC(=O)C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872396 592376922 /nfs/dbraw/zinc/37/69/22/592376922.db2.gz RKDPUJXVBHBSHF-NSHDSACASA-N 2 2 211.309 -0.063 20 0 BBADLP CC[C@H](C)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)C(N)=O ZINC000887055618 592432911 /nfs/dbraw/zinc/43/29/11/592432911.db2.gz CDNWOALAZCCVMX-AXFHLTTASA-N 2 2 245.367 -0.211 20 0 BBADLP CC[C@H](C)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)C(N)=O ZINC000887055618 592432908 /nfs/dbraw/zinc/43/29/08/592432908.db2.gz CDNWOALAZCCVMX-AXFHLTTASA-N 2 2 245.367 -0.211 20 0 BBADLP CC[C@H](C)[C@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)C(N)=O ZINC000887055619 592433081 /nfs/dbraw/zinc/43/30/81/592433081.db2.gz CDNWOALAZCCVMX-DCAQKATOSA-N 2 2 245.367 -0.211 20 0 BBADLP CC[C@H](C)[C@H]([NH2+]C[C@H](O)C[N@H+](C)CC)C(N)=O ZINC000887055619 592433070 /nfs/dbraw/zinc/43/30/70/592433070.db2.gz CDNWOALAZCCVMX-DCAQKATOSA-N 2 2 245.367 -0.211 20 0 BBADLP COCC[N@@H+](C)CCNC(=[NH2+])NCC(F)F ZINC000887352944 592486356 /nfs/dbraw/zinc/48/63/56/592486356.db2.gz VMIXUVNUINIXHE-UHFFFAOYSA-N 2 2 238.282 -0.056 20 0 BBADLP COCC[N@H+](C)CCNC(=[NH2+])NCC(F)F ZINC000887352944 592486354 /nfs/dbraw/zinc/48/63/54/592486354.db2.gz VMIXUVNUINIXHE-UHFFFAOYSA-N 2 2 238.282 -0.056 20 0 BBADLP CN1CCN(C(=O)C[NH+](C)C)CC[N@@H+](C)CC1 ZINC000888992780 634589465 /nfs/dbraw/zinc/58/94/65/634589465.db2.gz YVZMCLXXAYZBMC-UHFFFAOYSA-N 2 2 242.367 -0.746 20 0 BBADLP CN1CCN(C(=O)C[NH+](C)C)CC[N@H+](C)CC1 ZINC000888992780 634589460 /nfs/dbraw/zinc/58/94/60/634589460.db2.gz YVZMCLXXAYZBMC-UHFFFAOYSA-N 2 2 242.367 -0.746 20 0 BBADLP Cn1c[nH+]c(CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC000890106544 592681968 /nfs/dbraw/zinc/68/19/68/592681968.db2.gz CEMWPTMJARNLQR-SECBINFHSA-N 2 2 222.292 -0.012 20 0 BBADLP Cn1c[nH+]c(CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC000890106544 592681965 /nfs/dbraw/zinc/68/19/65/592681965.db2.gz CEMWPTMJARNLQR-SECBINFHSA-N 2 2 222.292 -0.012 20 0 BBADLP Cn1c[nH+]c(CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC000890106545 592682027 /nfs/dbraw/zinc/68/20/27/592682027.db2.gz CEMWPTMJARNLQR-VIFPVBQESA-N 2 2 222.292 -0.012 20 0 BBADLP Cn1c[nH+]c(CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC000890106545 592682024 /nfs/dbraw/zinc/68/20/24/592682024.db2.gz CEMWPTMJARNLQR-VIFPVBQESA-N 2 2 222.292 -0.012 20 0 BBADLP Cn1cc[nH+]c1CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891506681 582694226 /nfs/dbraw/zinc/69/42/26/582694226.db2.gz KACPOJULGAEJJZ-IUCAKERBSA-N 2 2 235.291 -0.324 20 0 BBADLP C[NH2+]CCCNC(=O)NCc1c[nH+]cn1C ZINC000891962436 711561945 /nfs/dbraw/zinc/56/19/45/711561945.db2.gz JABVWNWKKOEYRC-UHFFFAOYSA-N 2 2 225.296 -0.171 20 0 BBADLP Cn1c[nH+]cc1CNC(=O)NCC[NH2+]C1CC1 ZINC000891988395 582754532 /nfs/dbraw/zinc/75/45/32/582754532.db2.gz GMQPWKMKYLZSGI-UHFFFAOYSA-N 2 2 237.307 -0.029 20 0 BBADLP CC[NH2+]CCNC(=O)NCc1c[nH+]cn1C ZINC000891996879 582757340 /nfs/dbraw/zinc/75/73/40/582757340.db2.gz KDIUBEGGRIDJGK-UHFFFAOYSA-N 2 2 225.296 -0.171 20 0 BBADLP CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000892001504 582758804 /nfs/dbraw/zinc/75/88/04/582758804.db2.gz GPPNZXJCFOCBKV-MRVPVSSYSA-N 2 2 223.280 -0.087 20 0 BBADLP CN(Cc1[nH]cc[nH+]1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000892001512 582759095 /nfs/dbraw/zinc/75/90/95/582759095.db2.gz GPPNZXJCFOCBKV-QMMMGPOBSA-N 2 2 223.280 -0.087 20 0 BBADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000892004290 582759796 /nfs/dbraw/zinc/75/97/96/582759796.db2.gz DFKYJLIIBKTYPO-SECBINFHSA-N 2 2 237.307 -0.029 20 0 BBADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000892004291 582759295 /nfs/dbraw/zinc/75/92/95/582759295.db2.gz DFKYJLIIBKTYPO-VIFPVBQESA-N 2 2 237.307 -0.029 20 0 BBADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000892015987 582761473 /nfs/dbraw/zinc/76/14/73/582761473.db2.gz DTGHTHFSESIYLI-SECBINFHSA-N 2 2 237.307 -0.029 20 0 BBADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000892015988 582761601 /nfs/dbraw/zinc/76/16/01/582761601.db2.gz DTGHTHFSESIYLI-VIFPVBQESA-N 2 2 237.307 -0.029 20 0 BBADLP Cn1c[nH+]cc1CNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000892028241 582765559 /nfs/dbraw/zinc/76/55/59/582765559.db2.gz PMEWNDDZXZIFBQ-JTQLQIEISA-N 2 2 237.307 -0.043 20 0 BBADLP Cn1c[nH+]cc1CNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000892028244 582765662 /nfs/dbraw/zinc/76/56/62/582765662.db2.gz PMEWNDDZXZIFBQ-SNVBAGLBSA-N 2 2 237.307 -0.043 20 0 BBADLP Cn1c[nH+]cc1CNC(=O)NCC(C)(C)[NH3+] ZINC000892034816 582766822 /nfs/dbraw/zinc/76/68/22/582766822.db2.gz VAONDPAZLBNTTN-UHFFFAOYSA-N 2 2 225.296 -0.043 20 0 BBADLP C[C@H](C[NH3+])CNC(=O)NCc1c[nH+]cn1C ZINC000892044635 582770621 /nfs/dbraw/zinc/77/06/21/582770621.db2.gz LPKURRQNNPXBOY-MRVPVSSYSA-N 2 2 225.296 -0.186 20 0 BBADLP C[C@@H](C[NH3+])CNC(=O)NCc1c[nH+]cn1C ZINC000892044636 582770508 /nfs/dbraw/zinc/77/05/08/582770508.db2.gz LPKURRQNNPXBOY-QMMMGPOBSA-N 2 2 225.296 -0.186 20 0 BBADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000892051241 582774862 /nfs/dbraw/zinc/77/48/62/582774862.db2.gz PVTDOKYEEIKFOX-JTQLQIEISA-N 2 2 237.307 -0.043 20 0 BBADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000892051242 582775452 /nfs/dbraw/zinc/77/54/52/582775452.db2.gz PVTDOKYEEIKFOX-SNVBAGLBSA-N 2 2 237.307 -0.043 20 0 BBADLP C[C@H](CC[NH3+])NC(=O)NCc1c[nH+]cn1C ZINC000892055969 582777892 /nfs/dbraw/zinc/77/78/92/582777892.db2.gz ONLRYRHNKDSDFL-MRVPVSSYSA-N 2 2 225.296 -0.043 20 0 BBADLP C[C@@H](CC[NH3+])NC(=O)NCc1c[nH+]cn1C ZINC000892055970 582778012 /nfs/dbraw/zinc/77/80/12/582778012.db2.gz ONLRYRHNKDSDFL-QMMMGPOBSA-N 2 2 225.296 -0.043 20 0 BBADLP Cn1c[nH+]cc1CNC(=O)NCC(F)(F)C[NH3+] ZINC000892064754 582781369 /nfs/dbraw/zinc/78/13/69/582781369.db2.gz FPUATOGJTUTISV-UHFFFAOYSA-N 2 2 247.249 -0.187 20 0 BBADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000892145110 582800812 /nfs/dbraw/zinc/80/08/12/582800812.db2.gz KDXPOXRYXJLMFV-HTQZYQBOSA-N 2 2 225.296 -0.045 20 0 BBADLP C[C@@H](NC(=O)NCc1c[nH+]cn1C)[C@H](C)[NH3+] ZINC000892145111 582800859 /nfs/dbraw/zinc/80/08/59/582800859.db2.gz KDXPOXRYXJLMFV-JGVFFNPUSA-N 2 2 225.296 -0.045 20 0 BBADLP C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000892145112 582800506 /nfs/dbraw/zinc/80/05/06/582800506.db2.gz KDXPOXRYXJLMFV-SFYZADRCSA-N 2 2 225.296 -0.045 20 0 BBADLP C[C@H]([NH3+])[C@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000892145113 582800615 /nfs/dbraw/zinc/80/06/15/582800615.db2.gz KDXPOXRYXJLMFV-YUMQZZPRSA-N 2 2 225.296 -0.045 20 0 BBADLP CC[C@@H]([NH3+])CNC(=O)NCc1c[nH+]cn1C ZINC000892146453 582801089 /nfs/dbraw/zinc/80/10/89/582801089.db2.gz LCVRHXKDSMTZPU-MRVPVSSYSA-N 2 2 225.296 -0.043 20 0 BBADLP CC[C@H]([NH3+])CNC(=O)NCc1c[nH+]cn1C ZINC000892146454 582801360 /nfs/dbraw/zinc/80/13/60/582801360.db2.gz LCVRHXKDSMTZPU-QMMMGPOBSA-N 2 2 225.296 -0.043 20 0 BBADLP Cc1cc(N)nc(N2CC[N@H+]3CCOC[C@@H]3C2)[nH+]1 ZINC000893159614 711695079 /nfs/dbraw/zinc/69/50/79/711695079.db2.gz QENCSDIOCBNFNK-JTQLQIEISA-N 2 2 249.318 -0.112 20 0 BBADLP Cc1cc(N)nc(N2CC[N@@H+]3CCOC[C@@H]3C2)[nH+]1 ZINC000893159614 711695078 /nfs/dbraw/zinc/69/50/78/711695078.db2.gz QENCSDIOCBNFNK-JTQLQIEISA-N 2 2 249.318 -0.112 20 0 BBADLP Cc1cc(N)nc(N2CC[N@H+]3CCOC[C@H]3C2)[nH+]1 ZINC000893159615 711694847 /nfs/dbraw/zinc/69/48/47/711694847.db2.gz QENCSDIOCBNFNK-SNVBAGLBSA-N 2 2 249.318 -0.112 20 0 BBADLP Cc1cc(N)nc(N2CC[N@@H+]3CCOC[C@H]3C2)[nH+]1 ZINC000893159615 711694843 /nfs/dbraw/zinc/69/48/43/711694843.db2.gz QENCSDIOCBNFNK-SNVBAGLBSA-N 2 2 249.318 -0.112 20 0 BBADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)COC(C)=O ZINC000893645982 583185499 /nfs/dbraw/zinc/18/54/99/583185499.db2.gz CHWHBYHDWOMFHU-JTQLQIEISA-N 2 2 232.324 -0.158 20 0 BBADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)COC(C)=O ZINC000893645982 583185498 /nfs/dbraw/zinc/18/54/98/583185498.db2.gz CHWHBYHDWOMFHU-JTQLQIEISA-N 2 2 232.324 -0.158 20 0 BBADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)COC(C)=O ZINC000893645983 583185522 /nfs/dbraw/zinc/18/55/22/583185522.db2.gz CHWHBYHDWOMFHU-SNVBAGLBSA-N 2 2 232.324 -0.158 20 0 BBADLP CC[N@H+](CCO)CC[NH2+][C@H](C)COC(C)=O ZINC000893645983 583185519 /nfs/dbraw/zinc/18/55/19/583185519.db2.gz CHWHBYHDWOMFHU-SNVBAGLBSA-N 2 2 232.324 -0.158 20 0 BBADLP Cc1cc[nH+]c(N)c1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000894033201 583276899 /nfs/dbraw/zinc/27/68/99/583276899.db2.gz DEZCYSTYOQQEIG-AOOOYVTPSA-N 2 2 223.276 -0.490 20 0 BBADLP Cc1cc[nH+]c(N)c1C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000894033201 583276893 /nfs/dbraw/zinc/27/68/93/583276893.db2.gz DEZCYSTYOQQEIG-AOOOYVTPSA-N 2 2 223.276 -0.490 20 0 BBADLP Cc1cc[nH+]c(N)c1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000894086654 583297405 /nfs/dbraw/zinc/29/74/05/583297405.db2.gz YQYZOYOJZQOLID-AOOOYVTPSA-N 2 2 237.303 -0.100 20 0 BBADLP Cc1cc[nH+]c(N)c1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000894086654 583297403 /nfs/dbraw/zinc/29/74/03/583297403.db2.gz YQYZOYOJZQOLID-AOOOYVTPSA-N 2 2 237.303 -0.100 20 0 BBADLP Cc1cc(N)nc(N2CC([N@H+]3CC[C@@H](O)C3)C2)[nH+]1 ZINC000894348914 583432322 /nfs/dbraw/zinc/43/23/22/583432322.db2.gz HNCWWQANPSXHFS-SNVBAGLBSA-N 2 2 249.318 -0.378 20 0 BBADLP Cc1cc(N)nc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)[nH+]1 ZINC000894348914 583432320 /nfs/dbraw/zinc/43/23/20/583432320.db2.gz HNCWWQANPSXHFS-SNVBAGLBSA-N 2 2 249.318 -0.378 20 0 BBADLP CNc1cc(N2CC([N@H+]3CC[C@@H](O)C3)C2)nc[nH+]1 ZINC000894348934 583432257 /nfs/dbraw/zinc/43/22/57/583432257.db2.gz HTPLFEMNVVVQJE-SNVBAGLBSA-N 2 2 249.318 -0.227 20 0 BBADLP CNc1cc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)nc[nH+]1 ZINC000894348934 583432255 /nfs/dbraw/zinc/43/22/55/583432255.db2.gz HTPLFEMNVVVQJE-SNVBAGLBSA-N 2 2 249.318 -0.227 20 0 BBADLP C[N@H+]1CCOC[C@H]1CNc1cc[nH+]cc1CO ZINC000894762132 583518210 /nfs/dbraw/zinc/51/82/10/583518210.db2.gz ZIHYZTBBGNVDRC-LLVKDONJSA-N 2 2 237.303 -0.262 20 0 BBADLP C[N@@H+]1CCOC[C@H]1CNc1cc[nH+]cc1CO ZINC000894762132 583518208 /nfs/dbraw/zinc/51/82/08/583518208.db2.gz ZIHYZTBBGNVDRC-LLVKDONJSA-N 2 2 237.303 -0.262 20 0 BBADLP C[N@H+]1CCOC[C@@H]1CNc1cc[nH+]cc1CO ZINC000894762134 583518644 /nfs/dbraw/zinc/51/86/44/583518644.db2.gz ZIHYZTBBGNVDRC-NSHDSACASA-N 2 2 237.303 -0.262 20 0 BBADLP C[N@@H+]1CCOC[C@@H]1CNc1cc[nH+]cc1CO ZINC000894762134 583518641 /nfs/dbraw/zinc/51/86/41/583518641.db2.gz ZIHYZTBBGNVDRC-NSHDSACASA-N 2 2 237.303 -0.262 20 0 BBADLP CNc1cc(NCC[N@H+]2CC[C@@H](O)C2)nc[nH+]1 ZINC000894782653 583521490 /nfs/dbraw/zinc/52/14/90/583521490.db2.gz WKENWYPWCCTHDN-SECBINFHSA-N 2 2 237.307 -0.003 20 0 BBADLP CNc1cc(NCC[N@@H+]2CC[C@@H](O)C2)nc[nH+]1 ZINC000894782653 583521489 /nfs/dbraw/zinc/52/14/89/583521489.db2.gz WKENWYPWCCTHDN-SECBINFHSA-N 2 2 237.307 -0.003 20 0 BBADLP COC(=O)[C@@](C)(CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000894825508 583526713 /nfs/dbraw/zinc/52/67/13/583526713.db2.gz QQGDHYJMSDIQAZ-GFCCVEGCSA-N 2 2 244.335 -0.158 20 0 BBADLP COC(=O)[C@](C)(CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000894825511 583526726 /nfs/dbraw/zinc/52/67/26/583526726.db2.gz QQGDHYJMSDIQAZ-LBPRGKRZSA-N 2 2 244.335 -0.158 20 0 BBADLP CNc1cc(NCC[N@H+]2CC[C@H](O)C2)nc[nH+]1 ZINC000894833640 583528537 /nfs/dbraw/zinc/52/85/37/583528537.db2.gz WKENWYPWCCTHDN-VIFPVBQESA-N 2 2 237.307 -0.003 20 0 BBADLP CNc1cc(NCC[N@@H+]2CC[C@H](O)C2)nc[nH+]1 ZINC000894833640 583528536 /nfs/dbraw/zinc/52/85/36/583528536.db2.gz WKENWYPWCCTHDN-VIFPVBQESA-N 2 2 237.307 -0.003 20 0 BBADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2c1nc(N)[nH+]c(N)n1 ZINC000894879267 583542710 /nfs/dbraw/zinc/54/27/10/583542710.db2.gz TUMXJOUXCWQFON-KNVOCYPGSA-N 2 2 235.295 -0.681 20 0 BBADLP C[N@H+]1C[C@H]2CC[C@@H](C1)N2c1nc(N)[nH+]c(N)n1 ZINC000894879267 583542709 /nfs/dbraw/zinc/54/27/09/583542709.db2.gz TUMXJOUXCWQFON-KNVOCYPGSA-N 2 2 235.295 -0.681 20 0 BBADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H]2COCO2)n1C ZINC000894881204 583543518 /nfs/dbraw/zinc/54/35/18/583543518.db2.gz LKVBXMDJSCSPFP-JTQLQIEISA-N 2 2 240.307 -0.051 20 0 BBADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2COCO2)n1C ZINC000894881205 583543547 /nfs/dbraw/zinc/54/35/47/583543547.db2.gz LKVBXMDJSCSPFP-SNVBAGLBSA-N 2 2 240.307 -0.051 20 0 BBADLP CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1c[nH+]c[nH]1 ZINC000894881258 583543511 /nfs/dbraw/zinc/54/35/11/583543511.db2.gz UUULYDVDYPOTHK-MRVPVSSYSA-N 2 2 246.336 -0.173 20 0 BBADLP CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1c[nH+]c[nH]1 ZINC000894881259 583543616 /nfs/dbraw/zinc/54/36/16/583543616.db2.gz UUULYDVDYPOTHK-QMMMGPOBSA-N 2 2 246.336 -0.173 20 0 BBADLP c1[nH]c(C[NH2+][C@@H]2CCc3nnnn3CC2)c[nH+]1 ZINC000895037850 583570355 /nfs/dbraw/zinc/57/03/55/583570355.db2.gz UPUDEFIRIXINSF-MRVPVSSYSA-N 2 2 233.279 -0.109 20 0 BBADLP c1[nH]c(C[NH2+][C@H]2CCc3nnnn3CC2)c[nH+]1 ZINC000895037851 583570226 /nfs/dbraw/zinc/57/02/26/583570226.db2.gz UPUDEFIRIXINSF-QMMMGPOBSA-N 2 2 233.279 -0.109 20 0 BBADLP CCONC(=O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000895175797 583615436 /nfs/dbraw/zinc/61/54/36/583615436.db2.gz NFBRAAJFIFNTLW-UHFFFAOYSA-N 2 2 229.324 -0.015 20 0 BBADLP CN(C)c1cc(NCC[N@@H+](C)CCO)nc[nH+]1 ZINC000895240683 636126257 /nfs/dbraw/zinc/12/62/57/636126257.db2.gz MREODHCXUANBHT-UHFFFAOYSA-N 2 2 239.323 -0.121 20 0 BBADLP CN(C)c1cc(NCC[N@H+](C)CCO)nc[nH+]1 ZINC000895240683 636126252 /nfs/dbraw/zinc/12/62/52/636126252.db2.gz MREODHCXUANBHT-UHFFFAOYSA-N 2 2 239.323 -0.121 20 0 BBADLP Cc1cc[nH+]c(N)c1C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000895459441 583678082 /nfs/dbraw/zinc/67/80/82/583678082.db2.gz CWEFOJAWZDJLEF-MNOVXSKESA-N 2 2 237.303 -0.100 20 0 BBADLP Cc1cc[nH+]c(N)c1C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000895459441 583678079 /nfs/dbraw/zinc/67/80/79/583678079.db2.gz CWEFOJAWZDJLEF-MNOVXSKESA-N 2 2 237.303 -0.100 20 0 BBADLP C[NH+]1CCC(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000895636285 583699906 /nfs/dbraw/zinc/69/99/06/583699906.db2.gz GBEXGLPTVYDKCX-CYBMUJFWSA-N 3 2 241.379 -0.016 20 0 BBADLP C[NH+]1CCC(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000895636285 583699904 /nfs/dbraw/zinc/69/99/04/583699904.db2.gz GBEXGLPTVYDKCX-CYBMUJFWSA-N 3 2 241.379 -0.016 20 0 BBADLP C[NH+]1CCC(C[NH2+]CC[N@H+]2CC[C@H](O)C2)CC1 ZINC000895673099 583707043 /nfs/dbraw/zinc/70/70/43/583707043.db2.gz GBEXGLPTVYDKCX-ZDUSSCGKSA-N 3 2 241.379 -0.016 20 0 BBADLP C[NH+]1CCC(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000895673099 583707042 /nfs/dbraw/zinc/70/70/42/583707042.db2.gz GBEXGLPTVYDKCX-ZDUSSCGKSA-N 3 2 241.379 -0.016 20 0 BBADLP c1cn(-c2cc(N3CCOCN3)[nH+]cn2)c[nH+]1 ZINC000895923182 583747195 /nfs/dbraw/zinc/74/71/95/583747195.db2.gz NUDNDIFEQASTSK-UHFFFAOYSA-N 2 2 232.247 -0.039 20 0 BBADLP COC(=O)[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H](C)O ZINC000896041677 583766821 /nfs/dbraw/zinc/76/68/21/583766821.db2.gz OFGTWWIQCJXHRR-KOLCDFICSA-N 2 2 244.335 -0.160 20 0 BBADLP C[C@@H](NC(=O)C[NH+](C)C)[C@H]1C[N@@H+](C)CCN1C ZINC000896563921 583812565 /nfs/dbraw/zinc/81/25/65/583812565.db2.gz MSSRRKJOEFGUIF-GHMZBOCLSA-N 2 2 242.367 -0.702 20 0 BBADLP C[C@@H](NC(=O)C[NH+](C)C)[C@H]1C[N@H+](C)CCN1C ZINC000896563921 583812564 /nfs/dbraw/zinc/81/25/64/583812564.db2.gz MSSRRKJOEFGUIF-GHMZBOCLSA-N 2 2 242.367 -0.702 20 0 BBADLP C[C@@H](NC(=O)C[NH+](C)C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896563935 583812577 /nfs/dbraw/zinc/81/25/77/583812577.db2.gz MSSRRKJOEFGUIF-MNOVXSKESA-N 2 2 242.367 -0.702 20 0 BBADLP C[C@@H](NC(=O)C[NH+](C)C)[C@@H]1C[N@H+](C)CCN1C ZINC000896563935 583812575 /nfs/dbraw/zinc/81/25/75/583812575.db2.gz MSSRRKJOEFGUIF-MNOVXSKESA-N 2 2 242.367 -0.702 20 0 BBADLP C[C@H](NC(=O)C[NH+](C)C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896563938 583812528 /nfs/dbraw/zinc/81/25/28/583812528.db2.gz MSSRRKJOEFGUIF-QWRGUYRKSA-N 2 2 242.367 -0.702 20 0 BBADLP C[C@H](NC(=O)C[NH+](C)C)[C@@H]1C[N@H+](C)CCN1C ZINC000896563938 583812527 /nfs/dbraw/zinc/81/25/27/583812527.db2.gz MSSRRKJOEFGUIF-QWRGUYRKSA-N 2 2 242.367 -0.702 20 0 BBADLP C[C@H](NC(=O)C[NH+](C)C)[C@H]1C[N@@H+](C)CCN1C ZINC000896563939 583812670 /nfs/dbraw/zinc/81/26/70/583812670.db2.gz MSSRRKJOEFGUIF-WDEREUQCSA-N 2 2 242.367 -0.702 20 0 BBADLP C[C@H](NC(=O)C[NH+](C)C)[C@H]1C[N@H+](C)CCN1C ZINC000896563939 583812668 /nfs/dbraw/zinc/81/26/68/583812668.db2.gz MSSRRKJOEFGUIF-WDEREUQCSA-N 2 2 242.367 -0.702 20 0 BBADLP Cn1c[nH+]c(CNC(=O)NC[C@@H]2CC[N@H+]2C)c1 ZINC000896619948 583817672 /nfs/dbraw/zinc/81/76/72/583817672.db2.gz OZRYYZISIFHGMA-JTQLQIEISA-N 2 2 237.307 -0.077 20 0 BBADLP Cn1c[nH+]c(CNC(=O)NC[C@@H]2CC[N@@H+]2C)c1 ZINC000896619948 583817671 /nfs/dbraw/zinc/81/76/71/583817671.db2.gz OZRYYZISIFHGMA-JTQLQIEISA-N 2 2 237.307 -0.077 20 0 BBADLP Cn1c[nH+]c(CNC(=O)NC[C@H]2CC[N@H+]2C)c1 ZINC000896619950 583818334 /nfs/dbraw/zinc/81/83/34/583818334.db2.gz OZRYYZISIFHGMA-SNVBAGLBSA-N 2 2 237.307 -0.077 20 0 BBADLP Cn1c[nH+]c(CNC(=O)NC[C@H]2CC[N@@H+]2C)c1 ZINC000896619950 583818332 /nfs/dbraw/zinc/81/83/32/583818332.db2.gz OZRYYZISIFHGMA-SNVBAGLBSA-N 2 2 237.307 -0.077 20 0 BBADLP C[NH+]1C[C@@H]2CN(c3nc(N)nc(N)[nH+]3)C[C@]2(C)C1 ZINC000896912304 583853595 /nfs/dbraw/zinc/85/35/95/583853595.db2.gz RVJMDFXFCXTXBI-HQJQHLMTSA-N 2 2 249.322 -0.576 20 0 BBADLP CONC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000896923843 583858679 /nfs/dbraw/zinc/85/86/79/583858679.db2.gz JFTUWVYYYARJPQ-PBINXNQUSA-N 2 2 227.308 -0.121 20 0 BBADLP CONC(=O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000896925508 583858083 /nfs/dbraw/zinc/85/80/83/583858083.db2.gz XRDQMQMEXYVEGD-UHFFFAOYSA-N 2 2 215.297 -0.405 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCc1nnnn1C ZINC000898040290 584079736 /nfs/dbraw/zinc/07/97/36/584079736.db2.gz RHRJKLOCVJDHLV-NXEZZACHSA-N 2 2 238.339 -0.318 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCc1nnnn1C ZINC000898040290 584079734 /nfs/dbraw/zinc/07/97/34/584079734.db2.gz RHRJKLOCVJDHLV-NXEZZACHSA-N 2 2 238.339 -0.318 20 0 BBADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCc1nnnn1C ZINC000898040291 584079666 /nfs/dbraw/zinc/07/96/66/584079666.db2.gz RHRJKLOCVJDHLV-UWVGGRQHSA-N 2 2 238.339 -0.318 20 0 BBADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCc1nnnn1C ZINC000898040291 584079664 /nfs/dbraw/zinc/07/96/64/584079664.db2.gz RHRJKLOCVJDHLV-UWVGGRQHSA-N 2 2 238.339 -0.318 20 0 BBADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCc1nnnn1C ZINC000898040292 584080104 /nfs/dbraw/zinc/08/01/04/584080104.db2.gz RHRJKLOCVJDHLV-VHSXEESVSA-N 2 2 238.339 -0.318 20 0 BBADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCc1nnnn1C ZINC000898040292 584080102 /nfs/dbraw/zinc/08/01/02/584080102.db2.gz RHRJKLOCVJDHLV-VHSXEESVSA-N 2 2 238.339 -0.318 20 0 BBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCc1nnnn1C ZINC000898040293 584079903 /nfs/dbraw/zinc/07/99/03/584079903.db2.gz RHRJKLOCVJDHLV-ZJUUUORDSA-N 2 2 238.339 -0.318 20 0 BBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCc1nnnn1C ZINC000898040293 584079901 /nfs/dbraw/zinc/07/99/01/584079901.db2.gz RHRJKLOCVJDHLV-ZJUUUORDSA-N 2 2 238.339 -0.318 20 0 BBADLP Cn1c[nH+]c(CNC(=O)NCC[NH+]2CCC2)c1 ZINC000898626232 584148057 /nfs/dbraw/zinc/14/80/57/584148057.db2.gz CZXBALYQANRQMR-UHFFFAOYSA-N 2 2 237.307 -0.075 20 0 BBADLP Cn1c[nH+]c(CNC(=O)NCC[NH+](C)C)c1 ZINC000898627524 584147304 /nfs/dbraw/zinc/14/73/04/584147304.db2.gz MDSBKRYRYXVWQO-UHFFFAOYSA-N 2 2 225.296 -0.219 20 0 BBADLP CC(C)(C)NC(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC000899241325 584185052 /nfs/dbraw/zinc/18/50/52/584185052.db2.gz DRLBINMNWBZCGC-UHFFFAOYSA-N 2 2 228.340 -0.011 20 0 BBADLP CC(C)CNC(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC000899241531 584185005 /nfs/dbraw/zinc/18/50/05/584185005.db2.gz JTTDWVWHJOONAV-UHFFFAOYSA-N 2 2 228.340 -0.153 20 0 BBADLP C[C@H](NC(=O)N1CC[NH2+]CC[NH2+]CC1)C1CC1 ZINC000899241840 584185779 /nfs/dbraw/zinc/18/57/79/584185779.db2.gz LPIGQLBSFWSBDS-JTQLQIEISA-N 2 2 240.351 -0.011 20 0 BBADLP C[C@@H](NC(=O)N1CC[NH2+]CC[NH2+]CC1)C1CC1 ZINC000899241843 584185676 /nfs/dbraw/zinc/18/56/76/584185676.db2.gz LPIGQLBSFWSBDS-SNVBAGLBSA-N 2 2 240.351 -0.011 20 0 BBADLP [NH3+]C1(CNC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000899245337 584185983 /nfs/dbraw/zinc/18/59/83/584185983.db2.gz OOBYWNIYKQVJSJ-UHFFFAOYSA-N 2 2 242.323 -0.891 20 0 BBADLP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CC(=O)NC3=O)C[C@]2(C)C1 ZINC000899256221 584186777 /nfs/dbraw/zinc/18/67/77/584186777.db2.gz YEWLUCWJDIETAG-LNLATYFQSA-N 2 2 237.303 -0.715 20 0 BBADLP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CC(=O)NC3=O)C[C@]2(C)C1 ZINC000899256221 584186776 /nfs/dbraw/zinc/18/67/76/584186776.db2.gz YEWLUCWJDIETAG-LNLATYFQSA-N 2 2 237.303 -0.715 20 0 BBADLP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CC(=O)NC3=O)C[C@]2(C)C1 ZINC000899256221 584186775 /nfs/dbraw/zinc/18/67/75/584186775.db2.gz YEWLUCWJDIETAG-LNLATYFQSA-N 2 2 237.303 -0.715 20 0 BBADLP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CC(=O)NC3=O)C[C@]2(C)C1 ZINC000899256221 584186774 /nfs/dbraw/zinc/18/67/74/584186774.db2.gz YEWLUCWJDIETAG-LNLATYFQSA-N 2 2 237.303 -0.715 20 0 BBADLP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CC(=O)NC3=O)C[C@]2(C)C1 ZINC000899256223 584186555 /nfs/dbraw/zinc/18/65/55/584186555.db2.gz YEWLUCWJDIETAG-PTRXPTGYSA-N 2 2 237.303 -0.715 20 0 BBADLP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CC(=O)NC3=O)C[C@]2(C)C1 ZINC000899256223 584186553 /nfs/dbraw/zinc/18/65/53/584186553.db2.gz YEWLUCWJDIETAG-PTRXPTGYSA-N 2 2 237.303 -0.715 20 0 BBADLP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CC(=O)NC3=O)C[C@]2(C)C1 ZINC000899256223 584186550 /nfs/dbraw/zinc/18/65/50/584186550.db2.gz YEWLUCWJDIETAG-PTRXPTGYSA-N 2 2 237.303 -0.715 20 0 BBADLP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CC(=O)NC3=O)C[C@]2(C)C1 ZINC000899256223 584186547 /nfs/dbraw/zinc/18/65/47/584186547.db2.gz YEWLUCWJDIETAG-PTRXPTGYSA-N 2 2 237.303 -0.715 20 0 BBADLP C[N@@H+](CCO)CCNC(=O)CCn1cc[nH+]c1 ZINC000899731877 584228069 /nfs/dbraw/zinc/22/80/69/584228069.db2.gz OKMVOYMSUYBCRU-UHFFFAOYSA-N 2 2 240.307 -0.687 20 0 BBADLP C[N@H+](CCO)CCNC(=O)CCn1cc[nH+]c1 ZINC000899731877 584228068 /nfs/dbraw/zinc/22/80/68/584228068.db2.gz OKMVOYMSUYBCRU-UHFFFAOYSA-N 2 2 240.307 -0.687 20 0 BBADLP Cc1[nH]c(C(=O)NCC[N@@H+](C)CCO)c[nH+]1 ZINC000899734123 584235796 /nfs/dbraw/zinc/23/57/96/584235796.db2.gz VXJIHWWNSLXSET-UHFFFAOYSA-N 2 2 226.280 -0.628 20 0 BBADLP Cc1[nH]c(C(=O)NCC[N@H+](C)CCO)c[nH+]1 ZINC000899734123 584235795 /nfs/dbraw/zinc/23/57/95/584235795.db2.gz VXJIHWWNSLXSET-UHFFFAOYSA-N 2 2 226.280 -0.628 20 0 BBADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC[NH+](C)CC1 ZINC000899904168 584250871 /nfs/dbraw/zinc/25/08/71/584250871.db2.gz FSFUISHMSMBANV-CMPLNLGQSA-N 2 2 241.335 -0.785 20 0 BBADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC[NH+](C)CC1 ZINC000899904168 584250869 /nfs/dbraw/zinc/25/08/69/584250869.db2.gz FSFUISHMSMBANV-CMPLNLGQSA-N 2 2 241.335 -0.785 20 0 BBADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C)CC1 ZINC000899904169 584250826 /nfs/dbraw/zinc/25/08/26/584250826.db2.gz FSFUISHMSMBANV-JQWIXIFHSA-N 2 2 241.335 -0.785 20 0 BBADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C)CC1 ZINC000899904169 584250824 /nfs/dbraw/zinc/25/08/24/584250824.db2.gz FSFUISHMSMBANV-JQWIXIFHSA-N 2 2 241.335 -0.785 20 0 BBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C)CC1 ZINC000899904170 584250923 /nfs/dbraw/zinc/25/09/23/584250923.db2.gz FSFUISHMSMBANV-PWSUYJOCSA-N 2 2 241.335 -0.785 20 0 BBADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C)CC1 ZINC000899904170 584250922 /nfs/dbraw/zinc/25/09/22/584250922.db2.gz FSFUISHMSMBANV-PWSUYJOCSA-N 2 2 241.335 -0.785 20 0 BBADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[NH+](C)CC1 ZINC000899904171 584250952 /nfs/dbraw/zinc/25/09/52/584250952.db2.gz FSFUISHMSMBANV-ZYHUDNBSSA-N 2 2 241.335 -0.785 20 0 BBADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[NH+](C)CC1 ZINC000899904171 584250951 /nfs/dbraw/zinc/25/09/51/584250951.db2.gz FSFUISHMSMBANV-ZYHUDNBSSA-N 2 2 241.335 -0.785 20 0 BBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[NH+](CCO)CC1 ZINC000900147058 584278356 /nfs/dbraw/zinc/27/83/56/584278356.db2.gz HUFPGPTUUUIPKE-UHFFFAOYSA-N 2 2 238.291 -0.911 20 0 BBADLP CC(F)(F)C(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC000900474469 584317380 /nfs/dbraw/zinc/31/73/80/584317380.db2.gz LSRYYDIOTMPQPK-UHFFFAOYSA-N 2 2 221.251 -0.337 20 0 BBADLP COCC[N@@H+](C)CCNC(=O)Cc1c[nH+]c[nH]1 ZINC000900517099 584320638 /nfs/dbraw/zinc/32/06/38/584320638.db2.gz FVLCJSYCZUDWAB-UHFFFAOYSA-N 2 2 240.307 -0.353 20 0 BBADLP COCC[N@H+](C)CCNC(=O)Cc1c[nH+]c[nH]1 ZINC000900517099 584320636 /nfs/dbraw/zinc/32/06/36/584320636.db2.gz FVLCJSYCZUDWAB-UHFFFAOYSA-N 2 2 240.307 -0.353 20 0 BBADLP COCC[N@@H+](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900517099 584320634 /nfs/dbraw/zinc/32/06/34/584320634.db2.gz FVLCJSYCZUDWAB-UHFFFAOYSA-N 2 2 240.307 -0.353 20 0 BBADLP COCC[N@H+](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900517099 584320631 /nfs/dbraw/zinc/32/06/31/584320631.db2.gz FVLCJSYCZUDWAB-UHFFFAOYSA-N 2 2 240.307 -0.353 20 0 BBADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1[nH]cc[nH+]1 ZINC000900666758 584337984 /nfs/dbraw/zinc/33/79/84/584337984.db2.gz XJWHBZYBLMWDOG-GZMMTYOYSA-N 2 2 238.291 -0.519 20 0 BBADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1[nH]cc[nH+]1 ZINC000900666758 584337983 /nfs/dbraw/zinc/33/79/83/584337983.db2.gz XJWHBZYBLMWDOG-GZMMTYOYSA-N 2 2 238.291 -0.519 20 0 BBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1[nH]cc[nH+]1 ZINC000900666759 584337692 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C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1c[nH]c[nH+]1 ZINC000900781989 584351202 /nfs/dbraw/zinc/35/12/02/584351202.db2.gz SXXPLHBINUDZSC-GXSJLCMTSA-N 2 2 238.291 -0.519 20 0 BBADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1c[nH]c[nH+]1 ZINC000900781989 584351201 /nfs/dbraw/zinc/35/12/01/584351201.db2.gz SXXPLHBINUDZSC-GXSJLCMTSA-N 2 2 238.291 -0.519 20 0 BBADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1c[nH+]c[nH]1 ZINC000900781989 584351200 /nfs/dbraw/zinc/35/12/00/584351200.db2.gz SXXPLHBINUDZSC-GXSJLCMTSA-N 2 2 238.291 -0.519 20 0 BBADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1c[nH+]c[nH]1 ZINC000900781989 584351199 /nfs/dbraw/zinc/35/11/99/584351199.db2.gz SXXPLHBINUDZSC-GXSJLCMTSA-N 2 2 238.291 -0.519 20 0 BBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1c[nH]c[nH+]1 ZINC000900781990 584351220 /nfs/dbraw/zinc/35/12/20/584351220.db2.gz SXXPLHBINUDZSC-KOLCDFICSA-N 2 2 238.291 -0.519 20 0 BBADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1c[nH]c[nH+]1 ZINC000900781990 584351219 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ZINC000903454866 584773116 /nfs/dbraw/zinc/77/31/16/584773116.db2.gz LULPPAXEUOWYSA-OUAUKWLOSA-N 2 2 242.319 -0.012 20 0 BBADLP COC(=O)[C@H]1COCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454866 584773115 /nfs/dbraw/zinc/77/31/15/584773115.db2.gz LULPPAXEUOWYSA-OUAUKWLOSA-N 2 2 242.319 -0.012 20 0 BBADLP COC(=O)[C@@H]1COCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454867 584773136 /nfs/dbraw/zinc/77/31/36/584773136.db2.gz LULPPAXEUOWYSA-VWYCJHECSA-N 2 2 242.319 -0.012 20 0 BBADLP COC(=O)[C@@H]1COCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454867 584773134 /nfs/dbraw/zinc/77/31/34/584773134.db2.gz LULPPAXEUOWYSA-VWYCJHECSA-N 2 2 242.319 -0.012 20 0 BBADLP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCN3C(=O)N=NC3C2)C1 ZINC000903454910 584773392 /nfs/dbraw/zinc/77/33/92/584773392.db2.gz NOJNSORYMVMYLX-DTWKUNHWSA-N 2 2 237.307 -0.073 20 0 BBADLP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCN3C(=O)N=NC3C2)C1 ZINC000903454910 584773391 /nfs/dbraw/zinc/77/33/91/584773391.db2.gz NOJNSORYMVMYLX-DTWKUNHWSA-N 2 2 237.307 -0.073 20 0 BBADLP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCn3c(n[nH]c3=O)C2)C1 ZINC000903454910 584773390 /nfs/dbraw/zinc/77/33/90/584773390.db2.gz NOJNSORYMVMYLX-DTWKUNHWSA-N 2 2 237.307 -0.073 20 0 BBADLP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCn3c(n[nH]c3=O)C2)C1 ZINC000903454910 584773389 /nfs/dbraw/zinc/77/33/89/584773389.db2.gz NOJNSORYMVMYLX-DTWKUNHWSA-N 2 2 237.307 -0.073 20 0 BBADLP COC(=O)[C@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903455543 584773993 /nfs/dbraw/zinc/77/39/93/584773993.db2.gz ZJRAEAAUCRPJCO-OUAUKWLOSA-N 2 2 242.319 -0.284 20 0 BBADLP COC(=O)[C@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903455543 584773991 /nfs/dbraw/zinc/77/39/91/584773991.db2.gz ZJRAEAAUCRPJCO-OUAUKWLOSA-N 2 2 242.319 -0.284 20 0 BBADLP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903455544 584774278 /nfs/dbraw/zinc/77/42/78/584774278.db2.gz ZJRAEAAUCRPJCO-VWYCJHECSA-N 2 2 242.319 -0.284 20 0 BBADLP COC(=O)[C@@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903455544 584774277 /nfs/dbraw/zinc/77/42/77/584774277.db2.gz ZJRAEAAUCRPJCO-VWYCJHECSA-N 2 2 242.319 -0.284 20 0 BBADLP CNC(=O)[C@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903457673 584765349 /nfs/dbraw/zinc/76/53/49/584765349.db2.gz YYAPUUYPVKWOCV-OUAUKWLOSA-N 2 2 241.335 -0.711 20 0 BBADLP CNC(=O)[C@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903457673 584765348 /nfs/dbraw/zinc/76/53/48/584765348.db2.gz YYAPUUYPVKWOCV-OUAUKWLOSA-N 2 2 241.335 -0.711 20 0 BBADLP CNC(=O)[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903457686 584765546 /nfs/dbraw/zinc/76/55/46/584765546.db2.gz YYAPUUYPVKWOCV-VWYCJHECSA-N 2 2 241.335 -0.711 20 0 BBADLP CNC(=O)[C@@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903457686 584765544 /nfs/dbraw/zinc/76/55/44/584765544.db2.gz YYAPUUYPVKWOCV-VWYCJHECSA-N 2 2 241.335 -0.711 20 0 BBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000903458684 584765041 /nfs/dbraw/zinc/76/50/41/584765041.db2.gz GXHOMNZFGILTBE-GRYCIOLGSA-N 3 2 227.352 -0.109 20 0 BBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000903458684 584765038 /nfs/dbraw/zinc/76/50/38/584765038.db2.gz GXHOMNZFGILTBE-GRYCIOLGSA-N 3 2 227.352 -0.109 20 0 BBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000903458685 584765364 /nfs/dbraw/zinc/76/53/64/584765364.db2.gz GXHOMNZFGILTBE-WOPDTQHZSA-N 3 2 227.352 -0.109 20 0 BBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000903458685 584765363 /nfs/dbraw/zinc/76/53/63/584765363.db2.gz GXHOMNZFGILTBE-WOPDTQHZSA-N 3 2 227.352 -0.109 20 0 BBADLP C[NH2+]CCC[N@@H+](C)[C@@H]1CCN(OC)C1=O ZINC000903459355 584765825 /nfs/dbraw/zinc/76/58/25/584765825.db2.gz HHSHJIPJHMKBBZ-SECBINFHSA-N 2 2 215.297 -0.310 20 0 BBADLP C[NH2+]CCC[N@H+](C)[C@@H]1CCN(OC)C1=O ZINC000903459355 584765823 /nfs/dbraw/zinc/76/58/23/584765823.db2.gz HHSHJIPJHMKBBZ-SECBINFHSA-N 2 2 215.297 -0.310 20 0 BBADLP C[NH2+]CCC[N@@H+](C)[C@H]1CCN(OC)C1=O ZINC000903459356 584765690 /nfs/dbraw/zinc/76/56/90/584765690.db2.gz HHSHJIPJHMKBBZ-VIFPVBQESA-N 2 2 215.297 -0.310 20 0 BBADLP C[NH2+]CCC[N@H+](C)[C@H]1CCN(OC)C1=O ZINC000903459356 584765689 /nfs/dbraw/zinc/76/56/89/584765689.db2.gz HHSHJIPJHMKBBZ-VIFPVBQESA-N 2 2 215.297 -0.310 20 0 BBADLP CON1CC[C@@H]([N@H+]2CCCO[C@H](C[NH3+])C2)C1=O ZINC000903459510 584765981 /nfs/dbraw/zinc/76/59/81/584765981.db2.gz UVZXHEPKBPAWJO-NXEZZACHSA-N 2 2 243.307 -0.802 20 0 BBADLP CON1CC[C@@H]([N@@H+]2CCCO[C@H](C[NH3+])C2)C1=O ZINC000903459510 584765980 /nfs/dbraw/zinc/76/59/80/584765980.db2.gz UVZXHEPKBPAWJO-NXEZZACHSA-N 2 2 243.307 -0.802 20 0 BBADLP CON1CC[C@H]([N@H+]2CCCO[C@@H](C[NH3+])C2)C1=O ZINC000903459511 584765760 /nfs/dbraw/zinc/76/57/60/584765760.db2.gz UVZXHEPKBPAWJO-UWVGGRQHSA-N 2 2 243.307 -0.802 20 0 BBADLP CON1CC[C@H]([N@@H+]2CCCO[C@@H](C[NH3+])C2)C1=O ZINC000903459511 584765758 /nfs/dbraw/zinc/76/57/58/584765758.db2.gz UVZXHEPKBPAWJO-UWVGGRQHSA-N 2 2 243.307 -0.802 20 0 BBADLP CON1CC[C@@H]([N@H+]2CCCO[C@@H](C[NH3+])C2)C1=O ZINC000903459512 584765693 /nfs/dbraw/zinc/76/56/93/584765693.db2.gz UVZXHEPKBPAWJO-VHSXEESVSA-N 2 2 243.307 -0.802 20 0 BBADLP CON1CC[C@@H]([N@@H+]2CCCO[C@@H](C[NH3+])C2)C1=O ZINC000903459512 584765692 /nfs/dbraw/zinc/76/56/92/584765692.db2.gz UVZXHEPKBPAWJO-VHSXEESVSA-N 2 2 243.307 -0.802 20 0 BBADLP CON1CC[C@H]([N@H+]2CCCO[C@H](C[NH3+])C2)C1=O ZINC000903459513 584766079 /nfs/dbraw/zinc/76/60/79/584766079.db2.gz UVZXHEPKBPAWJO-ZJUUUORDSA-N 2 2 243.307 -0.802 20 0 BBADLP CON1CC[C@H]([N@@H+]2CCCO[C@H](C[NH3+])C2)C1=O ZINC000903459513 584766078 /nfs/dbraw/zinc/76/60/78/584766078.db2.gz UVZXHEPKBPAWJO-ZJUUUORDSA-N 2 2 243.307 -0.802 20 0 BBADLP CON1CC[C@H]([NH+]2CCC3(CC[NH2+]3)CC2)C1=O ZINC000903459892 584766913 /nfs/dbraw/zinc/76/69/13/584766913.db2.gz PXVABPZDIRCNPV-JTQLQIEISA-N 2 2 239.319 -0.023 20 0 BBADLP CON1CC[C@@H]([NH+]2CCC3(CC[NH2+]3)CC2)C1=O ZINC000903459893 584766507 /nfs/dbraw/zinc/76/65/07/584766507.db2.gz PXVABPZDIRCNPV-SNVBAGLBSA-N 2 2 239.319 -0.023 20 0 BBADLP COC[C@@H](C[N@@H+](CC[NH3+])C[C@H](O)CO)C(C)C ZINC000903463565 637363949 /nfs/dbraw/zinc/36/39/49/637363949.db2.gz DZCKHYVKEFFSCI-NEPJUHHUSA-N 2 2 248.367 -0.481 20 0 BBADLP COC[C@@H](C[N@H+](CC[NH3+])C[C@H](O)CO)C(C)C ZINC000903463565 637363942 /nfs/dbraw/zinc/36/39/42/637363942.db2.gz DZCKHYVKEFFSCI-NEPJUHHUSA-N 2 2 248.367 -0.481 20 0 BBADLP COC[C@H](C[N@@H+](CC[NH3+])C[C@@H](O)CO)C(C)C ZINC000903463566 637364617 /nfs/dbraw/zinc/36/46/17/637364617.db2.gz DZCKHYVKEFFSCI-NWDGAFQWSA-N 2 2 248.367 -0.481 20 0 BBADLP COC[C@H](C[N@H+](CC[NH3+])C[C@@H](O)CO)C(C)C ZINC000903463566 637364610 /nfs/dbraw/zinc/36/46/10/637364610.db2.gz DZCKHYVKEFFSCI-NWDGAFQWSA-N 2 2 248.367 -0.481 20 0 BBADLP COC[C@H](C[N@@H+](CC[NH3+])C[C@H](O)CO)C(C)C ZINC000903463567 637365243 /nfs/dbraw/zinc/36/52/43/637365243.db2.gz DZCKHYVKEFFSCI-RYUDHWBXSA-N 2 2 248.367 -0.481 20 0 BBADLP COC[C@H](C[N@H+](CC[NH3+])C[C@H](O)CO)C(C)C ZINC000903463567 637365234 /nfs/dbraw/zinc/36/52/34/637365234.db2.gz DZCKHYVKEFFSCI-RYUDHWBXSA-N 2 2 248.367 -0.481 20 0 BBADLP COC[C@@H](C[N@@H+](CC[NH3+])C[C@@H](O)CO)C(C)C ZINC000903463568 637363848 /nfs/dbraw/zinc/36/38/48/637363848.db2.gz DZCKHYVKEFFSCI-VXGBXAGGSA-N 2 2 248.367 -0.481 20 0 BBADLP COC[C@@H](C[N@H+](CC[NH3+])C[C@@H](O)CO)C(C)C ZINC000903463568 637363843 /nfs/dbraw/zinc/36/38/43/637363843.db2.gz DZCKHYVKEFFSCI-VXGBXAGGSA-N 2 2 248.367 -0.481 20 0 BBADLP CC[C@@H]1C[C@H]1C[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000903463902 637365385 /nfs/dbraw/zinc/36/53/85/637365385.db2.gz RLWRWAFLKSEIKD-OUAUKWLOSA-N 2 2 216.325 -0.354 20 0 BBADLP CC[C@@H]1C[C@H]1C[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000903463902 637365381 /nfs/dbraw/zinc/36/53/81/637365381.db2.gz RLWRWAFLKSEIKD-OUAUKWLOSA-N 2 2 216.325 -0.354 20 0 BBADLP CC[C@@H]1C[C@H]1C[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000903463903 637364474 /nfs/dbraw/zinc/36/44/74/637364474.db2.gz RLWRWAFLKSEIKD-VWYCJHECSA-N 2 2 216.325 -0.354 20 0 BBADLP CC[C@@H]1C[C@H]1C[N@H+](CC[NH3+])C[C@H](O)CO ZINC000903463903 637364468 /nfs/dbraw/zinc/36/44/68/637364468.db2.gz RLWRWAFLKSEIKD-VWYCJHECSA-N 2 2 216.325 -0.354 20 0 BBADLP CON1CC[C@H]([N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000903464848 637362515 /nfs/dbraw/zinc/36/25/15/637362515.db2.gz YNACXTWZSMWYIX-JBLDHEPKSA-N 2 2 239.319 -0.038 20 0 BBADLP CON1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000903464848 637362512 /nfs/dbraw/zinc/36/25/12/637362512.db2.gz YNACXTWZSMWYIX-JBLDHEPKSA-N 2 2 239.319 -0.038 20 0 BBADLP CON1CC[C@H]([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000903464850 637363184 /nfs/dbraw/zinc/36/31/84/637363184.db2.gz YNACXTWZSMWYIX-JFGNBEQYSA-N 2 2 239.319 -0.038 20 0 BBADLP CON1CC[C@H]([N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000903464850 637363183 /nfs/dbraw/zinc/36/31/83/637363183.db2.gz YNACXTWZSMWYIX-JFGNBEQYSA-N 2 2 239.319 -0.038 20 0 BBADLP CON1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000903464851 637364496 /nfs/dbraw/zinc/36/44/96/637364496.db2.gz YNACXTWZSMWYIX-NHCYSSNCSA-N 2 2 239.319 -0.038 20 0 BBADLP CON1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000903464851 637364491 /nfs/dbraw/zinc/36/44/91/637364491.db2.gz YNACXTWZSMWYIX-NHCYSSNCSA-N 2 2 239.319 -0.038 20 0 BBADLP CON1CC[C@H]([N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000903464853 637365028 /nfs/dbraw/zinc/36/50/28/637365028.db2.gz YNACXTWZSMWYIX-SCVCMEIPSA-N 2 2 239.319 -0.038 20 0 BBADLP CON1CC[C@H]([N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000903464853 637365025 /nfs/dbraw/zinc/36/50/25/637365025.db2.gz YNACXTWZSMWYIX-SCVCMEIPSA-N 2 2 239.319 -0.038 20 0 BBADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C(=O)NC(N)=O ZINC000903466012 584779804 /nfs/dbraw/zinc/77/98/04/584779804.db2.gz PAGKFYFFIZOJEZ-HTQZYQBOSA-N 2 2 240.307 -0.556 20 0 BBADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C(=O)NC(N)=O ZINC000903466013 584780357 /nfs/dbraw/zinc/78/03/57/584780357.db2.gz PAGKFYFFIZOJEZ-JGVFFNPUSA-N 2 2 240.307 -0.556 20 0 BBADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C(=O)NC(N)=O ZINC000903466014 584780318 /nfs/dbraw/zinc/78/03/18/584780318.db2.gz PAGKFYFFIZOJEZ-SFYZADRCSA-N 2 2 240.307 -0.556 20 0 BBADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C(=O)NC(N)=O ZINC000903466015 584780042 /nfs/dbraw/zinc/78/00/42/584780042.db2.gz PAGKFYFFIZOJEZ-YUMQZZPRSA-N 2 2 240.307 -0.556 20 0 BBADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903466194 584780243 /nfs/dbraw/zinc/78/02/43/584780243.db2.gz ROZGDLXFBDDHPR-MRVPVSSYSA-N 2 2 240.307 -0.684 20 0 BBADLP CNC(=O)NC(=O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903466195 584780203 /nfs/dbraw/zinc/78/02/03/584780203.db2.gz ROZGDLXFBDDHPR-QMMMGPOBSA-N 2 2 240.307 -0.684 20 0 BBADLP NC(=O)NC(=O)CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903469626 584774851 /nfs/dbraw/zinc/77/48/51/584774851.db2.gz WCBLAHYJCLAQAI-MRVPVSSYSA-N 2 2 240.307 -0.554 20 0 BBADLP NC(=O)NC(=O)CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903469627 584774865 /nfs/dbraw/zinc/77/48/65/584774865.db2.gz WCBLAHYJCLAQAI-QMMMGPOBSA-N 2 2 240.307 -0.554 20 0 BBADLP NC(=O)NC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903470096 584774552 /nfs/dbraw/zinc/77/45/52/584774552.db2.gz FRGAPAMSMQCRQW-SSDOTTSWSA-N 2 2 226.280 -0.945 20 0 BBADLP NC(=O)NC(=O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903470097 584774962 /nfs/dbraw/zinc/77/49/62/584774962.db2.gz FRGAPAMSMQCRQW-ZETCQYMHSA-N 2 2 226.280 -0.945 20 0 BBADLP [NH3+]CCOCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903470317 584774497 /nfs/dbraw/zinc/77/44/97/584774497.db2.gz KUBRBNJUIRANMW-JTQLQIEISA-N 3 2 213.325 -0.164 20 0 BBADLP [NH3+]CCOCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903470318 584774808 /nfs/dbraw/zinc/77/48/08/584774808.db2.gz KUBRBNJUIRANMW-SNVBAGLBSA-N 3 2 213.325 -0.164 20 0 BBADLP CN(C)C(=O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903470352 584774986 /nfs/dbraw/zinc/77/49/86/584774986.db2.gz LRDHVALPIOLBJA-SECBINFHSA-N 2 2 211.309 -0.051 20 0 BBADLP CN(C)C(=O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903470353 584774639 /nfs/dbraw/zinc/77/46/39/584774639.db2.gz LRDHVALPIOLBJA-VIFPVBQESA-N 2 2 211.309 -0.051 20 0 BBADLP Cn1nnnc1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903471028 584775543 /nfs/dbraw/zinc/77/55/43/584775543.db2.gz GVDPSSNJGNWIGS-SECBINFHSA-N 2 2 236.323 -0.373 20 0 BBADLP Cn1nnnc1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903471051 584775608 /nfs/dbraw/zinc/77/56/08/584775608.db2.gz GVDPSSNJGNWIGS-VIFPVBQESA-N 2 2 236.323 -0.373 20 0 BBADLP c1nnnn1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903471460 584775586 /nfs/dbraw/zinc/77/55/86/584775586.db2.gz JJZGMHFDKXLOLY-SECBINFHSA-N 2 2 222.296 -0.453 20 0 BBADLP c1nnnn1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903471461 584775360 /nfs/dbraw/zinc/77/53/60/584775360.db2.gz JJZGMHFDKXLOLY-VIFPVBQESA-N 2 2 222.296 -0.453 20 0 BBADLP CCNC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903471496 584775336 /nfs/dbraw/zinc/77/53/36/584775336.db2.gz SNSWVPJILAMHTO-SECBINFHSA-N 2 2 211.309 -0.003 20 0 BBADLP CCNC(=O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903471498 584775525 /nfs/dbraw/zinc/77/55/25/584775525.db2.gz SNSWVPJILAMHTO-VIFPVBQESA-N 2 2 211.309 -0.003 20 0 BBADLP C(CN1CC[NH2+]CC1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903471574 584775715 /nfs/dbraw/zinc/77/57/15/584775715.db2.gz UEGMIESTTCNBMW-GFCCVEGCSA-N 3 2 238.379 -0.234 20 0 BBADLP C(CN1CC[NH2+]CC1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903471575 584775424 /nfs/dbraw/zinc/77/54/24/584775424.db2.gz UEGMIESTTCNBMW-LBPRGKRZSA-N 3 2 238.379 -0.234 20 0 BBADLP O=C1NCC[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903472279 584776053 /nfs/dbraw/zinc/77/60/53/584776053.db2.gz QPYREWQKKMSEEN-BDAKNGLRSA-N 2 2 209.293 -0.251 20 0 BBADLP O=C1NCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903472280 584776089 /nfs/dbraw/zinc/77/60/89/584776089.db2.gz QPYREWQKKMSEEN-DTWKUNHWSA-N 2 2 209.293 -0.251 20 0 BBADLP O=C1NCC[C@@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903472281 584776309 /nfs/dbraw/zinc/77/63/09/584776309.db2.gz QPYREWQKKMSEEN-IUCAKERBSA-N 2 2 209.293 -0.251 20 0 BBADLP O=C1NCC[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903472282 584776249 /nfs/dbraw/zinc/77/62/49/584776249.db2.gz QPYREWQKKMSEEN-RKDXNWHRSA-N 2 2 209.293 -0.251 20 0 BBADLP CS(=O)(=O)NCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903472427 584775923 /nfs/dbraw/zinc/77/59/23/584775923.db2.gz YRKGLIROJGQFBU-SECBINFHSA-N 2 2 247.364 -0.590 20 0 BBADLP CS(=O)(=O)NCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903472429 584776282 /nfs/dbraw/zinc/77/62/82/584776282.db2.gz YRKGLIROJGQFBU-VIFPVBQESA-N 2 2 247.364 -0.590 20 0 BBADLP C[NH2+]CCOCC[N@@H+](C)C[C@H]1CCC[NH2+]1 ZINC000903473909 584775897 /nfs/dbraw/zinc/77/58/97/584775897.db2.gz BVNQAGYPOARZGR-LLVKDONJSA-N 3 2 215.341 -0.094 20 0 BBADLP C[NH2+]CCOCC[N@H+](C)C[C@H]1CCC[NH2+]1 ZINC000903473909 584775896 /nfs/dbraw/zinc/77/58/96/584775896.db2.gz BVNQAGYPOARZGR-LLVKDONJSA-N 3 2 215.341 -0.094 20 0 BBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000903474476 584776706 /nfs/dbraw/zinc/77/67/06/584776706.db2.gz NIZWDPFYBVHGLO-OUAUKWLOSA-N 2 2 241.335 -0.582 20 0 BBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000903474476 584776704 /nfs/dbraw/zinc/77/67/04/584776704.db2.gz NIZWDPFYBVHGLO-OUAUKWLOSA-N 2 2 241.335 -0.582 20 0 BBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000903474480 584776597 /nfs/dbraw/zinc/77/65/97/584776597.db2.gz NIZWDPFYBVHGLO-VWYCJHECSA-N 2 2 241.335 -0.582 20 0 BBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000903474480 584776596 /nfs/dbraw/zinc/77/65/96/584776596.db2.gz NIZWDPFYBVHGLO-VWYCJHECSA-N 2 2 241.335 -0.582 20 0 BBADLP C[N@@H+](CCOCC[NH3+])C[C@H]1CCC[NH2+]1 ZINC000903474955 584776985 /nfs/dbraw/zinc/77/69/85/584776985.db2.gz WHAZSWLDHQWDBD-SNVBAGLBSA-N 3 2 201.314 -0.355 20 0 BBADLP C[N@H+](CCOCC[NH3+])C[C@H]1CCC[NH2+]1 ZINC000903474955 584776984 /nfs/dbraw/zinc/77/69/84/584776984.db2.gz WHAZSWLDHQWDBD-SNVBAGLBSA-N 3 2 201.314 -0.355 20 0 BBADLP CN1C(=O)[C@H]2C[N@@H+](C[C@H]3CCC[NH2+]3)C[C@H]2C1=O ZINC000903476208 584777371 /nfs/dbraw/zinc/77/73/71/584777371.db2.gz QGHQXOOSCDZOAS-BBBLOLIVSA-N 2 2 237.303 -0.715 20 0 BBADLP CN1C(=O)[C@H]2C[N@H+](C[C@H]3CCC[NH2+]3)C[C@H]2C1=O ZINC000903476208 584777370 /nfs/dbraw/zinc/77/73/70/584777370.db2.gz QGHQXOOSCDZOAS-BBBLOLIVSA-N 2 2 237.303 -0.715 20 0 BBADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC([NH2+]CCO)CC1 ZINC000903477258 584777571 /nfs/dbraw/zinc/77/75/71/584777571.db2.gz WLIXEUYKYOKUGE-NEPJUHHUSA-N 3 2 241.379 -0.112 20 0 BBADLP c1nnnn1CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903481958 584778492 /nfs/dbraw/zinc/77/84/92/584778492.db2.gz RWICZBZHRSRSQW-JTQLQIEISA-N 2 2 236.323 -0.063 20 0 BBADLP c1nnnn1CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903481959 584778738 /nfs/dbraw/zinc/77/87/38/584778738.db2.gz RWICZBZHRSRSQW-SNVBAGLBSA-N 2 2 236.323 -0.063 20 0 BBADLP COC[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903482938 584779075 /nfs/dbraw/zinc/77/90/75/584779075.db2.gz ZIOWFRYOXNXYCL-UTLUCORTSA-N 2 2 229.324 -0.726 20 0 BBADLP COC[C@@H](C(N)=O)[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903482938 584779073 /nfs/dbraw/zinc/77/90/73/584779073.db2.gz ZIOWFRYOXNXYCL-UTLUCORTSA-N 2 2 229.324 -0.726 20 0 BBADLP NC(=O)NC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903485041 584779582 /nfs/dbraw/zinc/77/95/82/584779582.db2.gz ZAHOJJMCZWSVOX-MRVPVSSYSA-N 2 2 240.307 -0.554 20 0 BBADLP NC(=O)NC(=O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903485042 584779471 /nfs/dbraw/zinc/77/94/71/584779471.db2.gz ZAHOJJMCZWSVOX-QMMMGPOBSA-N 2 2 240.307 -0.554 20 0 BBADLP CNC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903485043 584779399 /nfs/dbraw/zinc/77/93/99/584779399.db2.gz ZAMZXVYYNQUXIT-SECBINFHSA-N 2 2 211.309 -0.003 20 0 BBADLP CNC(=O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903485044 584779328 /nfs/dbraw/zinc/77/93/28/584779328.db2.gz ZAMZXVYYNQUXIT-VIFPVBQESA-N 2 2 211.309 -0.003 20 0 BBADLP C[NH+]1CCN(C(=O)CCN2CC=CC[NH2+]2)CC1 ZINC000903489346 584780558 /nfs/dbraw/zinc/78/05/58/584780558.db2.gz NDCFYJDKXXGGEL-UHFFFAOYSA-N 2 2 238.335 -0.473 20 0 BBADLP O=C(CCN1CC=CC[NH2+]1)N1CC[NH2+]CC1 ZINC000903489722 584780689 /nfs/dbraw/zinc/78/06/89/584780689.db2.gz ZAVBPMBVHURFGZ-UHFFFAOYSA-N 2 2 224.308 -0.815 20 0 BBADLP OC[C@H]1CCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000903490864 584781163 /nfs/dbraw/zinc/78/11/63/584781163.db2.gz KMFXHFFZTWCZBQ-NXEZZACHSA-N 2 2 200.282 -0.569 20 0 BBADLP OC[C@H]1CCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000903490864 584781162 /nfs/dbraw/zinc/78/11/62/584781162.db2.gz KMFXHFFZTWCZBQ-NXEZZACHSA-N 2 2 200.282 -0.569 20 0 BBADLP OC[C@H]1CCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000903490865 584780894 /nfs/dbraw/zinc/78/08/94/584780894.db2.gz KMFXHFFZTWCZBQ-ZJUUUORDSA-N 2 2 200.282 -0.569 20 0 BBADLP OC[C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000903490865 584780893 /nfs/dbraw/zinc/78/08/93/584780893.db2.gz KMFXHFFZTWCZBQ-ZJUUUORDSA-N 2 2 200.282 -0.569 20 0 BBADLP C1=CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)[NH2+]C1 ZINC000903491142 584780938 /nfs/dbraw/zinc/78/09/38/584780938.db2.gz XIKPBZBRXLCYRI-JTQLQIEISA-N 2 2 209.293 -0.116 20 0 BBADLP C1=CCN(C[C@H]2CCC3(C[NH2+]C3)O2)[NH2+]C1 ZINC000903491143 584780966 /nfs/dbraw/zinc/78/09/66/584780966.db2.gz XIKPBZBRXLCYRI-SNVBAGLBSA-N 2 2 209.293 -0.116 20 0 BBADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC[NH3+])C2 ZINC000903493252 584781121 /nfs/dbraw/zinc/78/11/21/584781121.db2.gz QVKGQAKGNAQQDR-NGZCFLSTSA-N 3 2 227.308 -0.843 20 0 BBADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC[NH3+])C2 ZINC000903493252 584781120 /nfs/dbraw/zinc/78/11/20/584781120.db2.gz QVKGQAKGNAQQDR-NGZCFLSTSA-N 3 2 227.308 -0.843 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@H]2C[NH2+]CCO2)C[C@H]1CC[NH3+] ZINC000903499361 584780289 /nfs/dbraw/zinc/78/02/89/584780289.db2.gz RUBCLCKEMXDHKO-IJLUTSLNSA-N 3 2 227.352 -0.109 20 0 BBADLP C[C@@H]1C[N@H+](C[C@H]2C[NH2+]CCO2)C[C@H]1CC[NH3+] ZINC000903499361 584780288 /nfs/dbraw/zinc/78/02/88/584780288.db2.gz RUBCLCKEMXDHKO-IJLUTSLNSA-N 3 2 227.352 -0.109 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]CCO2)C[C@H]1CC[NH3+] ZINC000903499363 584779812 /nfs/dbraw/zinc/77/98/12/584779812.db2.gz RUBCLCKEMXDHKO-UTUOFQBUSA-N 3 2 227.352 -0.109 20 0 BBADLP C[C@@H]1C[N@H+](C[C@@H]2C[NH2+]CCO2)C[C@H]1CC[NH3+] ZINC000903499363 584779811 /nfs/dbraw/zinc/77/98/11/584779811.db2.gz RUBCLCKEMXDHKO-UTUOFQBUSA-N 3 2 227.352 -0.109 20 0 BBADLP C[NH2+]C[C@@H]1CCCC[N@H+]1CCc1nnnn1C ZINC000903526532 584781699 /nfs/dbraw/zinc/78/16/99/584781699.db2.gz KGJQLYYAJPXORW-JTQLQIEISA-N 2 2 238.339 -0.174 20 0 BBADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1CCc1nnnn1C ZINC000903526532 584781697 /nfs/dbraw/zinc/78/16/97/584781697.db2.gz KGJQLYYAJPXORW-JTQLQIEISA-N 2 2 238.339 -0.174 20 0 BBADLP CNS(=O)(=O)CCC[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903556397 584782874 /nfs/dbraw/zinc/78/28/74/584782874.db2.gz XOILXSCDTUPICK-SECBINFHSA-N 2 2 249.380 -0.405 20 0 BBADLP CNS(=O)(=O)CCC[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903556397 584782872 /nfs/dbraw/zinc/78/28/72/584782872.db2.gz XOILXSCDTUPICK-SECBINFHSA-N 2 2 249.380 -0.405 20 0 BBADLP CNS(=O)(=O)CCC[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000903556398 584782999 /nfs/dbraw/zinc/78/29/99/584782999.db2.gz XOILXSCDTUPICK-VIFPVBQESA-N 2 2 249.380 -0.405 20 0 BBADLP CNS(=O)(=O)CCC[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000903556398 584782998 /nfs/dbraw/zinc/78/29/98/584782998.db2.gz XOILXSCDTUPICK-VIFPVBQESA-N 2 2 249.380 -0.405 20 0 BBADLP CC1(C)C[N@@H+](CCOCC[NH3+])C[C@H]1[NH3+] ZINC000903558519 584782783 /nfs/dbraw/zinc/78/27/83/584782783.db2.gz NESIIQAACBQMNQ-SECBINFHSA-N 3 2 201.314 -0.369 20 0 BBADLP CC1(C)C[N@H+](CCOCC[NH3+])C[C@H]1[NH3+] ZINC000903558519 584782782 /nfs/dbraw/zinc/78/27/82/584782782.db2.gz NESIIQAACBQMNQ-SECBINFHSA-N 3 2 201.314 -0.369 20 0 BBADLP CC1(C)C[N@@H+](CCOCC[NH3+])C[C@@H]1[NH3+] ZINC000903558526 584783019 /nfs/dbraw/zinc/78/30/19/584783019.db2.gz NESIIQAACBQMNQ-VIFPVBQESA-N 3 2 201.314 -0.369 20 0 BBADLP CC1(C)C[N@H+](CCOCC[NH3+])C[C@@H]1[NH3+] ZINC000903558526 584783018 /nfs/dbraw/zinc/78/30/18/584783018.db2.gz NESIIQAACBQMNQ-VIFPVBQESA-N 3 2 201.314 -0.369 20 0 BBADLP CC1(C)C[N@@H+](CCN2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC000903558914 584782713 /nfs/dbraw/zinc/78/27/13/584782713.db2.gz UEHCIWUFTAPNSM-LLVKDONJSA-N 3 2 226.368 -0.439 20 0 BBADLP CC1(C)C[N@H+](CCN2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC000903558914 584782712 /nfs/dbraw/zinc/78/27/12/584782712.db2.gz UEHCIWUFTAPNSM-LLVKDONJSA-N 3 2 226.368 -0.439 20 0 BBADLP CC1(C)C[N@@H+](CCN2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000903558915 584782679 /nfs/dbraw/zinc/78/26/79/584782679.db2.gz UEHCIWUFTAPNSM-NSHDSACASA-N 3 2 226.368 -0.439 20 0 BBADLP CC1(C)C[N@H+](CCN2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000903558915 584782677 /nfs/dbraw/zinc/78/26/77/584782677.db2.gz UEHCIWUFTAPNSM-NSHDSACASA-N 3 2 226.368 -0.439 20 0 BBADLP CC1(C)C[N@@H+](CCCS(N)(=O)=O)C[C@H]1[NH3+] ZINC000903560099 584782157 /nfs/dbraw/zinc/78/21/57/584782157.db2.gz SSZBUUPWOBBYJF-MRVPVSSYSA-N 2 2 235.353 -0.666 20 0 BBADLP CC1(C)C[N@H+](CCCS(N)(=O)=O)C[C@H]1[NH3+] ZINC000903560099 584782155 /nfs/dbraw/zinc/78/21/55/584782155.db2.gz SSZBUUPWOBBYJF-MRVPVSSYSA-N 2 2 235.353 -0.666 20 0 BBADLP CC1(C)C[N@@H+](CCCS(N)(=O)=O)C[C@@H]1[NH3+] ZINC000903560100 584782051 /nfs/dbraw/zinc/78/20/51/584782051.db2.gz SSZBUUPWOBBYJF-QMMMGPOBSA-N 2 2 235.353 -0.666 20 0 BBADLP CC1(C)C[N@H+](CCCS(N)(=O)=O)C[C@@H]1[NH3+] ZINC000903560100 584782050 /nfs/dbraw/zinc/78/20/50/584782050.db2.gz SSZBUUPWOBBYJF-QMMMGPOBSA-N 2 2 235.353 -0.666 20 0 BBADLP C[NH2+]CC[N@@H+](CCN1CC[NH2+]CC1)C(C)C ZINC000903572728 584784203 /nfs/dbraw/zinc/78/42/03/584784203.db2.gz BIYXBAOGYDWZSU-UHFFFAOYSA-N 3 2 228.384 -0.179 20 0 BBADLP C[NH2+]CC[N@H+](CCN1CC[NH2+]CC1)C(C)C ZINC000903572728 584784201 /nfs/dbraw/zinc/78/42/01/584784201.db2.gz BIYXBAOGYDWZSU-UHFFFAOYSA-N 3 2 228.384 -0.179 20 0 BBADLP C[NH2+]CC[N@@H+](CCOCC[NH3+])C(C)C ZINC000903573305 584783961 /nfs/dbraw/zinc/78/39/61/584783961.db2.gz WZYVIEYOKQAIJO-UHFFFAOYSA-N 3 2 203.330 -0.109 20 0 BBADLP C[NH2+]CC[N@H+](CCOCC[NH3+])C(C)C ZINC000903573305 584783960 /nfs/dbraw/zinc/78/39/60/584783960.db2.gz WZYVIEYOKQAIJO-UHFFFAOYSA-N 3 2 203.330 -0.109 20 0 BBADLP C[NH2+]CC[N@@H+](CCc1nnnn1C)C(C)C ZINC000903575210 584783912 /nfs/dbraw/zinc/78/39/12/584783912.db2.gz IBPARFHDLNUHAK-UHFFFAOYSA-N 2 2 226.328 -0.318 20 0 BBADLP C[NH2+]CC[N@H+](CCc1nnnn1C)C(C)C ZINC000903575210 584783910 /nfs/dbraw/zinc/78/39/10/584783910.db2.gz IBPARFHDLNUHAK-UHFFFAOYSA-N 2 2 226.328 -0.318 20 0 BBADLP CC[N@@H+](CCC(N)=O)C[C@H]1C[NH2+]CCO1 ZINC000903576997 637374430 /nfs/dbraw/zinc/37/44/30/637374430.db2.gz CCXLKJYPPGEUFZ-SECBINFHSA-N 2 2 215.297 -0.828 20 0 BBADLP CC[N@H+](CCC(N)=O)C[C@H]1C[NH2+]CCO1 ZINC000903576997 637374426 /nfs/dbraw/zinc/37/44/26/637374426.db2.gz CCXLKJYPPGEUFZ-SECBINFHSA-N 2 2 215.297 -0.828 20 0 BBADLP CC[N@@H+](CCC(N)=O)C[C@@H]1C[NH2+]CCO1 ZINC000903576998 637373951 /nfs/dbraw/zinc/37/39/51/637373951.db2.gz CCXLKJYPPGEUFZ-VIFPVBQESA-N 2 2 215.297 -0.828 20 0 BBADLP CC[N@H+](CCC(N)=O)C[C@@H]1C[NH2+]CCO1 ZINC000903576998 637373947 /nfs/dbraw/zinc/37/39/47/637373947.db2.gz CCXLKJYPPGEUFZ-VIFPVBQESA-N 2 2 215.297 -0.828 20 0 BBADLP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903713222 584793833 /nfs/dbraw/zinc/79/38/33/584793833.db2.gz ITCNHWPHDODTDF-GRYCIOLGSA-N 3 2 225.336 -0.212 20 0 BBADLP [NH3+][C@@H]1CC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903713222 584793832 /nfs/dbraw/zinc/79/38/32/584793832.db2.gz ITCNHWPHDODTDF-GRYCIOLGSA-N 3 2 225.336 -0.212 20 0 BBADLP [NH3+][C@@H]1CC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903713223 584793344 /nfs/dbraw/zinc/79/33/44/584793344.db2.gz ITCNHWPHDODTDF-IJLUTSLNSA-N 3 2 225.336 -0.212 20 0 BBADLP [NH3+][C@@H]1CC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903713223 584793343 /nfs/dbraw/zinc/79/33/43/584793343.db2.gz ITCNHWPHDODTDF-IJLUTSLNSA-N 3 2 225.336 -0.212 20 0 BBADLP [NH3+][C@@H]1CC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903713224 584793588 /nfs/dbraw/zinc/79/35/88/584793588.db2.gz ITCNHWPHDODTDF-UTUOFQBUSA-N 3 2 225.336 -0.212 20 0 BBADLP [NH3+][C@@H]1CC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903713224 584793587 /nfs/dbraw/zinc/79/35/87/584793587.db2.gz ITCNHWPHDODTDF-UTUOFQBUSA-N 3 2 225.336 -0.212 20 0 BBADLP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903713225 584793433 /nfs/dbraw/zinc/79/34/33/584793433.db2.gz ITCNHWPHDODTDF-WOPDTQHZSA-N 3 2 225.336 -0.212 20 0 BBADLP [NH3+][C@@H]1CC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903713225 584793432 /nfs/dbraw/zinc/79/34/32/584793432.db2.gz ITCNHWPHDODTDF-WOPDTQHZSA-N 3 2 225.336 -0.212 20 0 BBADLP O=C1C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCN1 ZINC000903718301 584792625 /nfs/dbraw/zinc/79/26/25/584792625.db2.gz KKELWRIQUBDAFA-CMPLNLGQSA-N 2 2 239.319 -0.813 20 0 BBADLP O=C1C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCN1 ZINC000903718301 584792622 /nfs/dbraw/zinc/79/26/22/584792622.db2.gz KKELWRIQUBDAFA-CMPLNLGQSA-N 2 2 239.319 -0.813 20 0 BBADLP O=C1C[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCN1 ZINC000903718302 584792181 /nfs/dbraw/zinc/79/21/81/584792181.db2.gz KKELWRIQUBDAFA-JQWIXIFHSA-N 2 2 239.319 -0.813 20 0 BBADLP O=C1C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCN1 ZINC000903718302 584792180 /nfs/dbraw/zinc/79/21/80/584792180.db2.gz KKELWRIQUBDAFA-JQWIXIFHSA-N 2 2 239.319 -0.813 20 0 BBADLP O=C1C[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCN1 ZINC000903718303 584792041 /nfs/dbraw/zinc/79/20/41/584792041.db2.gz KKELWRIQUBDAFA-PWSUYJOCSA-N 2 2 239.319 -0.813 20 0 BBADLP O=C1C[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCN1 ZINC000903718303 584792040 /nfs/dbraw/zinc/79/20/40/584792040.db2.gz KKELWRIQUBDAFA-PWSUYJOCSA-N 2 2 239.319 -0.813 20 0 BBADLP O=C1C[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCN1 ZINC000903718304 584792035 /nfs/dbraw/zinc/79/20/35/584792035.db2.gz KKELWRIQUBDAFA-ZYHUDNBSSA-N 2 2 239.319 -0.813 20 0 BBADLP O=C1C[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCN1 ZINC000903718304 584792034 /nfs/dbraw/zinc/79/20/34/584792034.db2.gz KKELWRIQUBDAFA-ZYHUDNBSSA-N 2 2 239.319 -0.813 20 0 BBADLP NC(=O)[C@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000903727581 584793210 /nfs/dbraw/zinc/79/32/10/584793210.db2.gz VOCBFQFCXKYBDV-GHMZBOCLSA-N 2 2 241.335 -0.438 20 0 BBADLP NC(=O)[C@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000903727581 584793209 /nfs/dbraw/zinc/79/32/09/584793209.db2.gz VOCBFQFCXKYBDV-GHMZBOCLSA-N 2 2 241.335 -0.438 20 0 BBADLP NC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000903727582 584792755 /nfs/dbraw/zinc/79/27/55/584792755.db2.gz VOCBFQFCXKYBDV-MNOVXSKESA-N 2 2 241.335 -0.438 20 0 BBADLP NC(=O)[C@@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000903727582 584792753 /nfs/dbraw/zinc/79/27/53/584792753.db2.gz VOCBFQFCXKYBDV-MNOVXSKESA-N 2 2 241.335 -0.438 20 0 BBADLP NC(=O)[C@@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)CCO1 ZINC000903727583 584792877 /nfs/dbraw/zinc/79/28/77/584792877.db2.gz VOCBFQFCXKYBDV-QWRGUYRKSA-N 2 2 241.335 -0.438 20 0 BBADLP NC(=O)[C@@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)CCO1 ZINC000903727583 584792876 /nfs/dbraw/zinc/79/28/76/584792876.db2.gz VOCBFQFCXKYBDV-QWRGUYRKSA-N 2 2 241.335 -0.438 20 0 BBADLP NC(=O)[C@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)CCO1 ZINC000903727584 584792839 /nfs/dbraw/zinc/79/28/39/584792839.db2.gz VOCBFQFCXKYBDV-WDEREUQCSA-N 2 2 241.335 -0.438 20 0 BBADLP NC(=O)[C@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)CCO1 ZINC000903727584 584792838 /nfs/dbraw/zinc/79/28/38/584792838.db2.gz VOCBFQFCXKYBDV-WDEREUQCSA-N 2 2 241.335 -0.438 20 0 BBADLP [NH3+][C@H]1CC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903740541 584796356 /nfs/dbraw/zinc/79/63/56/584796356.db2.gz ITCNHWPHDODTDF-QJPTWQEYSA-N 3 2 225.336 -0.212 20 0 BBADLP [NH3+][C@H]1CC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903740541 584796354 /nfs/dbraw/zinc/79/63/54/584796354.db2.gz ITCNHWPHDODTDF-QJPTWQEYSA-N 3 2 225.336 -0.212 20 0 BBADLP [NH3+][C@H]1CC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903740542 584795908 /nfs/dbraw/zinc/79/59/08/584795908.db2.gz ITCNHWPHDODTDF-SDDRHHMPSA-N 3 2 225.336 -0.212 20 0 BBADLP [NH3+][C@H]1CC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903740542 584795907 /nfs/dbraw/zinc/79/59/07/584795907.db2.gz ITCNHWPHDODTDF-SDDRHHMPSA-N 3 2 225.336 -0.212 20 0 BBADLP [NH3+][C@H]1CC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903740543 584795928 /nfs/dbraw/zinc/79/59/28/584795928.db2.gz ITCNHWPHDODTDF-SRVKXCTJSA-N 3 2 225.336 -0.212 20 0 BBADLP [NH3+][C@H]1CC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903740543 584795927 /nfs/dbraw/zinc/79/59/27/584795927.db2.gz ITCNHWPHDODTDF-SRVKXCTJSA-N 3 2 225.336 -0.212 20 0 BBADLP [NH3+][C@H]1CC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903740544 584796199 /nfs/dbraw/zinc/79/61/99/584796199.db2.gz ITCNHWPHDODTDF-TUAOUCFPSA-N 3 2 225.336 -0.212 20 0 BBADLP [NH3+][C@H]1CC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903740544 584796198 /nfs/dbraw/zinc/79/61/98/584796198.db2.gz ITCNHWPHDODTDF-TUAOUCFPSA-N 3 2 225.336 -0.212 20 0 BBADLP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+](CC[NH3+])CCO ZINC000903744323 584796612 /nfs/dbraw/zinc/79/66/12/584796612.db2.gz RCQMKZLFVDBXIS-VHSXEESVSA-N 2 2 230.308 -0.561 20 0 BBADLP CCOC(=O)[C@@H]1C[C@H]1C[N@H+](CC[NH3+])CCO ZINC000903744323 584796610 /nfs/dbraw/zinc/79/66/10/584796610.db2.gz RCQMKZLFVDBXIS-VHSXEESVSA-N 2 2 230.308 -0.561 20 0 BBADLP [NH3+]CC[N@@H+](CCO)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903744664 584796879 /nfs/dbraw/zinc/79/68/79/584796879.db2.gz VQHSBMNCSIWYAQ-NEPJUHHUSA-N 3 2 243.351 -0.992 20 0 BBADLP [NH3+]CC[N@H+](CCO)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903744664 584796878 /nfs/dbraw/zinc/79/68/78/584796878.db2.gz VQHSBMNCSIWYAQ-NEPJUHHUSA-N 3 2 243.351 -0.992 20 0 BBADLP [NH3+]CC[N@@H+](CCO)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903744665 584796400 /nfs/dbraw/zinc/79/64/00/584796400.db2.gz VQHSBMNCSIWYAQ-NWDGAFQWSA-N 3 2 243.351 -0.992 20 0 BBADLP [NH3+]CC[N@H+](CCO)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903744665 584796399 /nfs/dbraw/zinc/79/63/99/584796399.db2.gz VQHSBMNCSIWYAQ-NWDGAFQWSA-N 3 2 243.351 -0.992 20 0 BBADLP [NH3+]CC[N@@H+](CCO)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903744666 584796852 /nfs/dbraw/zinc/79/68/52/584796852.db2.gz VQHSBMNCSIWYAQ-RYUDHWBXSA-N 3 2 243.351 -0.992 20 0 BBADLP [NH3+]CC[N@H+](CCO)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903744666 584796851 /nfs/dbraw/zinc/79/68/51/584796851.db2.gz VQHSBMNCSIWYAQ-RYUDHWBXSA-N 3 2 243.351 -0.992 20 0 BBADLP [NH3+]CC[N@@H+](CCO)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903744667 584796525 /nfs/dbraw/zinc/79/65/25/584796525.db2.gz VQHSBMNCSIWYAQ-VXGBXAGGSA-N 3 2 243.351 -0.992 20 0 BBADLP [NH3+]CC[N@H+](CCO)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903744667 584796523 /nfs/dbraw/zinc/79/65/23/584796523.db2.gz VQHSBMNCSIWYAQ-VXGBXAGGSA-N 3 2 243.351 -0.992 20 0 BBADLP [NH3+]CC[N@@H+](CCO)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000903744742 584796886 /nfs/dbraw/zinc/79/68/86/584796886.db2.gz XWUWIKSWMDZGQV-DCAQKATOSA-N 2 2 230.308 -0.957 20 0 BBADLP [NH3+]CC[N@H+](CCO)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000903744742 584796885 /nfs/dbraw/zinc/79/68/85/584796885.db2.gz XWUWIKSWMDZGQV-DCAQKATOSA-N 2 2 230.308 -0.957 20 0 BBADLP [NH3+]CC[N@@H+](CCO)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000903744743 584796936 /nfs/dbraw/zinc/79/69/36/584796936.db2.gz XWUWIKSWMDZGQV-GARJFASQSA-N 2 2 230.308 -0.957 20 0 BBADLP [NH3+]CC[N@H+](CCO)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000903744743 584796935 /nfs/dbraw/zinc/79/69/35/584796935.db2.gz XWUWIKSWMDZGQV-GARJFASQSA-N 2 2 230.308 -0.957 20 0 BBADLP [NH3+]CC[N@@H+](CCO)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000903744844 584796845 /nfs/dbraw/zinc/79/68/45/584796845.db2.gz XWUWIKSWMDZGQV-OUAUKWLOSA-N 2 2 230.308 -0.957 20 0 BBADLP [NH3+]CC[N@H+](CCO)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000903744844 584796844 /nfs/dbraw/zinc/79/68/44/584796844.db2.gz XWUWIKSWMDZGQV-OUAUKWLOSA-N 2 2 230.308 -0.957 20 0 BBADLP [NH3+]CC[N@@H+](CCO)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000903744845 584796588 /nfs/dbraw/zinc/79/65/88/584796588.db2.gz XWUWIKSWMDZGQV-VWYCJHECSA-N 2 2 230.308 -0.957 20 0 BBADLP [NH3+]CC[N@H+](CCO)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000903744845 584796586 /nfs/dbraw/zinc/79/65/86/584796586.db2.gz XWUWIKSWMDZGQV-VWYCJHECSA-N 2 2 230.308 -0.957 20 0 BBADLP C[N@H+](Cc1cnn(CCF)c1)C[C@@H](O)C[NH3+] ZINC000903751657 584795314 /nfs/dbraw/zinc/79/53/14/584795314.db2.gz LAGZUKKXPLZVFK-JTQLQIEISA-N 2 2 230.287 -0.396 20 0 BBADLP C[N@@H+](Cc1cnn(CCF)c1)C[C@@H](O)C[NH3+] ZINC000903751657 584795313 /nfs/dbraw/zinc/79/53/13/584795313.db2.gz LAGZUKKXPLZVFK-JTQLQIEISA-N 2 2 230.287 -0.396 20 0 BBADLP C[N@H+](Cc1cnn(CCF)c1)C[C@H](O)C[NH3+] ZINC000903751658 584795438 /nfs/dbraw/zinc/79/54/38/584795438.db2.gz LAGZUKKXPLZVFK-SNVBAGLBSA-N 2 2 230.287 -0.396 20 0 BBADLP C[N@@H+](Cc1cnn(CCF)c1)C[C@H](O)C[NH3+] ZINC000903751658 584795437 /nfs/dbraw/zinc/79/54/37/584795437.db2.gz LAGZUKKXPLZVFK-SNVBAGLBSA-N 2 2 230.287 -0.396 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H]1CCCC[NH2+]C1 ZINC000903752784 584796181 /nfs/dbraw/zinc/79/61/81/584796181.db2.gz XDDBMOWBGYSVGL-GHMZBOCLSA-N 3 2 215.341 -0.373 20 0 BBADLP C[N@H+](C[C@H](O)C[NH3+])C[C@@H]1CCCC[NH2+]C1 ZINC000903752784 584796180 /nfs/dbraw/zinc/79/61/80/584796180.db2.gz XDDBMOWBGYSVGL-GHMZBOCLSA-N 3 2 215.341 -0.373 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH3+])C[C@@H]1CCCC[NH2+]C1 ZINC000903752985 584796190 /nfs/dbraw/zinc/79/61/90/584796190.db2.gz XDDBMOWBGYSVGL-MNOVXSKESA-N 3 2 215.341 -0.373 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH3+])C[C@@H]1CCCC[NH2+]C1 ZINC000903752985 584796189 /nfs/dbraw/zinc/79/61/89/584796189.db2.gz XDDBMOWBGYSVGL-MNOVXSKESA-N 3 2 215.341 -0.373 20 0 BBADLP C[N@@H+](C[C@@H](O)C[NH3+])C[C@H]1CCCC[NH2+]C1 ZINC000903752986 584796165 /nfs/dbraw/zinc/79/61/65/584796165.db2.gz XDDBMOWBGYSVGL-QWRGUYRKSA-N 3 2 215.341 -0.373 20 0 BBADLP C[N@H+](C[C@@H](O)C[NH3+])C[C@H]1CCCC[NH2+]C1 ZINC000903752986 584796164 /nfs/dbraw/zinc/79/61/64/584796164.db2.gz XDDBMOWBGYSVGL-QWRGUYRKSA-N 3 2 215.341 -0.373 20 0 BBADLP C[N@@H+](C[C@H](O)C[NH3+])C[C@H]1CCCC[NH2+]C1 ZINC000903752987 584796351 /nfs/dbraw/zinc/79/63/51/584796351.db2.gz XDDBMOWBGYSVGL-WDEREUQCSA-N 3 2 215.341 -0.373 20 0 BBADLP C[N@H+](C[C@H](O)C[NH3+])C[C@H]1CCCC[NH2+]C1 ZINC000903752987 584796349 /nfs/dbraw/zinc/79/63/49/584796349.db2.gz XDDBMOWBGYSVGL-WDEREUQCSA-N 3 2 215.341 -0.373 20 0 BBADLP C[N@@H+](CC[NH3+])C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903760407 584797354 /nfs/dbraw/zinc/79/73/54/584797354.db2.gz HFHCYQWEWRNEGH-GHMZBOCLSA-N 3 2 213.325 -0.355 20 0 BBADLP C[N@H+](CC[NH3+])C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903760407 584797353 /nfs/dbraw/zinc/79/73/53/584797353.db2.gz HFHCYQWEWRNEGH-GHMZBOCLSA-N 3 2 213.325 -0.355 20 0 BBADLP C[N@@H+](CC[NH3+])C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903760408 584797123 /nfs/dbraw/zinc/79/71/23/584797123.db2.gz HFHCYQWEWRNEGH-MNOVXSKESA-N 3 2 213.325 -0.355 20 0 BBADLP C[N@H+](CC[NH3+])C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903760408 584797122 /nfs/dbraw/zinc/79/71/22/584797122.db2.gz HFHCYQWEWRNEGH-MNOVXSKESA-N 3 2 213.325 -0.355 20 0 BBADLP C[N@@H+](CC[NH3+])C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903760409 584797167 /nfs/dbraw/zinc/79/71/67/584797167.db2.gz HFHCYQWEWRNEGH-QWRGUYRKSA-N 3 2 213.325 -0.355 20 0 BBADLP C[N@H+](CC[NH3+])C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903760409 584797166 /nfs/dbraw/zinc/79/71/66/584797166.db2.gz HFHCYQWEWRNEGH-QWRGUYRKSA-N 3 2 213.325 -0.355 20 0 BBADLP C[N@@H+](CC[NH3+])C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903760410 584797390 /nfs/dbraw/zinc/79/73/90/584797390.db2.gz HFHCYQWEWRNEGH-WDEREUQCSA-N 3 2 213.325 -0.355 20 0 BBADLP C[N@H+](CC[NH3+])C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903760410 584797389 /nfs/dbraw/zinc/79/73/89/584797389.db2.gz HFHCYQWEWRNEGH-WDEREUQCSA-N 3 2 213.325 -0.355 20 0 BBADLP CC1CC(C[N@@H+](CC[NH3+])C[C@H](O)CO)C1 ZINC000903768944 584797800 /nfs/dbraw/zinc/79/78/00/584797800.db2.gz VOOPUNQNMKMLDP-ILDUYXDCSA-N 2 2 216.325 -0.354 20 0 BBADLP CC1CC(C[N@H+](CC[NH3+])C[C@H](O)CO)C1 ZINC000903768944 584797799 /nfs/dbraw/zinc/79/77/99/584797799.db2.gz VOOPUNQNMKMLDP-ILDUYXDCSA-N 2 2 216.325 -0.354 20 0 BBADLP CC1CC(C[N@@H+](CC[NH3+])C[C@@H](O)CO)C1 ZINC000903768945 584798124 /nfs/dbraw/zinc/79/81/24/584798124.db2.gz VOOPUNQNMKMLDP-VQXHTEKXSA-N 2 2 216.325 -0.354 20 0 BBADLP CC1CC(C[N@H+](CC[NH3+])C[C@@H](O)CO)C1 ZINC000903768945 584798123 /nfs/dbraw/zinc/79/81/23/584798123.db2.gz VOOPUNQNMKMLDP-VQXHTEKXSA-N 2 2 216.325 -0.354 20 0 BBADLP COC[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903781803 584799612 /nfs/dbraw/zinc/79/96/12/584799612.db2.gz ASZVCVNCNTWMMZ-MNOVXSKESA-N 2 2 243.351 -0.192 20 0 BBADLP COC[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903781803 584799611 /nfs/dbraw/zinc/79/96/11/584799611.db2.gz ASZVCVNCNTWMMZ-MNOVXSKESA-N 2 2 243.351 -0.192 20 0 BBADLP COC[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903781804 584799677 /nfs/dbraw/zinc/79/96/77/584799677.db2.gz ASZVCVNCNTWMMZ-QWRGUYRKSA-N 2 2 243.351 -0.192 20 0 BBADLP COC[C@@H](C(N)=O)[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903781804 584799676 /nfs/dbraw/zinc/79/96/76/584799676.db2.gz ASZVCVNCNTWMMZ-QWRGUYRKSA-N 2 2 243.351 -0.192 20 0 BBADLP CNC(=O)C[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903798892 584801455 /nfs/dbraw/zinc/80/14/55/584801455.db2.gz BEUXPDJVLIXYCU-GXSJLCMTSA-N 2 2 211.309 -0.064 20 0 BBADLP CNC(=O)C[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903798892 584801454 /nfs/dbraw/zinc/80/14/54/584801454.db2.gz BEUXPDJVLIXYCU-GXSJLCMTSA-N 2 2 211.309 -0.064 20 0 BBADLP CNC(=O)C[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903798894 584801687 /nfs/dbraw/zinc/80/16/87/584801687.db2.gz BEUXPDJVLIXYCU-KOLCDFICSA-N 2 2 211.309 -0.064 20 0 BBADLP CNC(=O)C[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903798894 584801685 /nfs/dbraw/zinc/80/16/85/584801685.db2.gz BEUXPDJVLIXYCU-KOLCDFICSA-N 2 2 211.309 -0.064 20 0 BBADLP CNC(=O)C[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903799113 584801536 /nfs/dbraw/zinc/80/15/36/584801536.db2.gz BEUXPDJVLIXYCU-MWLCHTKSSA-N 2 2 211.309 -0.064 20 0 BBADLP CNC(=O)C[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903799113 584801534 /nfs/dbraw/zinc/80/15/34/584801534.db2.gz BEUXPDJVLIXYCU-MWLCHTKSSA-N 2 2 211.309 -0.064 20 0 BBADLP CNC(=O)C[N@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903799114 584801360 /nfs/dbraw/zinc/80/13/60/584801360.db2.gz BEUXPDJVLIXYCU-ONGXEEELSA-N 2 2 211.309 -0.064 20 0 BBADLP CNC(=O)C[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903799114 584801358 /nfs/dbraw/zinc/80/13/58/584801358.db2.gz BEUXPDJVLIXYCU-ONGXEEELSA-N 2 2 211.309 -0.064 20 0 BBADLP [NH3+]CC[NH+]1CCC(CN2CCNC2=O)CC1 ZINC000903824948 584804421 /nfs/dbraw/zinc/80/44/21/584804421.db2.gz VTSWNZOVDCUDIU-UHFFFAOYSA-N 2 2 226.324 -0.318 20 0 BBADLP C[NH2+]C[C@](C)(O)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000903826915 584804982 /nfs/dbraw/zinc/80/49/82/584804982.db2.gz NROQRKAZGJDCME-XQQFMLRXSA-N 3 2 241.379 -0.160 20 0 BBADLP C[NH2+]C[C@](C)(O)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000903826915 584804981 /nfs/dbraw/zinc/80/49/81/584804981.db2.gz NROQRKAZGJDCME-XQQFMLRXSA-N 3 2 241.379 -0.160 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000903826915 584804980 /nfs/dbraw/zinc/80/49/80/584804980.db2.gz NROQRKAZGJDCME-XQQFMLRXSA-N 3 2 241.379 -0.160 20 0 BBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000903826915 584804979 /nfs/dbraw/zinc/80/49/79/584804979.db2.gz NROQRKAZGJDCME-XQQFMLRXSA-N 3 2 241.379 -0.160 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000903826916 584805001 /nfs/dbraw/zinc/80/50/01/584805001.db2.gz NROQRKAZGJDCME-YNEHKIRRSA-N 3 2 241.379 -0.160 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000903826916 584805000 /nfs/dbraw/zinc/80/50/00/584805000.db2.gz NROQRKAZGJDCME-YNEHKIRRSA-N 3 2 241.379 -0.160 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000903826916 584804999 /nfs/dbraw/zinc/80/49/99/584804999.db2.gz NROQRKAZGJDCME-YNEHKIRRSA-N 3 2 241.379 -0.160 20 0 BBADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000903826916 584804998 /nfs/dbraw/zinc/80/49/98/584804998.db2.gz NROQRKAZGJDCME-YNEHKIRRSA-N 3 2 241.379 -0.160 20 0 BBADLP CC[N@@H+](CCC(=O)NC)C[C@@H]1C[NH2+]CCO1 ZINC000903827202 584805110 /nfs/dbraw/zinc/80/51/10/584805110.db2.gz QKVXCLBEXWUHNI-JTQLQIEISA-N 2 2 229.324 -0.567 20 0 BBADLP CC[N@H+](CCC(=O)NC)C[C@@H]1C[NH2+]CCO1 ZINC000903827202 584805109 /nfs/dbraw/zinc/80/51/09/584805109.db2.gz QKVXCLBEXWUHNI-JTQLQIEISA-N 2 2 229.324 -0.567 20 0 BBADLP CC[N@@H+](CCC(=O)NC)C[C@H]1C[NH2+]CCO1 ZINC000903827203 584805023 /nfs/dbraw/zinc/80/50/23/584805023.db2.gz QKVXCLBEXWUHNI-SNVBAGLBSA-N 2 2 229.324 -0.567 20 0 BBADLP CC[N@H+](CCC(=O)NC)C[C@H]1C[NH2+]CCO1 ZINC000903827203 584805022 /nfs/dbraw/zinc/80/50/22/584805022.db2.gz QKVXCLBEXWUHNI-SNVBAGLBSA-N 2 2 229.324 -0.567 20 0 BBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCOC[C@H]1CCO ZINC000903829630 584805643 /nfs/dbraw/zinc/80/56/43/584805643.db2.gz IQNKDGKKCBTSKZ-GRYCIOLGSA-N 2 2 228.336 -0.075 20 0 BBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCOC[C@H]1CCO ZINC000903829630 584805641 /nfs/dbraw/zinc/80/56/41/584805641.db2.gz IQNKDGKKCBTSKZ-GRYCIOLGSA-N 2 2 228.336 -0.075 20 0 BBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCOC[C@@H]1CCO ZINC000903829631 584805429 /nfs/dbraw/zinc/80/54/29/584805429.db2.gz IQNKDGKKCBTSKZ-WOPDTQHZSA-N 2 2 228.336 -0.075 20 0 BBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCOC[C@@H]1CCO ZINC000903829631 584805428 /nfs/dbraw/zinc/80/54/28/584805428.db2.gz IQNKDGKKCBTSKZ-WOPDTQHZSA-N 2 2 228.336 -0.075 20 0 BBADLP C[NH2+]CCC[NH2+][C@](C)(Cn1cccn1)C(N)=O ZINC000903829806 584805565 /nfs/dbraw/zinc/80/55/65/584805565.db2.gz LAFYFFSZSIAJMP-LLVKDONJSA-N 2 2 239.323 -0.674 20 0 BBADLP C[NH2+]CCC[NH2+][C@@](C)(Cn1cccn1)C(N)=O ZINC000903829807 584805550 /nfs/dbraw/zinc/80/55/50/584805550.db2.gz LAFYFFSZSIAJMP-NSHDSACASA-N 2 2 239.323 -0.674 20 0 BBADLP OCC[C@@H]1COCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000903829832 584805527 /nfs/dbraw/zinc/80/55/27/584805527.db2.gz LZBRUJWOTMKYGB-GHMZBOCLSA-N 2 2 214.309 -0.321 20 0 BBADLP OCC[C@@H]1COCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000903829832 584805526 /nfs/dbraw/zinc/80/55/26/584805526.db2.gz LZBRUJWOTMKYGB-GHMZBOCLSA-N 2 2 214.309 -0.321 20 0 BBADLP OCC[C@H]1COCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000903829833 584805731 /nfs/dbraw/zinc/80/57/31/584805731.db2.gz LZBRUJWOTMKYGB-MNOVXSKESA-N 2 2 214.309 -0.321 20 0 BBADLP OCC[C@H]1COCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000903829833 584805730 /nfs/dbraw/zinc/80/57/30/584805730.db2.gz LZBRUJWOTMKYGB-MNOVXSKESA-N 2 2 214.309 -0.321 20 0 BBADLP OCC[C@H]1COCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000903829834 584805691 /nfs/dbraw/zinc/80/56/91/584805691.db2.gz LZBRUJWOTMKYGB-QWRGUYRKSA-N 2 2 214.309 -0.321 20 0 BBADLP OCC[C@H]1COCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000903829834 584805690 /nfs/dbraw/zinc/80/56/90/584805690.db2.gz LZBRUJWOTMKYGB-QWRGUYRKSA-N 2 2 214.309 -0.321 20 0 BBADLP OCC[C@@H]1COCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000903829835 584805666 /nfs/dbraw/zinc/80/56/66/584805666.db2.gz LZBRUJWOTMKYGB-WDEREUQCSA-N 2 2 214.309 -0.321 20 0 BBADLP OCC[C@@H]1COCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000903829835 584805665 /nfs/dbraw/zinc/80/56/65/584805665.db2.gz LZBRUJWOTMKYGB-WDEREUQCSA-N 2 2 214.309 -0.321 20 0 BBADLP O[C@@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1F ZINC000903839808 584807262 /nfs/dbraw/zinc/80/72/62/584807262.db2.gz NSHXYGKSDGXKRC-GARJFASQSA-N 2 2 244.310 -0.088 20 0 BBADLP O[C@@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1F ZINC000903839808 584807261 /nfs/dbraw/zinc/80/72/61/584807261.db2.gz NSHXYGKSDGXKRC-GARJFASQSA-N 2 2 244.310 -0.088 20 0 BBADLP O[C@@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@H]1F ZINC000903839809 584807189 /nfs/dbraw/zinc/80/71/89/584807189.db2.gz NSHXYGKSDGXKRC-GMTAPVOTSA-N 2 2 244.310 -0.088 20 0 BBADLP O[C@@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@H]1F ZINC000903839809 584807188 /nfs/dbraw/zinc/80/71/88/584807188.db2.gz NSHXYGKSDGXKRC-GMTAPVOTSA-N 2 2 244.310 -0.088 20 0 BBADLP O[C@@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@H]1F ZINC000903839810 584807218 /nfs/dbraw/zinc/80/72/18/584807218.db2.gz NSHXYGKSDGXKRC-HBNTYKKESA-N 2 2 244.310 -0.088 20 0 BBADLP O[C@@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@H]1F ZINC000903839810 584807217 /nfs/dbraw/zinc/80/72/17/584807217.db2.gz NSHXYGKSDGXKRC-HBNTYKKESA-N 2 2 244.310 -0.088 20 0 BBADLP O[C@@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1F ZINC000903839811 584807366 /nfs/dbraw/zinc/80/73/66/584807366.db2.gz NSHXYGKSDGXKRC-OUAUKWLOSA-N 2 2 244.310 -0.088 20 0 BBADLP O[C@@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1F ZINC000903839811 584807365 /nfs/dbraw/zinc/80/73/65/584807365.db2.gz NSHXYGKSDGXKRC-OUAUKWLOSA-N 2 2 244.310 -0.088 20 0 BBADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1C[NH2+]CCO1)C2 ZINC000903842695 584804598 /nfs/dbraw/zinc/80/45/98/584804598.db2.gz SEQGYRKPLIJMSC-BJDJZHNGSA-N 3 2 225.336 -0.214 20 0 BBADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1C[NH2+]CCO1)C2 ZINC000903842695 584804596 /nfs/dbraw/zinc/80/45/96/584804596.db2.gz SEQGYRKPLIJMSC-BJDJZHNGSA-N 3 2 225.336 -0.214 20 0 BBADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1C[NH2+]CCO1)C2 ZINC000903842696 584804430 /nfs/dbraw/zinc/80/44/30/584804430.db2.gz SEQGYRKPLIJMSC-FIQHERPVSA-N 3 2 225.336 -0.214 20 0 BBADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1C[NH2+]CCO1)C2 ZINC000903842696 584804429 /nfs/dbraw/zinc/80/44/29/584804429.db2.gz SEQGYRKPLIJMSC-FIQHERPVSA-N 3 2 225.336 -0.214 20 0 BBADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1C[NH2+]CCO1)C2 ZINC000903842697 584804382 /nfs/dbraw/zinc/80/43/82/584804382.db2.gz SEQGYRKPLIJMSC-USZNOCQGSA-N 3 2 225.336 -0.214 20 0 BBADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1C[NH2+]CCO1)C2 ZINC000903842697 584804381 /nfs/dbraw/zinc/80/43/81/584804381.db2.gz SEQGYRKPLIJMSC-USZNOCQGSA-N 3 2 225.336 -0.214 20 0 BBADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1C[NH2+]CCO1)C2 ZINC000903842698 584804553 /nfs/dbraw/zinc/80/45/53/584804553.db2.gz SEQGYRKPLIJMSC-WHOHXGKFSA-N 3 2 225.336 -0.214 20 0 BBADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1C[NH2+]CCO1)C2 ZINC000903842698 584804552 /nfs/dbraw/zinc/80/45/52/584804552.db2.gz SEQGYRKPLIJMSC-WHOHXGKFSA-N 3 2 225.336 -0.214 20 0 BBADLP CCNC(=O)C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903853806 584808385 /nfs/dbraw/zinc/80/83/85/584808385.db2.gz GTAVZCUOBQJWIW-GXSJLCMTSA-N 2 2 211.309 -0.064 20 0 BBADLP CCNC(=O)C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903853806 584808384 /nfs/dbraw/zinc/80/83/84/584808384.db2.gz GTAVZCUOBQJWIW-GXSJLCMTSA-N 2 2 211.309 -0.064 20 0 BBADLP CCNC(=O)C[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903853807 584807910 /nfs/dbraw/zinc/80/79/10/584807910.db2.gz GTAVZCUOBQJWIW-KOLCDFICSA-N 2 2 211.309 -0.064 20 0 BBADLP CCNC(=O)C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903853807 584807908 /nfs/dbraw/zinc/80/79/08/584807908.db2.gz GTAVZCUOBQJWIW-KOLCDFICSA-N 2 2 211.309 -0.064 20 0 BBADLP CCNC(=O)C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903853808 584808226 /nfs/dbraw/zinc/80/82/26/584808226.db2.gz GTAVZCUOBQJWIW-MWLCHTKSSA-N 2 2 211.309 -0.064 20 0 BBADLP CCNC(=O)C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903853808 584808224 /nfs/dbraw/zinc/80/82/24/584808224.db2.gz GTAVZCUOBQJWIW-MWLCHTKSSA-N 2 2 211.309 -0.064 20 0 BBADLP CCNC(=O)C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903853809 584807985 /nfs/dbraw/zinc/80/79/85/584807985.db2.gz GTAVZCUOBQJWIW-ONGXEEELSA-N 2 2 211.309 -0.064 20 0 BBADLP CCNC(=O)C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903853809 584807983 /nfs/dbraw/zinc/80/79/83/584807983.db2.gz GTAVZCUOBQJWIW-ONGXEEELSA-N 2 2 211.309 -0.064 20 0 BBADLP CN(C)C(=O)C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903856623 584808554 /nfs/dbraw/zinc/80/85/54/584808554.db2.gz APDPNCTZJPJUOT-GXSJLCMTSA-N 2 2 211.309 -0.112 20 0 BBADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903856623 584808553 /nfs/dbraw/zinc/80/85/53/584808553.db2.gz APDPNCTZJPJUOT-GXSJLCMTSA-N 2 2 211.309 -0.112 20 0 BBADLP CN(C)C(=O)C[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903856624 584808583 /nfs/dbraw/zinc/80/85/83/584808583.db2.gz APDPNCTZJPJUOT-KOLCDFICSA-N 2 2 211.309 -0.112 20 0 BBADLP CN(C)C(=O)C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903856624 584808582 /nfs/dbraw/zinc/80/85/82/584808582.db2.gz APDPNCTZJPJUOT-KOLCDFICSA-N 2 2 211.309 -0.112 20 0 BBADLP CN(C)C(=O)C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903856625 584809115 /nfs/dbraw/zinc/80/91/15/584809115.db2.gz APDPNCTZJPJUOT-MWLCHTKSSA-N 2 2 211.309 -0.112 20 0 BBADLP CN(C)C(=O)C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903856625 584809114 /nfs/dbraw/zinc/80/91/14/584809114.db2.gz APDPNCTZJPJUOT-MWLCHTKSSA-N 2 2 211.309 -0.112 20 0 BBADLP CN(C)C(=O)C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903856626 584809139 /nfs/dbraw/zinc/80/91/39/584809139.db2.gz APDPNCTZJPJUOT-ONGXEEELSA-N 2 2 211.309 -0.112 20 0 BBADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903856626 584809138 /nfs/dbraw/zinc/80/91/38/584809138.db2.gz APDPNCTZJPJUOT-ONGXEEELSA-N 2 2 211.309 -0.112 20 0 BBADLP Cn1nnnc1CC[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903857523 584810379 /nfs/dbraw/zinc/81/03/79/584810379.db2.gz FFZREFLZDIRFPU-GXSJLCMTSA-N 2 2 236.323 -0.434 20 0 BBADLP Cn1nnnc1CC[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903857523 584810377 /nfs/dbraw/zinc/81/03/77/584810377.db2.gz FFZREFLZDIRFPU-GXSJLCMTSA-N 2 2 236.323 -0.434 20 0 BBADLP Cn1nnnc1CC[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903857525 584809810 /nfs/dbraw/zinc/80/98/10/584809810.db2.gz FFZREFLZDIRFPU-KOLCDFICSA-N 2 2 236.323 -0.434 20 0 BBADLP Cn1nnnc1CC[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903857525 584809809 /nfs/dbraw/zinc/80/98/09/584809809.db2.gz FFZREFLZDIRFPU-KOLCDFICSA-N 2 2 236.323 -0.434 20 0 BBADLP Cn1nnnc1CC[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903857526 584810373 /nfs/dbraw/zinc/81/03/73/584810373.db2.gz FFZREFLZDIRFPU-MWLCHTKSSA-N 2 2 236.323 -0.434 20 0 BBADLP Cn1nnnc1CC[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903857526 584810371 /nfs/dbraw/zinc/81/03/71/584810371.db2.gz FFZREFLZDIRFPU-MWLCHTKSSA-N 2 2 236.323 -0.434 20 0 BBADLP Cn1nnnc1CC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903857528 584810482 /nfs/dbraw/zinc/81/04/82/584810482.db2.gz FFZREFLZDIRFPU-ONGXEEELSA-N 2 2 236.323 -0.434 20 0 BBADLP Cn1nnnc1CC[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903857528 584810481 /nfs/dbraw/zinc/81/04/81/584810481.db2.gz FFZREFLZDIRFPU-ONGXEEELSA-N 2 2 236.323 -0.434 20 0 BBADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCn1cnnn1 ZINC000903859357 584810768 /nfs/dbraw/zinc/81/07/68/584810768.db2.gz MUGDSFCCQFZGQT-NXEZZACHSA-N 2 2 222.296 -0.514 20 0 BBADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCn1cnnn1 ZINC000903859357 584810767 /nfs/dbraw/zinc/81/07/67/584810767.db2.gz MUGDSFCCQFZGQT-NXEZZACHSA-N 2 2 222.296 -0.514 20 0 BBADLP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCn1cnnn1 ZINC000903859358 584811003 /nfs/dbraw/zinc/81/10/03/584811003.db2.gz MUGDSFCCQFZGQT-UWVGGRQHSA-N 2 2 222.296 -0.514 20 0 BBADLP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCn1cnnn1 ZINC000903859358 584811002 /nfs/dbraw/zinc/81/10/02/584811002.db2.gz MUGDSFCCQFZGQT-UWVGGRQHSA-N 2 2 222.296 -0.514 20 0 BBADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCn1cnnn1 ZINC000903859359 584811116 /nfs/dbraw/zinc/81/11/16/584811116.db2.gz MUGDSFCCQFZGQT-VHSXEESVSA-N 2 2 222.296 -0.514 20 0 BBADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCn1cnnn1 ZINC000903859359 584811115 /nfs/dbraw/zinc/81/11/15/584811115.db2.gz MUGDSFCCQFZGQT-VHSXEESVSA-N 2 2 222.296 -0.514 20 0 BBADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCn1cnnn1 ZINC000903859360 584811076 /nfs/dbraw/zinc/81/10/76/584811076.db2.gz MUGDSFCCQFZGQT-ZJUUUORDSA-N 2 2 222.296 -0.514 20 0 BBADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCn1cnnn1 ZINC000903859360 584811075 /nfs/dbraw/zinc/81/10/75/584811075.db2.gz MUGDSFCCQFZGQT-ZJUUUORDSA-N 2 2 222.296 -0.514 20 0 BBADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCN1CC[NH2+]CC1 ZINC000903861476 584811973 /nfs/dbraw/zinc/81/19/73/584811973.db2.gz XVBCKOIFMDVYRE-CHWSQXEVSA-N 3 2 238.379 -0.295 20 0 BBADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCN1CC[NH2+]CC1 ZINC000903861476 584811972 /nfs/dbraw/zinc/81/19/72/584811972.db2.gz XVBCKOIFMDVYRE-CHWSQXEVSA-N 3 2 238.379 -0.295 20 0 BBADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCN1CC[NH2+]CC1 ZINC000903861477 584812410 /nfs/dbraw/zinc/81/24/10/584812410.db2.gz XVBCKOIFMDVYRE-OLZOCXBDSA-N 3 2 238.379 -0.295 20 0 BBADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCN1CC[NH2+]CC1 ZINC000903861477 584812409 /nfs/dbraw/zinc/81/24/09/584812409.db2.gz XVBCKOIFMDVYRE-OLZOCXBDSA-N 3 2 238.379 -0.295 20 0 BBADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCN1CC[NH2+]CC1 ZINC000903861478 584812082 /nfs/dbraw/zinc/81/20/82/584812082.db2.gz XVBCKOIFMDVYRE-QWHCGFSZSA-N 3 2 238.379 -0.295 20 0 BBADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCN1CC[NH2+]CC1 ZINC000903861478 584812081 /nfs/dbraw/zinc/81/20/81/584812081.db2.gz XVBCKOIFMDVYRE-QWHCGFSZSA-N 3 2 238.379 -0.295 20 0 BBADLP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCN1CC[NH2+]CC1 ZINC000903861479 584812078 /nfs/dbraw/zinc/81/20/78/584812078.db2.gz XVBCKOIFMDVYRE-STQMWFEESA-N 3 2 238.379 -0.295 20 0 BBADLP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCN1CC[NH2+]CC1 ZINC000903861479 584812077 /nfs/dbraw/zinc/81/20/77/584812077.db2.gz XVBCKOIFMDVYRE-STQMWFEESA-N 3 2 238.379 -0.295 20 0 BBADLP NC(=O)NC(=O)CC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903863331 584813173 /nfs/dbraw/zinc/81/31/73/584813173.db2.gz BPFYFEROGIVETL-LLVKDONJSA-N 2 2 240.307 -0.601 20 0 BBADLP NC(=O)NC(=O)CC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903863331 584813171 /nfs/dbraw/zinc/81/31/71/584813171.db2.gz BPFYFEROGIVETL-LLVKDONJSA-N 2 2 240.307 -0.601 20 0 BBADLP NC(=O)NC(=O)CC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903863332 584813168 /nfs/dbraw/zinc/81/31/68/584813168.db2.gz BPFYFEROGIVETL-NSHDSACASA-N 2 2 240.307 -0.601 20 0 BBADLP NC(=O)NC(=O)CC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903863332 584813166 /nfs/dbraw/zinc/81/31/66/584813166.db2.gz BPFYFEROGIVETL-NSHDSACASA-N 2 2 240.307 -0.601 20 0 BBADLP C(C[N@H+]1CCC[C@]12CC[NH2+]C2)N1CC[NH2+]CC1 ZINC000903865042 584812775 /nfs/dbraw/zinc/81/27/75/584812775.db2.gz ADMQKRRSCDTPGR-CYBMUJFWSA-N 3 2 238.379 -0.281 20 0 BBADLP C(C[N@@H+]1CCC[C@]12CC[NH2+]C2)N1CC[NH2+]CC1 ZINC000903865042 584812774 /nfs/dbraw/zinc/81/27/74/584812774.db2.gz ADMQKRRSCDTPGR-CYBMUJFWSA-N 3 2 238.379 -0.281 20 0 BBADLP C(C[N@H+]1CCC[C@@]12CC[NH2+]C2)N1CC[NH2+]CC1 ZINC000903865055 584813496 /nfs/dbraw/zinc/81/34/96/584813496.db2.gz ADMQKRRSCDTPGR-ZDUSSCGKSA-N 3 2 238.379 -0.281 20 0 BBADLP C(C[N@@H+]1CCC[C@@]12CC[NH2+]C2)N1CC[NH2+]CC1 ZINC000903865055 584813495 /nfs/dbraw/zinc/81/34/95/584813495.db2.gz ADMQKRRSCDTPGR-ZDUSSCGKSA-N 3 2 238.379 -0.281 20 0 BBADLP [NH3+]CCOCC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903866101 637386955 /nfs/dbraw/zinc/38/69/55/637386955.db2.gz HXNOACLHVJECEZ-LLVKDONJSA-N 3 2 213.325 -0.210 20 0 BBADLP [NH3+]CCOCC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903866101 637386951 /nfs/dbraw/zinc/38/69/51/637386951.db2.gz HXNOACLHVJECEZ-LLVKDONJSA-N 3 2 213.325 -0.210 20 0 BBADLP [NH3+]CCOCC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903866104 637386010 /nfs/dbraw/zinc/38/60/10/637386010.db2.gz HXNOACLHVJECEZ-NSHDSACASA-N 3 2 213.325 -0.210 20 0 BBADLP [NH3+]CCOCC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903866104 637386008 /nfs/dbraw/zinc/38/60/08/637386008.db2.gz HXNOACLHVJECEZ-NSHDSACASA-N 3 2 213.325 -0.210 20 0 BBADLP COC[C@H](O)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869183 584814417 /nfs/dbraw/zinc/81/44/17/584814417.db2.gz DCGVHDDSDPCRGN-GHMZBOCLSA-N 2 2 214.309 -0.178 20 0 BBADLP COC[C@H](O)C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869183 584814416 /nfs/dbraw/zinc/81/44/16/584814416.db2.gz DCGVHDDSDPCRGN-GHMZBOCLSA-N 2 2 214.309 -0.178 20 0 BBADLP COC[C@H](O)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869184 584814320 /nfs/dbraw/zinc/81/43/20/584814320.db2.gz DCGVHDDSDPCRGN-MNOVXSKESA-N 2 2 214.309 -0.178 20 0 BBADLP COC[C@H](O)C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869184 584814319 /nfs/dbraw/zinc/81/43/19/584814319.db2.gz DCGVHDDSDPCRGN-MNOVXSKESA-N 2 2 214.309 -0.178 20 0 BBADLP COC[C@@H](O)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869185 584814644 /nfs/dbraw/zinc/81/46/44/584814644.db2.gz DCGVHDDSDPCRGN-QWRGUYRKSA-N 2 2 214.309 -0.178 20 0 BBADLP COC[C@@H](O)C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869185 584814643 /nfs/dbraw/zinc/81/46/43/584814643.db2.gz DCGVHDDSDPCRGN-QWRGUYRKSA-N 2 2 214.309 -0.178 20 0 BBADLP COC[C@@H](O)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869186 584814385 /nfs/dbraw/zinc/81/43/85/584814385.db2.gz DCGVHDDSDPCRGN-WDEREUQCSA-N 2 2 214.309 -0.178 20 0 BBADLP COC[C@@H](O)C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869186 584814384 /nfs/dbraw/zinc/81/43/84/584814384.db2.gz DCGVHDDSDPCRGN-WDEREUQCSA-N 2 2 214.309 -0.178 20 0 BBADLP c1nnnn1CC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869307 584814282 /nfs/dbraw/zinc/81/42/82/584814282.db2.gz GUWLBZNXJUIODB-JTQLQIEISA-N 2 2 222.296 -0.499 20 0 BBADLP c1nnnn1CC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869307 584814281 /nfs/dbraw/zinc/81/42/81/584814281.db2.gz GUWLBZNXJUIODB-JTQLQIEISA-N 2 2 222.296 -0.499 20 0 BBADLP c1nnnn1CC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869308 584814794 /nfs/dbraw/zinc/81/47/94/584814794.db2.gz GUWLBZNXJUIODB-SNVBAGLBSA-N 2 2 222.296 -0.499 20 0 BBADLP c1nnnn1CC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869308 584814792 /nfs/dbraw/zinc/81/47/92/584814792.db2.gz GUWLBZNXJUIODB-SNVBAGLBSA-N 2 2 222.296 -0.499 20 0 BBADLP Cn1nnnc1CC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903871331 584815591 /nfs/dbraw/zinc/81/55/91/584815591.db2.gz SJQAEYXRQZMOLJ-LLVKDONJSA-N 2 2 236.323 -0.420 20 0 BBADLP Cn1nnnc1CC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903871331 584815590 /nfs/dbraw/zinc/81/55/90/584815590.db2.gz SJQAEYXRQZMOLJ-LLVKDONJSA-N 2 2 236.323 -0.420 20 0 BBADLP Cn1nnnc1CC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903871333 584814978 /nfs/dbraw/zinc/81/49/78/584814978.db2.gz SJQAEYXRQZMOLJ-NSHDSACASA-N 2 2 236.323 -0.420 20 0 BBADLP Cn1nnnc1CC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903871333 584814976 /nfs/dbraw/zinc/81/49/76/584814976.db2.gz SJQAEYXRQZMOLJ-NSHDSACASA-N 2 2 236.323 -0.420 20 0 BBADLP CCOC(=O)[C@@H]1C[N@@H+](CCOCC[NH3+])CCO1 ZINC000903875255 584816456 /nfs/dbraw/zinc/81/64/56/584816456.db2.gz NMUDMQOTECWIMP-JTQLQIEISA-N 2 2 246.307 -0.774 20 0 BBADLP CCOC(=O)[C@@H]1C[N@H+](CCOCC[NH3+])CCO1 ZINC000903875255 584816455 /nfs/dbraw/zinc/81/64/55/584816455.db2.gz NMUDMQOTECWIMP-JTQLQIEISA-N 2 2 246.307 -0.774 20 0 BBADLP CCOC(=O)[C@H]1C[N@@H+](CCOCC[NH3+])CCO1 ZINC000903875256 584816419 /nfs/dbraw/zinc/81/64/19/584816419.db2.gz NMUDMQOTECWIMP-SNVBAGLBSA-N 2 2 246.307 -0.774 20 0 BBADLP CCOC(=O)[C@H]1C[N@H+](CCOCC[NH3+])CCO1 ZINC000903875256 584816418 /nfs/dbraw/zinc/81/64/18/584816418.db2.gz NMUDMQOTECWIMP-SNVBAGLBSA-N 2 2 246.307 -0.774 20 0 BBADLP COC[C@H]1C[NH2+]CCN1Cc1c[nH+]cn1C ZINC000903880464 584817427 /nfs/dbraw/zinc/81/74/27/584817427.db2.gz IZLTVPKZTUHFBZ-LLVKDONJSA-N 2 2 224.308 -0.160 20 0 BBADLP COC[C@@H]1C[NH2+]CCN1Cc1c[nH+]cn1C ZINC000903880465 584817482 /nfs/dbraw/zinc/81/74/82/584817482.db2.gz IZLTVPKZTUHFBZ-NSHDSACASA-N 2 2 224.308 -0.160 20 0 BBADLP CC[C@@H]1C(=O)NCCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000903882079 584817678 /nfs/dbraw/zinc/81/76/78/584817678.db2.gz KJJGINUUJHVKDI-GHMZBOCLSA-N 2 2 241.335 -0.425 20 0 BBADLP CC[C@@H]1C(=O)NCCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000903882079 584817677 /nfs/dbraw/zinc/81/76/77/584817677.db2.gz KJJGINUUJHVKDI-GHMZBOCLSA-N 2 2 241.335 -0.425 20 0 BBADLP CC[C@H]1C(=O)NCCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000903882080 584817785 /nfs/dbraw/zinc/81/77/85/584817785.db2.gz KJJGINUUJHVKDI-MNOVXSKESA-N 2 2 241.335 -0.425 20 0 BBADLP CC[C@H]1C(=O)NCCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000903882080 584817783 /nfs/dbraw/zinc/81/77/83/584817783.db2.gz KJJGINUUJHVKDI-MNOVXSKESA-N 2 2 241.335 -0.425 20 0 BBADLP CC[C@H]1C(=O)NCCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000903882081 584817723 /nfs/dbraw/zinc/81/77/23/584817723.db2.gz KJJGINUUJHVKDI-QWRGUYRKSA-N 2 2 241.335 -0.425 20 0 BBADLP CC[C@H]1C(=O)NCCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000903882081 584817720 /nfs/dbraw/zinc/81/77/20/584817720.db2.gz KJJGINUUJHVKDI-QWRGUYRKSA-N 2 2 241.335 -0.425 20 0 BBADLP CC[C@@H]1C(=O)NCCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000903882082 584818028 /nfs/dbraw/zinc/81/80/28/584818028.db2.gz KJJGINUUJHVKDI-WDEREUQCSA-N 2 2 241.335 -0.425 20 0 BBADLP CC[C@@H]1C(=O)NCCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000903882082 584818027 /nfs/dbraw/zinc/81/80/27/584818027.db2.gz KJJGINUUJHVKDI-WDEREUQCSA-N 2 2 241.335 -0.425 20 0 BBADLP COCC[N@@H+](CCO)C[C@H]([NH3+])CC(F)F ZINC000903890444 584813684 /nfs/dbraw/zinc/81/36/84/584813684.db2.gz CBQFOPCELJAJPL-MRVPVSSYSA-N 2 2 226.267 -0.090 20 0 BBADLP COCC[N@H+](CCO)C[C@H]([NH3+])CC(F)F ZINC000903890444 584813683 /nfs/dbraw/zinc/81/36/83/584813683.db2.gz CBQFOPCELJAJPL-MRVPVSSYSA-N 2 2 226.267 -0.090 20 0 BBADLP COCC[N@@H+](CCO)C[C@@H]([NH3+])CC(F)F ZINC000903890445 584814035 /nfs/dbraw/zinc/81/40/35/584814035.db2.gz CBQFOPCELJAJPL-QMMMGPOBSA-N 2 2 226.267 -0.090 20 0 BBADLP COCC[N@H+](CCO)C[C@@H]([NH3+])CC(F)F ZINC000903890445 584814034 /nfs/dbraw/zinc/81/40/34/584814034.db2.gz CBQFOPCELJAJPL-QMMMGPOBSA-N 2 2 226.267 -0.090 20 0 BBADLP [NH3+][C@H](CC(F)F)C[N@@H+](CCO)CCCO ZINC000903893024 584819054 /nfs/dbraw/zinc/81/90/54/584819054.db2.gz OQOAWNPTJCBUBX-MRVPVSSYSA-N 2 2 226.267 -0.354 20 0 BBADLP [NH3+][C@H](CC(F)F)C[N@H+](CCO)CCCO ZINC000903893024 584819052 /nfs/dbraw/zinc/81/90/52/584819052.db2.gz OQOAWNPTJCBUBX-MRVPVSSYSA-N 2 2 226.267 -0.354 20 0 BBADLP [NH3+][C@@H](CC(F)F)C[N@@H+](CCO)CCCO ZINC000903893025 584818988 /nfs/dbraw/zinc/81/89/88/584818988.db2.gz OQOAWNPTJCBUBX-QMMMGPOBSA-N 2 2 226.267 -0.354 20 0 BBADLP [NH3+][C@@H](CC(F)F)C[N@H+](CCO)CCCO ZINC000903893025 584818987 /nfs/dbraw/zinc/81/89/87/584818987.db2.gz OQOAWNPTJCBUBX-QMMMGPOBSA-N 2 2 226.267 -0.354 20 0 BBADLP [NH3+][C@H](CC(F)F)CN1CC[N@H+]2CCOC[C@H]2C1 ZINC000903908145 584821632 /nfs/dbraw/zinc/82/16/32/584821632.db2.gz DOYQKLHMVMSDPS-NXEZZACHSA-N 2 2 249.305 -0.015 20 0 BBADLP [NH3+][C@H](CC(F)F)CN1CC[N@@H+]2CCOC[C@H]2C1 ZINC000903908145 584821630 /nfs/dbraw/zinc/82/16/30/584821630.db2.gz DOYQKLHMVMSDPS-NXEZZACHSA-N 2 2 249.305 -0.015 20 0 BBADLP [NH3+][C@@H](CC(F)F)CN1CC[N@H+]2CCOC[C@@H]2C1 ZINC000903908146 584821646 /nfs/dbraw/zinc/82/16/46/584821646.db2.gz DOYQKLHMVMSDPS-UWVGGRQHSA-N 2 2 249.305 -0.015 20 0 BBADLP [NH3+][C@@H](CC(F)F)CN1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000903908146 584821645 /nfs/dbraw/zinc/82/16/45/584821645.db2.gz DOYQKLHMVMSDPS-UWVGGRQHSA-N 2 2 249.305 -0.015 20 0 BBADLP [NH3+][C@@H](CC(F)F)CN1CC[N@H+]2CCOC[C@H]2C1 ZINC000903908147 584822048 /nfs/dbraw/zinc/82/20/48/584822048.db2.gz DOYQKLHMVMSDPS-VHSXEESVSA-N 2 2 249.305 -0.015 20 0 BBADLP [NH3+][C@@H](CC(F)F)CN1CC[N@@H+]2CCOC[C@H]2C1 ZINC000903908147 584822047 /nfs/dbraw/zinc/82/20/47/584822047.db2.gz DOYQKLHMVMSDPS-VHSXEESVSA-N 2 2 249.305 -0.015 20 0 BBADLP [NH3+][C@H](CC(F)F)CN1CC[N@H+]2CCOC[C@@H]2C1 ZINC000903908148 584822069 /nfs/dbraw/zinc/82/20/69/584822069.db2.gz DOYQKLHMVMSDPS-ZJUUUORDSA-N 2 2 249.305 -0.015 20 0 BBADLP [NH3+][C@H](CC(F)F)CN1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000903908148 584822068 /nfs/dbraw/zinc/82/20/68/584822068.db2.gz DOYQKLHMVMSDPS-ZJUUUORDSA-N 2 2 249.305 -0.015 20 0 BBADLP C[N@@H+](CCOCCO)C[C@H]([NH3+])CC(F)F ZINC000903911088 584821766 /nfs/dbraw/zinc/82/17/66/584821766.db2.gz WNNNKQYHZWMHPG-MRVPVSSYSA-N 2 2 226.267 -0.090 20 0 BBADLP C[N@H+](CCOCCO)C[C@H]([NH3+])CC(F)F ZINC000903911088 584821765 /nfs/dbraw/zinc/82/17/65/584821765.db2.gz WNNNKQYHZWMHPG-MRVPVSSYSA-N 2 2 226.267 -0.090 20 0 BBADLP C[N@@H+](CCOCCO)C[C@@H]([NH3+])CC(F)F ZINC000903911089 584821515 /nfs/dbraw/zinc/82/15/15/584821515.db2.gz WNNNKQYHZWMHPG-QMMMGPOBSA-N 2 2 226.267 -0.090 20 0 BBADLP C[N@H+](CCOCCO)C[C@@H]([NH3+])CC(F)F ZINC000903911089 584821514 /nfs/dbraw/zinc/82/15/14/584821514.db2.gz WNNNKQYHZWMHPG-QMMMGPOBSA-N 2 2 226.267 -0.090 20 0 BBADLP C[N@@H+](CCOCC[NH3+])C[C@H]([NH3+])CC(F)F ZINC000903934697 584825704 /nfs/dbraw/zinc/82/57/04/584825704.db2.gz IWMZCUOKPUBMQZ-MRVPVSSYSA-N 3 2 225.283 -0.124 20 0 BBADLP C[N@H+](CCOCC[NH3+])C[C@H]([NH3+])CC(F)F ZINC000903934697 584825703 /nfs/dbraw/zinc/82/57/03/584825703.db2.gz IWMZCUOKPUBMQZ-MRVPVSSYSA-N 3 2 225.283 -0.124 20 0 BBADLP C[N@@H+](CCOCC[NH3+])C[C@@H]([NH3+])CC(F)F ZINC000903934698 584825899 /nfs/dbraw/zinc/82/58/99/584825899.db2.gz IWMZCUOKPUBMQZ-QMMMGPOBSA-N 3 2 225.283 -0.124 20 0 BBADLP C[N@H+](CCOCC[NH3+])C[C@@H]([NH3+])CC(F)F ZINC000903934698 584825898 /nfs/dbraw/zinc/82/58/98/584825898.db2.gz IWMZCUOKPUBMQZ-QMMMGPOBSA-N 3 2 225.283 -0.124 20 0 BBADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC000903965139 584834697 /nfs/dbraw/zinc/83/46/97/584834697.db2.gz XDYMZHCQDPLWRO-BDAKNGLRSA-N 2 2 209.297 -0.240 20 0 BBADLP C[C@@]1(C[N@H+]2CCO[C@H](C(N)=O)C2)CCC[NH2+]C1 ZINC000904315833 584863264 /nfs/dbraw/zinc/86/32/64/584863264.db2.gz FIGGADHWUKICIK-CMPLNLGQSA-N 2 2 241.335 -0.438 20 0 BBADLP C[C@@]1(C[N@@H+]2CCO[C@H](C(N)=O)C2)CCC[NH2+]C1 ZINC000904315833 584863263 /nfs/dbraw/zinc/86/32/63/584863263.db2.gz FIGGADHWUKICIK-CMPLNLGQSA-N 2 2 241.335 -0.438 20 0 BBADLP C[C@]1(C[N@H+]2CCO[C@H](C(N)=O)C2)CCC[NH2+]C1 ZINC000904315834 584863369 /nfs/dbraw/zinc/86/33/69/584863369.db2.gz FIGGADHWUKICIK-JQWIXIFHSA-N 2 2 241.335 -0.438 20 0 BBADLP C[C@]1(C[N@@H+]2CCO[C@H](C(N)=O)C2)CCC[NH2+]C1 ZINC000904315834 584863367 /nfs/dbraw/zinc/86/33/67/584863367.db2.gz FIGGADHWUKICIK-JQWIXIFHSA-N 2 2 241.335 -0.438 20 0 BBADLP C[C@]1(C[N@H+]2CCO[C@@H](C(N)=O)C2)CCC[NH2+]C1 ZINC000904315835 584863411 /nfs/dbraw/zinc/86/34/11/584863411.db2.gz FIGGADHWUKICIK-PWSUYJOCSA-N 2 2 241.335 -0.438 20 0 BBADLP C[C@]1(C[N@@H+]2CCO[C@@H](C(N)=O)C2)CCC[NH2+]C1 ZINC000904315835 584863409 /nfs/dbraw/zinc/86/34/09/584863409.db2.gz FIGGADHWUKICIK-PWSUYJOCSA-N 2 2 241.335 -0.438 20 0 BBADLP C[C@@]1(C[N@H+]2CCO[C@@H](C(N)=O)C2)CCC[NH2+]C1 ZINC000904315836 584863217 /nfs/dbraw/zinc/86/32/17/584863217.db2.gz FIGGADHWUKICIK-ZYHUDNBSSA-N 2 2 241.335 -0.438 20 0 BBADLP C[C@@]1(C[N@@H+]2CCO[C@@H](C(N)=O)C2)CCC[NH2+]C1 ZINC000904315836 584863216 /nfs/dbraw/zinc/86/32/16/584863216.db2.gz FIGGADHWUKICIK-ZYHUDNBSSA-N 2 2 241.335 -0.438 20 0 BBADLP Nc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nn1 ZINC000904334245 584866824 /nfs/dbraw/zinc/86/68/24/584866824.db2.gz QFCXPEOQEMRAQC-DTORHVGOSA-N 2 2 219.292 -0.290 20 0 BBADLP Nc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nn1 ZINC000904334245 584866823 /nfs/dbraw/zinc/86/68/23/584866823.db2.gz QFCXPEOQEMRAQC-DTORHVGOSA-N 2 2 219.292 -0.290 20 0 BBADLP [NH3+][C@H]1C[C@@H](C[N@H+]2CCN3C(=O)N=NC3C2)C1 ZINC000904340315 584866799 /nfs/dbraw/zinc/86/67/99/584866799.db2.gz HBLLWQKGKQQZDE-OCAPTIKFSA-N 2 2 223.280 -0.463 20 0 BBADLP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCN3C(=O)N=NC3C2)C1 ZINC000904340315 584866798 /nfs/dbraw/zinc/86/67/98/584866798.db2.gz HBLLWQKGKQQZDE-OCAPTIKFSA-N 2 2 223.280 -0.463 20 0 BBADLP [NH3+][C@H]1C[C@@H](C[N@H+]2CCn3c(=O)[nH]nc3C2)C1 ZINC000904340315 584866797 /nfs/dbraw/zinc/86/67/97/584866797.db2.gz HBLLWQKGKQQZDE-OCAPTIKFSA-N 2 2 223.280 -0.463 20 0 BBADLP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCn3c(=O)[nH]nc3C2)C1 ZINC000904340315 584866796 /nfs/dbraw/zinc/86/67/96/584866796.db2.gz HBLLWQKGKQQZDE-OCAPTIKFSA-N 2 2 223.280 -0.463 20 0 BBADLP C[N@H+]1CCN(Cc2ccc(N)nn2)[C@@H](C[NH3+])C1 ZINC000904350013 584868829 /nfs/dbraw/zinc/86/88/29/584868829.db2.gz GIIKQNBOMHETAS-JTQLQIEISA-N 2 2 236.323 -0.867 20 0 BBADLP C[N@@H+]1CCN(Cc2ccc(N)nn2)[C@@H](C[NH3+])C1 ZINC000904350013 584868828 /nfs/dbraw/zinc/86/88/28/584868828.db2.gz GIIKQNBOMHETAS-JTQLQIEISA-N 2 2 236.323 -0.867 20 0 BBADLP C[N@H+]1CCN(Cc2ccc(N)nn2)[C@H](C[NH3+])C1 ZINC000904350014 584868750 /nfs/dbraw/zinc/86/87/50/584868750.db2.gz GIIKQNBOMHETAS-SNVBAGLBSA-N 2 2 236.323 -0.867 20 0 BBADLP C[N@@H+]1CCN(Cc2ccc(N)nn2)[C@H](C[NH3+])C1 ZINC000904350014 584868749 /nfs/dbraw/zinc/86/87/49/584868749.db2.gz GIIKQNBOMHETAS-SNVBAGLBSA-N 2 2 236.323 -0.867 20 0 BBADLP Nc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)nn1 ZINC000904350045 584869059 /nfs/dbraw/zinc/86/90/59/584869059.db2.gz GHULIWBXELGZSR-SECBINFHSA-N 2 2 207.281 -0.114 20 0 BBADLP Nc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)nn1 ZINC000904350046 584868764 /nfs/dbraw/zinc/86/87/64/584868764.db2.gz GHULIWBXELGZSR-VIFPVBQESA-N 2 2 207.281 -0.114 20 0 BBADLP C[N@@H+](Cc1ccc(N)nn1)C1CC([NH3+])C1 ZINC000904350072 584868920 /nfs/dbraw/zinc/86/89/20/584868920.db2.gz GWWLYPNXUPXKAW-UHFFFAOYSA-N 2 2 207.281 -0.020 20 0 BBADLP C[N@H+](Cc1ccc(N)nn1)C1CC([NH3+])C1 ZINC000904350072 584868919 /nfs/dbraw/zinc/86/89/19/584868919.db2.gz GWWLYPNXUPXKAW-UHFFFAOYSA-N 2 2 207.281 -0.020 20 0 BBADLP CC[NH2+]CC[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904352976 584870058 /nfs/dbraw/zinc/87/00/58/584870058.db2.gz FBUBNWHJHGBGHZ-UHFFFAOYSA-N 3 2 214.357 -0.391 20 0 BBADLP COCC[NH2+]CC[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904352990 584869885 /nfs/dbraw/zinc/86/98/85/584869885.db2.gz FOTLWQAJHXMFDY-AOOOYVTPSA-N 3 2 201.314 -0.451 20 0 BBADLP COCC[NH2+]CC[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904353226 584869972 /nfs/dbraw/zinc/86/99/72/584869972.db2.gz JJUQRBIQOZIEOK-UHFFFAOYSA-N 3 2 244.383 -0.765 20 0 BBADLP COCC[NH2+]CC[NH2+]C1CC(C[NH3+])C1 ZINC000904354458 584870528 /nfs/dbraw/zinc/87/05/28/584870528.db2.gz YXSWLTDCBRBZCV-UHFFFAOYSA-N 3 2 201.314 -0.451 20 0 BBADLP [NH3+]CCN(CCO)Cc1[nH+]ccn1C1CC1 ZINC000904354789 584870857 /nfs/dbraw/zinc/87/08/57/584870857.db2.gz GIBRJMRSDLGXRG-UHFFFAOYSA-N 2 2 224.308 -0.029 20 0 BBADLP Nc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)nn1 ZINC000904354991 584870927 /nfs/dbraw/zinc/87/09/27/584870927.db2.gz JEUFRYJPQUNXPR-SECBINFHSA-N 2 2 207.281 -0.114 20 0 BBADLP Nc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)nn1 ZINC000904354992 584870972 /nfs/dbraw/zinc/87/09/72/584870972.db2.gz JEUFRYJPQUNXPR-VIFPVBQESA-N 2 2 207.281 -0.114 20 0 BBADLP [NH3+]CC[N@@H+](CCO)Cc1ccc(C[NH3+])cc1 ZINC000904355309 584870675 /nfs/dbraw/zinc/87/06/75/584870675.db2.gz MMJRIKSFOMWVIZ-UHFFFAOYSA-N 3 2 223.320 -0.102 20 0 BBADLP [NH3+]CC[N@H+](CCO)Cc1ccc(C[NH3+])cc1 ZINC000904355309 584870674 /nfs/dbraw/zinc/87/06/74/584870674.db2.gz MMJRIKSFOMWVIZ-UHFFFAOYSA-N 3 2 223.320 -0.102 20 0 BBADLP [NH3+]CCN1CCC([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000904355582 584871495 /nfs/dbraw/zinc/87/14/95/584871495.db2.gz UJMFERFXGCCFMK-JQWIXIFHSA-N 3 2 244.358 -0.301 20 0 BBADLP [NH3+]CC[NH+]1CCC(NCC(F)(F)C[NH3+])CC1 ZINC000904356331 584871226 /nfs/dbraw/zinc/87/12/26/584871226.db2.gz VZWADVJPRBUAJY-UHFFFAOYSA-N 3 2 236.310 -0.407 20 0 BBADLP CN(Cc1[nH+]ccn1C1CC1)C[C@@H](O)C[NH3+] ZINC000904357668 584871961 /nfs/dbraw/zinc/87/19/61/584871961.db2.gz ACPSUHADIJYYML-JTQLQIEISA-N 2 2 224.308 -0.031 20 0 BBADLP CN(Cc1[nH+]ccn1C1CC1)C[C@H](O)C[NH3+] ZINC000904357683 584871954 /nfs/dbraw/zinc/87/19/54/584871954.db2.gz ACPSUHADIJYYML-SNVBAGLBSA-N 2 2 224.308 -0.031 20 0 BBADLP [NH3+]CCN1CCC([NH2+]CCn2cc[nH+]c2)CC1 ZINC000904365293 584875042 /nfs/dbraw/zinc/87/50/42/584875042.db2.gz YMSAVFZUMIIVON-UHFFFAOYSA-N 3 2 237.351 -0.104 20 0 BBADLP COC(=O)[C@@H](C)NC1CC[NH+](CC[NH3+])CC1 ZINC000904369327 584873206 /nfs/dbraw/zinc/87/32/06/584873206.db2.gz SYVAXOLHFNHQAQ-SECBINFHSA-N 2 2 229.324 -0.439 20 0 BBADLP COC(=O)[C@@H](C)[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904369327 584873204 /nfs/dbraw/zinc/87/32/04/584873204.db2.gz SYVAXOLHFNHQAQ-SECBINFHSA-N 2 2 229.324 -0.439 20 0 BBADLP C[C@]1(C[NH2+]C[C@H]2C[NH2+]CCO2)CCC[NH2+]C1 ZINC000904370532 584873449 /nfs/dbraw/zinc/87/34/49/584873449.db2.gz AAPNURWELFKEOW-NEPJUHHUSA-N 3 2 227.352 -0.046 20 0 BBADLP C[C@@]1(C[NH2+]C[C@@H]2C[NH2+]CCO2)CCC[NH2+]C1 ZINC000904370533 584873392 /nfs/dbraw/zinc/87/33/92/584873392.db2.gz AAPNURWELFKEOW-NWDGAFQWSA-N 3 2 227.352 -0.046 20 0 BBADLP C[C@]1(C[NH2+]C[C@@H]2C[NH2+]CCO2)CCC[NH2+]C1 ZINC000904370534 584873067 /nfs/dbraw/zinc/87/30/67/584873067.db2.gz AAPNURWELFKEOW-RYUDHWBXSA-N 3 2 227.352 -0.046 20 0 BBADLP C[C@@]1(C[NH2+]C[C@H]2C[NH2+]CCO2)CCC[NH2+]C1 ZINC000904370535 584873236 /nfs/dbraw/zinc/87/32/36/584873236.db2.gz AAPNURWELFKEOW-VXGBXAGGSA-N 3 2 227.352 -0.046 20 0 BBADLP C[NH2+]C[C@H](C)[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904378679 584875828 /nfs/dbraw/zinc/87/58/28/584875828.db2.gz IBOTZIVGACUDNB-JTQLQIEISA-N 3 2 214.357 -0.393 20 0 BBADLP C[NH2+]C[C@@H](C)[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904378680 584876011 /nfs/dbraw/zinc/87/60/11/584876011.db2.gz IBOTZIVGACUDNB-SNVBAGLBSA-N 3 2 214.357 -0.393 20 0 BBADLP C([C@H]1CCCOC1)N1CC[NH2+]CC[NH2+]CC1 ZINC000904396093 584875571 /nfs/dbraw/zinc/87/55/71/584875571.db2.gz DBVUDLUIUKYHKX-GFCCVEGCSA-N 2 2 227.352 -0.092 20 0 BBADLP C([C@@H]1CCCOC1)N1CC[NH2+]CC[NH2+]CC1 ZINC000904396096 584875396 /nfs/dbraw/zinc/87/53/96/584875396.db2.gz DBVUDLUIUKYHKX-LBPRGKRZSA-N 2 2 227.352 -0.092 20 0 BBADLP C(CN1CC[NH2+]CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000904396272 584875600 /nfs/dbraw/zinc/87/56/00/584875600.db2.gz DVNLPOSBWHRTTL-GFCCVEGCSA-N 2 2 227.352 -0.092 20 0 BBADLP C(CN1CC[NH2+]CC[NH2+]CC1)[C@H]1CCOC1 ZINC000904396273 584875234 /nfs/dbraw/zinc/87/52/34/584875234.db2.gz DVNLPOSBWHRTTL-LBPRGKRZSA-N 2 2 227.352 -0.092 20 0 BBADLP COC[C@H](C)CN1CC[NH2+]CC[NH2+]CC1 ZINC000904396473 584875633 /nfs/dbraw/zinc/87/56/33/584875633.db2.gz IEWSHLQIBQSBKI-LLVKDONJSA-N 2 2 215.341 -0.236 20 0 BBADLP COC[C@@H](C)CN1CC[NH2+]CC[NH2+]CC1 ZINC000904396474 584875218 /nfs/dbraw/zinc/87/52/18/584875218.db2.gz IEWSHLQIBQSBKI-NSHDSACASA-N 2 2 215.341 -0.236 20 0 BBADLP C[C@@H]1C[C@H](CN2CC[NH2+]CC[NH2+]CC2)CC[NH2+]1 ZINC000904396667 584875608 /nfs/dbraw/zinc/87/56/08/584875608.db2.gz UTGVCDMZIAQAFB-CHWSQXEVSA-N 3 2 240.395 -0.131 20 0 BBADLP C[C@@H]1C[C@@H](CN2CC[NH2+]CC[NH2+]CC2)CC[NH2+]1 ZINC000904396669 584875562 /nfs/dbraw/zinc/87/55/62/584875562.db2.gz UTGVCDMZIAQAFB-OLZOCXBDSA-N 3 2 240.395 -0.131 20 0 BBADLP C[C@H]1C[C@H](CN2CC[NH2+]CC[NH2+]CC2)CC[NH2+]1 ZINC000904396671 584875299 /nfs/dbraw/zinc/87/52/99/584875299.db2.gz UTGVCDMZIAQAFB-QWHCGFSZSA-N 3 2 240.395 -0.131 20 0 BBADLP C[C@H]1C[C@@H](CN2CC[NH2+]CC[NH2+]CC2)CC[NH2+]1 ZINC000904396672 584875497 /nfs/dbraw/zinc/87/54/97/584875497.db2.gz UTGVCDMZIAQAFB-STQMWFEESA-N 3 2 240.395 -0.131 20 0 BBADLP CCn1cc[nH+]c1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904397144 584880314 /nfs/dbraw/zinc/88/03/14/584880314.db2.gz AKLXZSHIKBOTTJ-UHFFFAOYSA-N 3 2 237.351 -0.102 20 0 BBADLP Cn1cc[nH+]c1CN1CCC[C@]([NH3+])(CO)C1 ZINC000904402966 584878679 /nfs/dbraw/zinc/87/86/79/584878679.db2.gz XSSRUKMNGILVAN-LLVKDONJSA-N 2 2 224.308 -0.294 20 0 BBADLP Cn1cc[nH+]c1CN1CCC[C@@]([NH3+])(CO)C1 ZINC000904402967 584878692 /nfs/dbraw/zinc/87/86/92/584878692.db2.gz XSSRUKMNGILVAN-NSHDSACASA-N 2 2 224.308 -0.294 20 0 BBADLP Cn1nncc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420928 584882355 /nfs/dbraw/zinc/88/23/55/584882355.db2.gz YVCUBTWNNDMKAD-VHSXEESVSA-N 2 2 221.308 -0.144 20 0 BBADLP Cn1nncc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420928 584882353 /nfs/dbraw/zinc/88/23/53/584882353.db2.gz YVCUBTWNNDMKAD-VHSXEESVSA-N 2 2 221.308 -0.144 20 0 BBADLP C([NH2+][C@@H]1CNOC1)c1nc2c(s1)C[NH2+]CC2 ZINC000904424126 584881135 /nfs/dbraw/zinc/88/11/35/584881135.db2.gz MXURQINDJVJGTB-SSDOTTSWSA-N 2 2 240.332 -0.218 20 0 BBADLP C([NH2+][C@H]1CNOC1)c1nc2c(s1)C[NH2+]CC2 ZINC000904424127 584881186 /nfs/dbraw/zinc/88/11/86/584881186.db2.gz MXURQINDJVJGTB-ZETCQYMHSA-N 2 2 240.332 -0.218 20 0 BBADLP CC(C)([NH3+])C[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000904428841 637398352 /nfs/dbraw/zinc/39/83/52/637398352.db2.gz QEFGQVKTVWPGJZ-MRVPVSSYSA-N 2 2 235.353 -0.666 20 0 BBADLP CC(C)([NH3+])C[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000904428841 637398348 /nfs/dbraw/zinc/39/83/48/637398348.db2.gz QEFGQVKTVWPGJZ-MRVPVSSYSA-N 2 2 235.353 -0.666 20 0 BBADLP CC(C)([NH3+])C[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000904428842 637398672 /nfs/dbraw/zinc/39/86/72/637398672.db2.gz QEFGQVKTVWPGJZ-QMMMGPOBSA-N 2 2 235.353 -0.666 20 0 BBADLP CC(C)([NH3+])C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000904428842 637398664 /nfs/dbraw/zinc/39/86/64/637398664.db2.gz QEFGQVKTVWPGJZ-QMMMGPOBSA-N 2 2 235.353 -0.666 20 0 BBADLP COCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000905004060 637541928 /nfs/dbraw/zinc/54/19/28/637541928.db2.gz AIHMKMVFFFPOFO-UHFFFAOYSA-N 2 2 244.339 -0.645 20 0 BBADLP O[C@@H](C[NH2+]CCn1cc[nH+]c1)C1(O)CCC1 ZINC000905033224 637553320 /nfs/dbraw/zinc/55/33/20/637553320.db2.gz ANQVXGOLEASOEW-JTQLQIEISA-N 2 2 225.292 -0.251 20 0 BBADLP O[C@H](C[NH2+]CCn1cc[nH+]c1)C1(O)CCC1 ZINC000905033226 637555079 /nfs/dbraw/zinc/55/50/79/637555079.db2.gz ANQVXGOLEASOEW-SNVBAGLBSA-N 2 2 225.292 -0.251 20 0 BBADLP C[NH+](C)CCn1cc(C[N@@H+](C)CCO)nn1 ZINC000905061029 637596479 /nfs/dbraw/zinc/59/64/79/637596479.db2.gz AQENPZMMALQIBA-UHFFFAOYSA-N 2 2 227.312 -0.736 20 0 BBADLP C[NH+](C)CCn1cc(C[N@H+](C)CCO)nn1 ZINC000905061029 637596474 /nfs/dbraw/zinc/59/64/74/637596474.db2.gz AQENPZMMALQIBA-UHFFFAOYSA-N 2 2 227.312 -0.736 20 0 BBADLP COCC[N@@H+](C)Cc1cn(CC[NH+](C)C)nn1 ZINC000905062500 637598123 /nfs/dbraw/zinc/59/81/23/637598123.db2.gz VGBXYGHHLTVPAG-UHFFFAOYSA-N 2 2 241.339 -0.082 20 0 BBADLP COCC[N@H+](C)Cc1cn(CC[NH+](C)C)nn1 ZINC000905062500 637598115 /nfs/dbraw/zinc/59/81/15/637598115.db2.gz VGBXYGHHLTVPAG-UHFFFAOYSA-N 2 2 241.339 -0.082 20 0 BBADLP C[N@H+]1CC[C@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000905146650 637655752 /nfs/dbraw/zinc/65/57/52/637655752.db2.gz AUFDITHZDABTDI-JTQLQIEISA-N 2 2 237.307 -0.114 20 0 BBADLP C[N@@H+]1CC[C@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000905146650 637655746 /nfs/dbraw/zinc/65/57/46/637655746.db2.gz AUFDITHZDABTDI-JTQLQIEISA-N 2 2 237.307 -0.114 20 0 BBADLP C[N@H+]1CC[C@@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000905146656 637657220 /nfs/dbraw/zinc/65/72/20/637657220.db2.gz AUFDITHZDABTDI-SNVBAGLBSA-N 2 2 237.307 -0.114 20 0 BBADLP C[N@@H+]1CC[C@@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000905146656 637657210 /nfs/dbraw/zinc/65/72/10/637657210.db2.gz AUFDITHZDABTDI-SNVBAGLBSA-N 2 2 237.307 -0.114 20 0 BBADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905347273 637769036 /nfs/dbraw/zinc/76/90/36/637769036.db2.gz XXOCKKJSEBCEIN-GHMZBOCLSA-N 2 2 246.351 -0.836 20 0 BBADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905347274 637768844 /nfs/dbraw/zinc/76/88/44/637768844.db2.gz XXOCKKJSEBCEIN-MNOVXSKESA-N 2 2 246.351 -0.836 20 0 BBADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905347275 637769611 /nfs/dbraw/zinc/76/96/11/637769611.db2.gz XXOCKKJSEBCEIN-QWRGUYRKSA-N 2 2 246.351 -0.836 20 0 BBADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905347276 637769923 /nfs/dbraw/zinc/76/99/23/637769923.db2.gz XXOCKKJSEBCEIN-WDEREUQCSA-N 2 2 246.351 -0.836 20 0 BBADLP CC[C@@](O)(C[NH2+]C[C@H](O)C[NH2+]C)C(F)(F)F ZINC000905352579 637771030 /nfs/dbraw/zinc/77/10/30/637771030.db2.gz FXHLRODSMSKLCQ-HTQZYQBOSA-N 2 2 244.257 -0.140 20 0 BBADLP CC[C@@](O)(C[NH2+]C[C@@H](O)C[NH2+]C)C(F)(F)F ZINC000905352688 637773059 /nfs/dbraw/zinc/77/30/59/637773059.db2.gz FXHLRODSMSKLCQ-JGVFFNPUSA-N 2 2 244.257 -0.140 20 0 BBADLP CC[C@](O)(C[NH2+]C[C@H](O)C[NH2+]C)C(F)(F)F ZINC000905352689 637774130 /nfs/dbraw/zinc/77/41/30/637774130.db2.gz FXHLRODSMSKLCQ-SFYZADRCSA-N 2 2 244.257 -0.140 20 0 BBADLP CC[C@](O)(C[NH2+]C[C@@H](O)C[NH2+]C)C(F)(F)F ZINC000905352690 637773976 /nfs/dbraw/zinc/77/39/76/637773976.db2.gz FXHLRODSMSKLCQ-YUMQZZPRSA-N 2 2 244.257 -0.140 20 0 BBADLP CCO[C@H](C[NH2+]C[C@@H](O)COC)C[NH+](C)C ZINC000905579192 637854128 /nfs/dbraw/zinc/85/41/28/637854128.db2.gz JIFKZYWYNLBULU-GHMZBOCLSA-N 2 2 234.340 -0.450 20 0 BBADLP CCO[C@@H](C[NH2+]C[C@@H](O)COC)C[NH+](C)C ZINC000905579202 637854082 /nfs/dbraw/zinc/85/40/82/637854082.db2.gz JIFKZYWYNLBULU-MNOVXSKESA-N 2 2 234.340 -0.450 20 0 BBADLP CCO[C@@H](C[NH2+]C[C@H](O)COC)C[NH+](C)C ZINC000905579204 637853447 /nfs/dbraw/zinc/85/34/47/637853447.db2.gz JIFKZYWYNLBULU-QWRGUYRKSA-N 2 2 234.340 -0.450 20 0 BBADLP CCO[C@H](C[NH2+]C[C@H](O)COC)C[NH+](C)C ZINC000905579205 637854345 /nfs/dbraw/zinc/85/43/45/637854345.db2.gz JIFKZYWYNLBULU-WDEREUQCSA-N 2 2 234.340 -0.450 20 0 BBADLP CN(C)c1cc(N(C)C2C[NH2+]C2)nc[nH+]1 ZINC000905636168 637867198 /nfs/dbraw/zinc/86/71/98/637867198.db2.gz PQEOHRPCKMLPAC-UHFFFAOYSA-N 2 2 207.281 -0.049 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC(COC)C1 ZINC000905970814 637986242 /nfs/dbraw/zinc/98/62/42/637986242.db2.gz KDLVWNJFPAADMO-LLVKDONJSA-N 2 2 216.325 -0.123 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC(COC)C1 ZINC000905970814 637986236 /nfs/dbraw/zinc/98/62/36/637986236.db2.gz KDLVWNJFPAADMO-LLVKDONJSA-N 2 2 216.325 -0.123 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC(COC)C1 ZINC000905970815 637986762 /nfs/dbraw/zinc/98/67/62/637986762.db2.gz KDLVWNJFPAADMO-NSHDSACASA-N 2 2 216.325 -0.123 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC(COC)C1 ZINC000905970815 637986757 /nfs/dbraw/zinc/98/67/57/637986757.db2.gz KDLVWNJFPAADMO-NSHDSACASA-N 2 2 216.325 -0.123 20 0 BBADLP CC[N@@H+](CCO)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000907440504 638376186 /nfs/dbraw/zinc/37/61/86/638376186.db2.gz JRSZRKMQPGWVRR-UHFFFAOYSA-N 2 2 240.307 -0.617 20 0 BBADLP CC[N@H+](CCO)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000907440504 638376178 /nfs/dbraw/zinc/37/61/78/638376178.db2.gz JRSZRKMQPGWVRR-UHFFFAOYSA-N 2 2 240.307 -0.617 20 0 BBADLP C[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC000907804149 638469277 /nfs/dbraw/zinc/46/92/77/638469277.db2.gz ASQZYXFOJBHZTH-AOOOYVTPSA-N 2 2 234.303 -0.028 20 0 BBADLP C[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC000907804149 638469271 /nfs/dbraw/zinc/46/92/71/638469271.db2.gz ASQZYXFOJBHZTH-AOOOYVTPSA-N 2 2 234.303 -0.028 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000909144981 639161282 /nfs/dbraw/zinc/16/12/82/639161282.db2.gz BZGVNBVYHCRFBP-IAZYJMLFSA-N 2 2 234.303 -0.029 20 0 BBADLP [NH3+][C@@H](CC(=O)N1CCC[C@H]([NH3+])C1)C(F)F ZINC000911622464 639684410 /nfs/dbraw/zinc/68/44/10/639684410.db2.gz HBZRRPYTNGEEBL-BQBZGAKWSA-N 2 2 221.251 -0.081 20 0 BBADLP [NH3+][C@H](CC(=O)N1CCC[C@H]([NH3+])C1)C(F)F ZINC000911622465 639685580 /nfs/dbraw/zinc/68/55/80/639685580.db2.gz HBZRRPYTNGEEBL-NKWVEPMBSA-N 2 2 221.251 -0.081 20 0 BBADLP [NH3+][C@H](CC(=O)N1CCC[C@@H]([NH3+])C1)C(F)F ZINC000911622466 639686056 /nfs/dbraw/zinc/68/60/56/639686056.db2.gz HBZRRPYTNGEEBL-RNFRBKRXSA-N 2 2 221.251 -0.081 20 0 BBADLP [NH3+][C@@H](CC(=O)N1CCC[C@@H]([NH3+])C1)C(F)F ZINC000911622467 639684792 /nfs/dbraw/zinc/68/47/92/639684792.db2.gz HBZRRPYTNGEEBL-RQJHMYQMSA-N 2 2 221.251 -0.081 20 0 BBADLP CC[C@H](C(=O)NCC[NH3+])[N@H+]1CCO[C@H](CC)C1 ZINC000911622858 639685877 /nfs/dbraw/zinc/68/58/77/639685877.db2.gz JDKSMVMRXHMQEX-GHMZBOCLSA-N 2 2 243.351 -0.049 20 0 BBADLP CC[C@H](C(=O)NCC[NH3+])[N@@H+]1CCO[C@H](CC)C1 ZINC000911622858 639685873 /nfs/dbraw/zinc/68/58/73/639685873.db2.gz JDKSMVMRXHMQEX-GHMZBOCLSA-N 2 2 243.351 -0.049 20 0 BBADLP CC[C@@H](C(=O)NCC[NH3+])[N@H+]1CCO[C@H](CC)C1 ZINC000911622859 639684956 /nfs/dbraw/zinc/68/49/56/639684956.db2.gz JDKSMVMRXHMQEX-MNOVXSKESA-N 2 2 243.351 -0.049 20 0 BBADLP CC[C@@H](C(=O)NCC[NH3+])[N@@H+]1CCO[C@H](CC)C1 ZINC000911622859 639684948 /nfs/dbraw/zinc/68/49/48/639684948.db2.gz JDKSMVMRXHMQEX-MNOVXSKESA-N 2 2 243.351 -0.049 20 0 BBADLP CC[C@@H](C(=O)NCC[NH3+])[N@H+]1CCO[C@@H](CC)C1 ZINC000911622860 639685782 /nfs/dbraw/zinc/68/57/82/639685782.db2.gz JDKSMVMRXHMQEX-QWRGUYRKSA-N 2 2 243.351 -0.049 20 0 BBADLP CC[C@@H](C(=O)NCC[NH3+])[N@@H+]1CCO[C@@H](CC)C1 ZINC000911622860 639685775 /nfs/dbraw/zinc/68/57/75/639685775.db2.gz JDKSMVMRXHMQEX-QWRGUYRKSA-N 2 2 243.351 -0.049 20 0 BBADLP CC[C@H](C(=O)NCC[NH3+])[N@H+]1CCO[C@@H](CC)C1 ZINC000911622861 639684850 /nfs/dbraw/zinc/68/48/50/639684850.db2.gz JDKSMVMRXHMQEX-WDEREUQCSA-N 2 2 243.351 -0.049 20 0 BBADLP CC[C@H](C(=O)NCC[NH3+])[N@@H+]1CCO[C@@H](CC)C1 ZINC000911622861 639684845 /nfs/dbraw/zinc/68/48/45/639684845.db2.gz JDKSMVMRXHMQEX-WDEREUQCSA-N 2 2 243.351 -0.049 20 0 BBADLP [NH3+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911624309 639685456 /nfs/dbraw/zinc/68/54/56/639685456.db2.gz RKWSRSRTIUKPOB-MRVPVSSYSA-N 2 2 208.265 -0.480 20 0 BBADLP [NH3+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000911624313 639686086 /nfs/dbraw/zinc/68/60/86/639686086.db2.gz RKWSRSRTIUKPOB-QMMMGPOBSA-N 2 2 208.265 -0.480 20 0 BBADLP [NH3+]CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911647725 639701943 /nfs/dbraw/zinc/70/19/43/639701943.db2.gz HZQCIRIRHAOHFG-SECBINFHSA-N 2 2 222.292 -0.090 20 0 BBADLP [NH3+]CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000911647727 639702024 /nfs/dbraw/zinc/70/20/24/639702024.db2.gz HZQCIRIRHAOHFG-VIFPVBQESA-N 2 2 222.292 -0.090 20 0 BBADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[NH2+]CC1 ZINC000911650010 639706898 /nfs/dbraw/zinc/70/68/98/639706898.db2.gz ZWRNIASLIALTKN-JTQLQIEISA-N 2 2 234.303 -0.123 20 0 BBADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[NH2+]CC1 ZINC000911650011 639708346 /nfs/dbraw/zinc/70/83/46/639708346.db2.gz ZWRNIASLIALTKN-SNVBAGLBSA-N 2 2 234.303 -0.123 20 0 BBADLP C[NH2+][C@H]1CCN(C(=O)C[C@H]([NH3+])C(F)F)C1 ZINC000911654935 639709330 /nfs/dbraw/zinc/70/93/30/639709330.db2.gz DKIXFLUESVNBPE-BQBZGAKWSA-N 2 2 221.251 -0.211 20 0 BBADLP C[NH2+][C@H]1CCN(C(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC000911654936 639709815 /nfs/dbraw/zinc/70/98/15/639709815.db2.gz DKIXFLUESVNBPE-NKWVEPMBSA-N 2 2 221.251 -0.211 20 0 BBADLP C[NH2+][C@@H]1CCN(C(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC000911654937 639710525 /nfs/dbraw/zinc/71/05/25/639710525.db2.gz DKIXFLUESVNBPE-RNFRBKRXSA-N 2 2 221.251 -0.211 20 0 BBADLP C[NH2+][C@@H]1CCN(C(=O)C[C@H]([NH3+])C(F)F)C1 ZINC000911654938 639708875 /nfs/dbraw/zinc/70/88/75/639708875.db2.gz DKIXFLUESVNBPE-RQJHMYQMSA-N 2 2 221.251 -0.211 20 0 BBADLP [NH3+][C@@H](CC(=O)N[C@H]1CCC[NH2+]C1)C(F)F ZINC000911674283 639714255 /nfs/dbraw/zinc/71/42/55/639714255.db2.gz SHFUXLOUZHLZMA-BQBZGAKWSA-N 2 2 221.251 -0.163 20 0 BBADLP [NH3+][C@H](CC(=O)N[C@H]1CCC[NH2+]C1)C(F)F ZINC000911674284 639713849 /nfs/dbraw/zinc/71/38/49/639713849.db2.gz SHFUXLOUZHLZMA-NKWVEPMBSA-N 2 2 221.251 -0.163 20 0 BBADLP [NH3+][C@H](CC(=O)N[C@@H]1CCC[NH2+]C1)C(F)F ZINC000911674285 639715373 /nfs/dbraw/zinc/71/53/73/639715373.db2.gz SHFUXLOUZHLZMA-RNFRBKRXSA-N 2 2 221.251 -0.163 20 0 BBADLP [NH3+][C@@H](CC(=O)N[C@@H]1CCC[NH2+]C1)C(F)F ZINC000911674286 639715911 /nfs/dbraw/zinc/71/59/11/639715911.db2.gz SHFUXLOUZHLZMA-RQJHMYQMSA-N 2 2 221.251 -0.163 20 0 BBADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[NH2+]C1 ZINC000911674982 639715224 /nfs/dbraw/zinc/71/52/24/639715224.db2.gz YVDFMSSBSWACTG-MRVPVSSYSA-N 2 2 208.265 -0.180 20 0 BBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC[NH2+]C1 ZINC000911674983 639714121 /nfs/dbraw/zinc/71/41/21/639714121.db2.gz YVDFMSSBSWACTG-QMMMGPOBSA-N 2 2 208.265 -0.180 20 0 BBADLP C[NH2+]CCCNC(=O)C[C@H]([NH3+])C(F)F ZINC000911677353 639718257 /nfs/dbraw/zinc/71/82/57/639718257.db2.gz PSXUAOCWDAJZCD-LURJTMIESA-N 2 2 209.240 -0.305 20 0 BBADLP C[NH2+]CCCNC(=O)C[C@@H]([NH3+])C(F)F ZINC000911677363 639716714 /nfs/dbraw/zinc/71/67/14/639716714.db2.gz PSXUAOCWDAJZCD-ZCFIWIBFSA-N 2 2 209.240 -0.305 20 0 BBADLP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911696168 639730261 /nfs/dbraw/zinc/73/02/61/639730261.db2.gz RRYHJDIJCCUUBZ-NXEZZACHSA-N 2 2 234.303 -0.076 20 0 BBADLP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000911696170 639730989 /nfs/dbraw/zinc/73/09/89/639730989.db2.gz RRYHJDIJCCUUBZ-VHSXEESVSA-N 2 2 234.303 -0.076 20 0 BBADLP [NH3+][C@H](CC(=O)N[C@H]1CC[NH2+]C1)C(F)F ZINC000911699054 639733680 /nfs/dbraw/zinc/73/36/80/639733680.db2.gz OMSKRJPRWGLCKO-NTSWFWBYSA-N 2 2 207.224 -0.553 20 0 BBADLP [NH3+][C@H](CC(=O)N[C@@H]1CC[NH2+]C1)C(F)F ZINC000911699055 639732913 /nfs/dbraw/zinc/73/29/13/639732913.db2.gz OMSKRJPRWGLCKO-PHDIDXHHSA-N 2 2 207.224 -0.553 20 0 BBADLP [NH3+][C@@H](CC(=O)N[C@@H]1CC[NH2+]C1)C(F)F ZINC000911699056 639732438 /nfs/dbraw/zinc/73/24/38/639732438.db2.gz OMSKRJPRWGLCKO-RITPCOANSA-N 2 2 207.224 -0.553 20 0 BBADLP [NH3+][C@@H](CC(=O)N[C@H]1CC[NH2+]C1)C(F)F ZINC000911699057 639733314 /nfs/dbraw/zinc/73/33/14/639733314.db2.gz OMSKRJPRWGLCKO-WDSKDSINSA-N 2 2 207.224 -0.553 20 0 BBADLP C[C@H]1C[NH2+]CCN1C(=O)C[C@H]([NH3+])C(F)F ZINC000911723549 639747164 /nfs/dbraw/zinc/74/71/64/639747164.db2.gz GMFRYBDQTKASLW-BQBZGAKWSA-N 2 2 221.251 -0.211 20 0 BBADLP C[C@H]1C[NH2+]CCN1C(=O)C[C@@H]([NH3+])C(F)F ZINC000911723717 639749358 /nfs/dbraw/zinc/74/93/58/639749358.db2.gz GMFRYBDQTKASLW-NKWVEPMBSA-N 2 2 221.251 -0.211 20 0 BBADLP C[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]([NH3+])C(F)F ZINC000911723719 639749743 /nfs/dbraw/zinc/74/97/43/639749743.db2.gz GMFRYBDQTKASLW-RNFRBKRXSA-N 2 2 221.251 -0.211 20 0 BBADLP C[C@@H]1C[NH2+]CCN1C(=O)C[C@H]([NH3+])C(F)F ZINC000911723720 639748191 /nfs/dbraw/zinc/74/81/91/639748191.db2.gz GMFRYBDQTKASLW-RQJHMYQMSA-N 2 2 221.251 -0.211 20 0 BBADLP C[C@@H]1C[NH2+]CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000911724026 639747037 /nfs/dbraw/zinc/74/70/37/639747037.db2.gz KRZSKIFNJWFDRD-MRVPVSSYSA-N 2 2 208.265 -0.228 20 0 BBADLP C[C@H]1C[NH2+]CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000911724027 639748946 /nfs/dbraw/zinc/74/89/46/639748946.db2.gz KRZSKIFNJWFDRD-QMMMGPOBSA-N 2 2 208.265 -0.228 20 0 BBADLP C[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911748710 639773330 /nfs/dbraw/zinc/77/33/30/639773330.db2.gz QNTRWHWROUMNET-SECBINFHSA-N 2 2 222.292 -0.219 20 0 BBADLP C[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000911748715 639772819 /nfs/dbraw/zinc/77/28/19/639772819.db2.gz QNTRWHWROUMNET-VIFPVBQESA-N 2 2 222.292 -0.219 20 0 BBADLP CC[NH2+]CCNC(=O)C[C@H]([NH3+])C(F)F ZINC000911750177 639775339 /nfs/dbraw/zinc/77/53/39/639775339.db2.gz HEYWLFGXZCXPOM-LURJTMIESA-N 2 2 209.240 -0.305 20 0 BBADLP CC[NH2+]CCNC(=O)C[C@@H]([NH3+])C(F)F ZINC000911750178 639775012 /nfs/dbraw/zinc/77/50/12/639775012.db2.gz HEYWLFGXZCXPOM-ZCFIWIBFSA-N 2 2 209.240 -0.305 20 0 BBADLP [NH3+][C@@H](CC(=O)NC[C@@H]1CCC[NH2+]1)C(F)F ZINC000911751778 639778870 /nfs/dbraw/zinc/77/88/70/639778870.db2.gz OMKIVDYLYIOQBP-BQBZGAKWSA-N 2 2 221.251 -0.163 20 0 BBADLP [NH3+][C@H](CC(=O)NC[C@@H]1CCC[NH2+]1)C(F)F ZINC000911751779 639779452 /nfs/dbraw/zinc/77/94/52/639779452.db2.gz OMKIVDYLYIOQBP-NKWVEPMBSA-N 2 2 221.251 -0.163 20 0 BBADLP [NH3+][C@H](CC(=O)NC[C@H]1CCC[NH2+]1)C(F)F ZINC000911751780 639780127 /nfs/dbraw/zinc/78/01/27/639780127.db2.gz OMKIVDYLYIOQBP-RNFRBKRXSA-N 2 2 221.251 -0.163 20 0 BBADLP [NH3+][C@@H](CC(=O)NC[C@H]1CCC[NH2+]1)C(F)F ZINC000911751781 639779098 /nfs/dbraw/zinc/77/90/98/639779098.db2.gz OMKIVDYLYIOQBP-RQJHMYQMSA-N 2 2 221.251 -0.163 20 0 BBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CCC[NH2+]1 ZINC000911752014 639779027 /nfs/dbraw/zinc/77/90/27/639779027.db2.gz SAHQGPTXXXWYNW-MRVPVSSYSA-N 2 2 208.265 -0.180 20 0 BBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCC[NH2+]1 ZINC000911752015 639780233 /nfs/dbraw/zinc/78/02/33/639780233.db2.gz SAHQGPTXXXWYNW-QMMMGPOBSA-N 2 2 208.265 -0.180 20 0 BBADLP [NH3+][C@H](CC(=O)NCC[NH2+]C1CC1)C(F)F ZINC000911752076 639779993 /nfs/dbraw/zinc/77/99/93/639779993.db2.gz IYNXTWUQEDPMHL-SSDOTTSWSA-N 2 2 221.251 -0.163 20 0 BBADLP [NH3+][C@@H](CC(=O)NCC[NH2+]C1CC1)C(F)F ZINC000911752077 639779201 /nfs/dbraw/zinc/77/92/01/639779201.db2.gz IYNXTWUQEDPMHL-ZETCQYMHSA-N 2 2 221.251 -0.163 20 0 BBADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]C1CC1 ZINC000911754476 639785165 /nfs/dbraw/zinc/78/51/65/639785165.db2.gz MIRMQTNTEMBXLG-UHFFFAOYSA-N 2 2 208.265 -0.180 20 0 BBADLP CC(C)(C[NH3+])NC(=O)C[C@@H]([NH3+])C(F)F ZINC000911761590 639801154 /nfs/dbraw/zinc/80/11/54/639801154.db2.gz FJEJWWLMRDIHQG-RXMQYKEDSA-N 2 2 209.240 -0.178 20 0 BBADLP CC(C)(C[NH3+])NC(=O)C[C@H]([NH3+])C(F)F ZINC000911761591 639802268 /nfs/dbraw/zinc/80/22/68/639802268.db2.gz FJEJWWLMRDIHQG-YFKPBYRVSA-N 2 2 209.240 -0.178 20 0 BBADLP CN(C(=O)C[C@H]([NH3+])C(F)F)[C@H]1CC[NH2+]C1 ZINC000911789322 639807752 /nfs/dbraw/zinc/80/77/52/639807752.db2.gz VNEPIUBRSUAPMH-BQBZGAKWSA-N 2 2 221.251 -0.211 20 0 BBADLP CN(C(=O)C[C@@H]([NH3+])C(F)F)[C@H]1CC[NH2+]C1 ZINC000911789323 639806668 /nfs/dbraw/zinc/80/66/68/639806668.db2.gz VNEPIUBRSUAPMH-NKWVEPMBSA-N 2 2 221.251 -0.211 20 0 BBADLP CN(C(=O)C[C@@H]([NH3+])C(F)F)[C@@H]1CC[NH2+]C1 ZINC000911789324 639806998 /nfs/dbraw/zinc/80/69/98/639806998.db2.gz VNEPIUBRSUAPMH-RNFRBKRXSA-N 2 2 221.251 -0.211 20 0 BBADLP CN(C(=O)C[C@H]([NH3+])C(F)F)[C@@H]1CC[NH2+]C1 ZINC000911789325 639807445 /nfs/dbraw/zinc/80/74/45/639807445.db2.gz VNEPIUBRSUAPMH-RQJHMYQMSA-N 2 2 221.251 -0.211 20 0 BBADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[NH2+]1 ZINC000911803144 639826675 /nfs/dbraw/zinc/82/66/75/639826675.db2.gz OOVOZBHBOFUDEJ-MRVPVSSYSA-N 2 2 208.265 -0.228 20 0 BBADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[NH2+]1 ZINC000911803145 639825689 /nfs/dbraw/zinc/82/56/89/639825689.db2.gz OOVOZBHBOFUDEJ-QMMMGPOBSA-N 2 2 208.265 -0.228 20 0 BBADLP C[C@H]1CN(C(=O)C[C@H]([NH3+])C(F)F)CC[NH2+]1 ZINC000911809004 639830994 /nfs/dbraw/zinc/83/09/94/639830994.db2.gz HMDBGZOWDJVENH-BQBZGAKWSA-N 2 2 221.251 -0.211 20 0 BBADLP C[C@H]1CN(C(=O)C[C@@H]([NH3+])C(F)F)CC[NH2+]1 ZINC000911809006 639831340 /nfs/dbraw/zinc/83/13/40/639831340.db2.gz HMDBGZOWDJVENH-NKWVEPMBSA-N 2 2 221.251 -0.211 20 0 BBADLP C[C@@H]1CN(C(=O)C[C@@H]([NH3+])C(F)F)CC[NH2+]1 ZINC000911809007 639830545 /nfs/dbraw/zinc/83/05/45/639830545.db2.gz HMDBGZOWDJVENH-RNFRBKRXSA-N 2 2 221.251 -0.211 20 0 BBADLP C[C@@H]1CN(C(=O)C[C@H]([NH3+])C(F)F)CC[NH2+]1 ZINC000911809009 639831106 /nfs/dbraw/zinc/83/11/06/639831106.db2.gz HMDBGZOWDJVENH-RQJHMYQMSA-N 2 2 221.251 -0.211 20 0 BBADLP C[C@@H](C[NH3+])N(C)C(=O)C[C@@H]([NH3+])C(F)F ZINC000911811959 639832917 /nfs/dbraw/zinc/83/29/17/639832917.db2.gz FPKHOSUDSJFBHF-NTSWFWBYSA-N 2 2 209.240 -0.226 20 0 BBADLP C[C@H](C[NH3+])N(C)C(=O)C[C@@H]([NH3+])C(F)F ZINC000911811961 639832943 /nfs/dbraw/zinc/83/29/43/639832943.db2.gz FPKHOSUDSJFBHF-PHDIDXHHSA-N 2 2 209.240 -0.226 20 0 BBADLP C[C@H](C[NH3+])N(C)C(=O)C[C@H]([NH3+])C(F)F ZINC000911811962 639833357 /nfs/dbraw/zinc/83/33/57/639833357.db2.gz FPKHOSUDSJFBHF-RITPCOANSA-N 2 2 209.240 -0.226 20 0 BBADLP C[C@@H](C[NH3+])N(C)C(=O)C[C@H]([NH3+])C(F)F ZINC000911811965 639833408 /nfs/dbraw/zinc/83/34/08/639833408.db2.gz FPKHOSUDSJFBHF-WDSKDSINSA-N 2 2 209.240 -0.226 20 0 BBADLP [NH3+]C[C@H](NC(=O)C[C@H]([NH3+])C(F)F)C1CC1 ZINC000911831020 639843029 /nfs/dbraw/zinc/84/30/29/639843029.db2.gz BETQQKFBGCXVGA-BQBZGAKWSA-N 2 2 221.251 -0.178 20 0 BBADLP [NH3+]C[C@@H](NC(=O)C[C@H]([NH3+])C(F)F)C1CC1 ZINC000911831021 639842280 /nfs/dbraw/zinc/84/22/80/639842280.db2.gz BETQQKFBGCXVGA-NKWVEPMBSA-N 2 2 221.251 -0.178 20 0 BBADLP [NH3+]C[C@@H](NC(=O)C[C@@H]([NH3+])C(F)F)C1CC1 ZINC000911831022 639842184 /nfs/dbraw/zinc/84/21/84/639842184.db2.gz BETQQKFBGCXVGA-RNFRBKRXSA-N 2 2 221.251 -0.178 20 0 BBADLP [NH3+]C[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)C1CC1 ZINC000911831023 639842717 /nfs/dbraw/zinc/84/27/17/639842717.db2.gz BETQQKFBGCXVGA-RQJHMYQMSA-N 2 2 221.251 -0.178 20 0 BBADLP CC(C)([NH3+])CNC(=O)C[C@@H]([NH3+])C(F)F ZINC000911844825 639854651 /nfs/dbraw/zinc/85/46/51/639854651.db2.gz CZFSUDQTOROYOC-RXMQYKEDSA-N 2 2 209.240 -0.178 20 0 BBADLP CC(C)([NH3+])CNC(=O)C[C@H]([NH3+])C(F)F ZINC000911844826 639854424 /nfs/dbraw/zinc/85/44/24/639854424.db2.gz CZFSUDQTOROYOC-YFKPBYRVSA-N 2 2 209.240 -0.178 20 0 BBADLP [NH3+]C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000911845168 639855379 /nfs/dbraw/zinc/85/53/79/639855379.db2.gz HYIPPPWKGKVKGQ-MRVPVSSYSA-N 2 2 208.265 -0.098 20 0 BBADLP [NH3+]C[C@H]1CCCN1C(=O)C[C@@H]([NH3+])C(F)F ZINC000911851743 639857988 /nfs/dbraw/zinc/85/79/88/639857988.db2.gz JCQFXKORNLJGGP-RNFRBKRXSA-N 2 2 221.251 -0.081 20 0 BBADLP [NH3+]C[C@H]1CCCN1C(=O)C[C@H]([NH3+])C(F)F ZINC000911851744 639857598 /nfs/dbraw/zinc/85/75/98/639857598.db2.gz JCQFXKORNLJGGP-RQJHMYQMSA-N 2 2 221.251 -0.081 20 0 BBADLP CN(CC1C[NH+](C)C1)C(=O)Cc1c[nH+]c[nH]1 ZINC000912453831 640082374 /nfs/dbraw/zinc/08/23/74/640082374.db2.gz HXZMPFYPQACCLP-UHFFFAOYSA-N 2 2 222.292 -0.028 20 0 BBADLP CN(CC[N@@H+](C)CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC000912603067 640134417 /nfs/dbraw/zinc/13/44/17/640134417.db2.gz BIFWXLYHYJXQEX-UHFFFAOYSA-N 2 2 240.307 -0.665 20 0 BBADLP CN(CC[N@@H+](C)CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC000912611527 640138393 /nfs/dbraw/zinc/13/83/93/640138393.db2.gz DLXONVOCMJQKPM-UHFFFAOYSA-N 2 2 240.307 -0.665 20 0 BBADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1CO)[NH+](C)C ZINC000912734797 640185010 /nfs/dbraw/zinc/18/50/10/640185010.db2.gz OZLWTHSVCOJCSJ-NXEZZACHSA-N 2 2 229.324 -0.929 20 0 BBADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1CO)[NH+](C)C ZINC000912734797 640185002 /nfs/dbraw/zinc/18/50/02/640185002.db2.gz OZLWTHSVCOJCSJ-NXEZZACHSA-N 2 2 229.324 -0.929 20 0 BBADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1CO)[NH+](C)C ZINC000912734798 640187696 /nfs/dbraw/zinc/18/76/96/640187696.db2.gz OZLWTHSVCOJCSJ-UWVGGRQHSA-N 2 2 229.324 -0.929 20 0 BBADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1CO)[NH+](C)C ZINC000912734798 640187694 /nfs/dbraw/zinc/18/76/94/640187694.db2.gz OZLWTHSVCOJCSJ-UWVGGRQHSA-N 2 2 229.324 -0.929 20 0 BBADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1CO)[NH+](C)C ZINC000912734799 640186681 /nfs/dbraw/zinc/18/66/81/640186681.db2.gz OZLWTHSVCOJCSJ-VHSXEESVSA-N 2 2 229.324 -0.929 20 0 BBADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1CO)[NH+](C)C ZINC000912734799 640186678 /nfs/dbraw/zinc/18/66/78/640186678.db2.gz OZLWTHSVCOJCSJ-VHSXEESVSA-N 2 2 229.324 -0.929 20 0 BBADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1CO)[NH+](C)C ZINC000912734800 640187133 /nfs/dbraw/zinc/18/71/33/640187133.db2.gz OZLWTHSVCOJCSJ-ZJUUUORDSA-N 2 2 229.324 -0.929 20 0 BBADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1CO)[NH+](C)C ZINC000912734800 640187124 /nfs/dbraw/zinc/18/71/24/640187124.db2.gz OZLWTHSVCOJCSJ-ZJUUUORDSA-N 2 2 229.324 -0.929 20 0 BBADLP C[NH+]1CCC[C@@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912734898 640185352 /nfs/dbraw/zinc/18/53/52/640185352.db2.gz QZKJFJKXDYKBNY-GHMZBOCLSA-N 2 2 241.335 -0.785 20 0 BBADLP C[NH+]1CCC[C@@H]1C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912734898 640185348 /nfs/dbraw/zinc/18/53/48/640185348.db2.gz QZKJFJKXDYKBNY-GHMZBOCLSA-N 2 2 241.335 -0.785 20 0 BBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C)C[C@@H]1CO ZINC000912734898 640185346 /nfs/dbraw/zinc/18/53/46/640185346.db2.gz QZKJFJKXDYKBNY-GHMZBOCLSA-N 2 2 241.335 -0.785 20 0 BBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C)C[C@@H]1CO ZINC000912734898 640185344 /nfs/dbraw/zinc/18/53/44/640185344.db2.gz QZKJFJKXDYKBNY-GHMZBOCLSA-N 2 2 241.335 -0.785 20 0 BBADLP C[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912734899 640187181 /nfs/dbraw/zinc/18/71/81/640187181.db2.gz QZKJFJKXDYKBNY-MNOVXSKESA-N 2 2 241.335 -0.785 20 0 BBADLP C[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912734899 640187177 /nfs/dbraw/zinc/18/71/77/640187177.db2.gz QZKJFJKXDYKBNY-MNOVXSKESA-N 2 2 241.335 -0.785 20 0 BBADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)C[C@@H]1CO ZINC000912734899 640187169 /nfs/dbraw/zinc/18/71/69/640187169.db2.gz QZKJFJKXDYKBNY-MNOVXSKESA-N 2 2 241.335 -0.785 20 0 BBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)C[C@@H]1CO ZINC000912734899 640187164 /nfs/dbraw/zinc/18/71/64/640187164.db2.gz QZKJFJKXDYKBNY-MNOVXSKESA-N 2 2 241.335 -0.785 20 0 BBADLP C[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912734900 640186883 /nfs/dbraw/zinc/18/68/83/640186883.db2.gz QZKJFJKXDYKBNY-QWRGUYRKSA-N 2 2 241.335 -0.785 20 0 BBADLP C[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912734900 640186881 /nfs/dbraw/zinc/18/68/81/640186881.db2.gz QZKJFJKXDYKBNY-QWRGUYRKSA-N 2 2 241.335 -0.785 20 0 BBADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)C[C@H]1CO ZINC000912734900 640186880 /nfs/dbraw/zinc/18/68/80/640186880.db2.gz QZKJFJKXDYKBNY-QWRGUYRKSA-N 2 2 241.335 -0.785 20 0 BBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)C[C@H]1CO ZINC000912734900 640186879 /nfs/dbraw/zinc/18/68/79/640186879.db2.gz QZKJFJKXDYKBNY-QWRGUYRKSA-N 2 2 241.335 -0.785 20 0 BBADLP C[NH+]1CCC[C@@H]1C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912734901 640185468 /nfs/dbraw/zinc/18/54/68/640185468.db2.gz QZKJFJKXDYKBNY-WDEREUQCSA-N 2 2 241.335 -0.785 20 0 BBADLP C[NH+]1CCC[C@@H]1C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912734901 640185461 /nfs/dbraw/zinc/18/54/61/640185461.db2.gz QZKJFJKXDYKBNY-WDEREUQCSA-N 2 2 241.335 -0.785 20 0 BBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C)C[C@H]1CO ZINC000912734901 640185454 /nfs/dbraw/zinc/18/54/54/640185454.db2.gz QZKJFJKXDYKBNY-WDEREUQCSA-N 2 2 241.335 -0.785 20 0 BBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C)C[C@H]1CO ZINC000912734901 640185449 /nfs/dbraw/zinc/18/54/49/640185449.db2.gz QZKJFJKXDYKBNY-WDEREUQCSA-N 2 2 241.335 -0.785 20 0 BBADLP CC[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1CO)[NH+](C)C ZINC000912740943 640190456 /nfs/dbraw/zinc/19/04/56/640190456.db2.gz HKIBKBLSQAWVHF-GHMZBOCLSA-N 2 2 243.351 -0.539 20 0 BBADLP CC[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1CO)[NH+](C)C ZINC000912740943 640190453 /nfs/dbraw/zinc/19/04/53/640190453.db2.gz HKIBKBLSQAWVHF-GHMZBOCLSA-N 2 2 243.351 -0.539 20 0 BBADLP CC[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1CO)[NH+](C)C ZINC000912740944 640190419 /nfs/dbraw/zinc/19/04/19/640190419.db2.gz HKIBKBLSQAWVHF-MNOVXSKESA-N 2 2 243.351 -0.539 20 0 BBADLP CC[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1CO)[NH+](C)C ZINC000912740944 640190414 /nfs/dbraw/zinc/19/04/14/640190414.db2.gz HKIBKBLSQAWVHF-MNOVXSKESA-N 2 2 243.351 -0.539 20 0 BBADLP CC[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1CO)[NH+](C)C ZINC000912740945 640189195 /nfs/dbraw/zinc/18/91/95/640189195.db2.gz HKIBKBLSQAWVHF-QWRGUYRKSA-N 2 2 243.351 -0.539 20 0 BBADLP CC[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1CO)[NH+](C)C ZINC000912740945 640189187 /nfs/dbraw/zinc/18/91/87/640189187.db2.gz HKIBKBLSQAWVHF-QWRGUYRKSA-N 2 2 243.351 -0.539 20 0 BBADLP CC[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1CO)[NH+](C)C ZINC000912740946 640189885 /nfs/dbraw/zinc/18/98/85/640189885.db2.gz HKIBKBLSQAWVHF-WDEREUQCSA-N 2 2 243.351 -0.539 20 0 BBADLP CC[C@H](C(=O)N1CC[N@H+](C)C[C@H]1CO)[NH+](C)C ZINC000912740946 640189879 /nfs/dbraw/zinc/18/98/79/640189879.db2.gz HKIBKBLSQAWVHF-WDEREUQCSA-N 2 2 243.351 -0.539 20 0 BBADLP C[N@H+]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](CO)C1 ZINC000912741213 640188653 /nfs/dbraw/zinc/18/86/53/640188653.db2.gz OFUJRIYQHKWFDC-LLVKDONJSA-N 2 2 241.335 -0.783 20 0 BBADLP C[N@@H+]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](CO)C1 ZINC000912741213 640188648 /nfs/dbraw/zinc/18/86/48/640188648.db2.gz OFUJRIYQHKWFDC-LLVKDONJSA-N 2 2 241.335 -0.783 20 0 BBADLP C[N@H+]1CCN(C(=O)C[NH+]2CCCC2)[C@H](CO)C1 ZINC000912741214 640189508 /nfs/dbraw/zinc/18/95/08/640189508.db2.gz OFUJRIYQHKWFDC-NSHDSACASA-N 2 2 241.335 -0.783 20 0 BBADLP C[N@@H+]1CCN(C(=O)C[NH+]2CCCC2)[C@H](CO)C1 ZINC000912741214 640189504 /nfs/dbraw/zinc/18/95/04/640189504.db2.gz OFUJRIYQHKWFDC-NSHDSACASA-N 2 2 241.335 -0.783 20 0 BBADLP CC[NH+](CC)CC(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912743279 640192739 /nfs/dbraw/zinc/19/27/39/640192739.db2.gz STJXTDUMLSPVAX-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP CC[NH+](CC)CC(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912743279 640192737 /nfs/dbraw/zinc/19/27/37/640192737.db2.gz STJXTDUMLSPVAX-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP CC[NH+](CC)CC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912743280 640193058 /nfs/dbraw/zinc/19/30/58/640193058.db2.gz STJXTDUMLSPVAX-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP CC[NH+](CC)CC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912743280 640193049 /nfs/dbraw/zinc/19/30/49/640193049.db2.gz STJXTDUMLSPVAX-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP CCC[NH+](C)CC(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912743965 640194589 /nfs/dbraw/zinc/19/45/89/640194589.db2.gz KFIDOMMNRJTWQD-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP CCC[NH+](C)CC(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912743965 640194579 /nfs/dbraw/zinc/19/45/79/640194579.db2.gz KFIDOMMNRJTWQD-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](C)C[C@@H]1CO ZINC000912743965 640194570 /nfs/dbraw/zinc/19/45/70/640194570.db2.gz KFIDOMMNRJTWQD-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP CCC[N@H+](C)CC(=O)N1CC[NH+](C)C[C@@H]1CO ZINC000912743965 640194564 /nfs/dbraw/zinc/19/45/64/640194564.db2.gz KFIDOMMNRJTWQD-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP CCC[NH+](C)CC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912743966 640193887 /nfs/dbraw/zinc/19/38/87/640193887.db2.gz KFIDOMMNRJTWQD-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP CCC[NH+](C)CC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912743966 640193880 /nfs/dbraw/zinc/19/38/80/640193880.db2.gz KFIDOMMNRJTWQD-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](C)C[C@H]1CO ZINC000912743966 640193875 /nfs/dbraw/zinc/19/38/75/640193875.db2.gz KFIDOMMNRJTWQD-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP CCC[N@H+](C)CC(=O)N1CC[NH+](C)C[C@H]1CO ZINC000912743966 640193870 /nfs/dbraw/zinc/19/38/70/640193870.db2.gz KFIDOMMNRJTWQD-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP CC(C)[NH+](C)CC(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912747071 640194513 /nfs/dbraw/zinc/19/45/13/640194513.db2.gz YXDUHURVAMANML-LLVKDONJSA-N 2 2 243.351 -0.539 20 0 BBADLP CC(C)[NH+](C)CC(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912747071 640194507 /nfs/dbraw/zinc/19/45/07/640194507.db2.gz YXDUHURVAMANML-LLVKDONJSA-N 2 2 243.351 -0.539 20 0 BBADLP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C)C[C@@H]1CO ZINC000912747071 640194503 /nfs/dbraw/zinc/19/45/03/640194503.db2.gz YXDUHURVAMANML-LLVKDONJSA-N 2 2 243.351 -0.539 20 0 BBADLP CC(C)[N@H+](C)CC(=O)N1CC[NH+](C)C[C@@H]1CO ZINC000912747071 640194502 /nfs/dbraw/zinc/19/45/02/640194502.db2.gz YXDUHURVAMANML-LLVKDONJSA-N 2 2 243.351 -0.539 20 0 BBADLP CC(C)[NH+](C)CC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912747072 640193659 /nfs/dbraw/zinc/19/36/59/640193659.db2.gz YXDUHURVAMANML-NSHDSACASA-N 2 2 243.351 -0.539 20 0 BBADLP CC(C)[NH+](C)CC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912747072 640193656 /nfs/dbraw/zinc/19/36/56/640193656.db2.gz YXDUHURVAMANML-NSHDSACASA-N 2 2 243.351 -0.539 20 0 BBADLP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C)C[C@H]1CO ZINC000912747072 640193651 /nfs/dbraw/zinc/19/36/51/640193651.db2.gz YXDUHURVAMANML-NSHDSACASA-N 2 2 243.351 -0.539 20 0 BBADLP CC(C)[N@H+](C)CC(=O)N1CC[NH+](C)C[C@H]1CO ZINC000912747072 640193646 /nfs/dbraw/zinc/19/36/46/640193646.db2.gz YXDUHURVAMANML-NSHDSACASA-N 2 2 243.351 -0.539 20 0 BBADLP C[N@H+]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CO ZINC000913546961 640388749 /nfs/dbraw/zinc/38/87/49/640388749.db2.gz BHGUQVDNQUEXGW-LLVKDONJSA-N 2 2 241.335 -0.783 20 0 BBADLP C[N@@H+]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CO ZINC000913546961 640388743 /nfs/dbraw/zinc/38/87/43/640388743.db2.gz BHGUQVDNQUEXGW-LLVKDONJSA-N 2 2 241.335 -0.783 20 0 BBADLP C[N@H+]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CO ZINC000913546962 640388052 /nfs/dbraw/zinc/38/80/52/640388052.db2.gz BHGUQVDNQUEXGW-NSHDSACASA-N 2 2 241.335 -0.783 20 0 BBADLP C[N@@H+]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CO ZINC000913546962 640388038 /nfs/dbraw/zinc/38/80/38/640388038.db2.gz BHGUQVDNQUEXGW-NSHDSACASA-N 2 2 241.335 -0.783 20 0 BBADLP CC[C@H](C(=O)N1CC[N@@H+](C)[C@@H](CO)C1)[NH+](C)C ZINC000913547938 640390606 /nfs/dbraw/zinc/39/06/06/640390606.db2.gz ZJKKHLAYLUAODQ-GHMZBOCLSA-N 2 2 243.351 -0.539 20 0 BBADLP CC[C@H](C(=O)N1CC[N@H+](C)[C@@H](CO)C1)[NH+](C)C ZINC000913547938 640390600 /nfs/dbraw/zinc/39/06/00/640390600.db2.gz ZJKKHLAYLUAODQ-GHMZBOCLSA-N 2 2 243.351 -0.539 20 0 BBADLP CC[C@@H](C(=O)N1CC[N@@H+](C)[C@@H](CO)C1)[NH+](C)C ZINC000913547939 640390152 /nfs/dbraw/zinc/39/01/52/640390152.db2.gz ZJKKHLAYLUAODQ-MNOVXSKESA-N 2 2 243.351 -0.539 20 0 BBADLP CC[C@@H](C(=O)N1CC[N@H+](C)[C@@H](CO)C1)[NH+](C)C ZINC000913547939 640390145 /nfs/dbraw/zinc/39/01/45/640390145.db2.gz ZJKKHLAYLUAODQ-MNOVXSKESA-N 2 2 243.351 -0.539 20 0 BBADLP CC[C@@H](C(=O)N1CC[N@@H+](C)[C@H](CO)C1)[NH+](C)C ZINC000913547940 640389880 /nfs/dbraw/zinc/38/98/80/640389880.db2.gz ZJKKHLAYLUAODQ-QWRGUYRKSA-N 2 2 243.351 -0.539 20 0 BBADLP CC[C@@H](C(=O)N1CC[N@H+](C)[C@H](CO)C1)[NH+](C)C ZINC000913547940 640389877 /nfs/dbraw/zinc/38/98/77/640389877.db2.gz ZJKKHLAYLUAODQ-QWRGUYRKSA-N 2 2 243.351 -0.539 20 0 BBADLP CC[C@H](C(=O)N1CC[N@@H+](C)[C@H](CO)C1)[NH+](C)C ZINC000913547941 640390456 /nfs/dbraw/zinc/39/04/56/640390456.db2.gz ZJKKHLAYLUAODQ-WDEREUQCSA-N 2 2 243.351 -0.539 20 0 BBADLP CC[C@H](C(=O)N1CC[N@H+](C)[C@H](CO)C1)[NH+](C)C ZINC000913547941 640390451 /nfs/dbraw/zinc/39/04/51/640390451.db2.gz ZJKKHLAYLUAODQ-WDEREUQCSA-N 2 2 243.351 -0.539 20 0 BBADLP CC[NH+](CC)CC(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913548016 640394748 /nfs/dbraw/zinc/39/47/48/640394748.db2.gz ATFMLKUUZALOPX-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP CC[NH+](CC)CC(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913548016 640394746 /nfs/dbraw/zinc/39/47/46/640394746.db2.gz ATFMLKUUZALOPX-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP CC[NH+](CC)CC(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913548017 640397096 /nfs/dbraw/zinc/39/70/96/640397096.db2.gz ATFMLKUUZALOPX-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP CC[NH+](CC)CC(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913548017 640397089 /nfs/dbraw/zinc/39/70/89/640397089.db2.gz ATFMLKUUZALOPX-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP CCC[NH+](C)CC(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913548116 640395499 /nfs/dbraw/zinc/39/54/99/640395499.db2.gz DDIYMXNRJUQYHJ-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP CCC[NH+](C)CC(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913548116 640395493 /nfs/dbraw/zinc/39/54/93/640395493.db2.gz DDIYMXNRJUQYHJ-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](C)[C@@H](CO)C1 ZINC000913548116 640395488 /nfs/dbraw/zinc/39/54/88/640395488.db2.gz DDIYMXNRJUQYHJ-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP CCC[N@H+](C)CC(=O)N1CC[NH+](C)[C@@H](CO)C1 ZINC000913548116 640395482 /nfs/dbraw/zinc/39/54/82/640395482.db2.gz DDIYMXNRJUQYHJ-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP CCC[NH+](C)CC(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913548117 640396547 /nfs/dbraw/zinc/39/65/47/640396547.db2.gz DDIYMXNRJUQYHJ-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP CCC[NH+](C)CC(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913548117 640396543 /nfs/dbraw/zinc/39/65/43/640396543.db2.gz DDIYMXNRJUQYHJ-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](C)[C@H](CO)C1 ZINC000913548117 640396537 /nfs/dbraw/zinc/39/65/37/640396537.db2.gz DDIYMXNRJUQYHJ-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP CCC[N@H+](C)CC(=O)N1CC[NH+](C)[C@H](CO)C1 ZINC000913548117 640396531 /nfs/dbraw/zinc/39/65/31/640396531.db2.gz DDIYMXNRJUQYHJ-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP CC(C)[NH+](C)CC(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913551358 640395986 /nfs/dbraw/zinc/39/59/86/640395986.db2.gz ONJYVDGXJIENNE-LLVKDONJSA-N 2 2 243.351 -0.539 20 0 BBADLP CC(C)[NH+](C)CC(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913551358 640395982 /nfs/dbraw/zinc/39/59/82/640395982.db2.gz ONJYVDGXJIENNE-LLVKDONJSA-N 2 2 243.351 -0.539 20 0 BBADLP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C)[C@@H](CO)C1 ZINC000913551358 640395976 /nfs/dbraw/zinc/39/59/76/640395976.db2.gz ONJYVDGXJIENNE-LLVKDONJSA-N 2 2 243.351 -0.539 20 0 BBADLP CC(C)[NH+](C)CC(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913551359 640397738 /nfs/dbraw/zinc/39/77/38/640397738.db2.gz ONJYVDGXJIENNE-NSHDSACASA-N 2 2 243.351 -0.539 20 0 BBADLP CC(C)[NH+](C)CC(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913551359 640397732 /nfs/dbraw/zinc/39/77/32/640397732.db2.gz ONJYVDGXJIENNE-NSHDSACASA-N 2 2 243.351 -0.539 20 0 BBADLP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C)[C@H](CO)C1 ZINC000913551359 640397724 /nfs/dbraw/zinc/39/77/24/640397724.db2.gz ONJYVDGXJIENNE-NSHDSACASA-N 2 2 243.351 -0.539 20 0 BBADLP C[N@H+]1CCO[C@H](C(=O)NC23CC[NH+](CC2)C3)C1 ZINC000913631245 641429498 /nfs/dbraw/zinc/42/94/98/641429498.db2.gz SJRYJBQOWLMPDJ-JTQLQIEISA-N 2 2 239.319 -0.719 20 0 BBADLP C[N@@H+]1CCO[C@H](C(=O)NC23CC[NH+](CC2)C3)C1 ZINC000913631245 641429495 /nfs/dbraw/zinc/42/94/95/641429495.db2.gz SJRYJBQOWLMPDJ-JTQLQIEISA-N 2 2 239.319 -0.719 20 0 BBADLP C[N@H+]1CCO[C@@H](C(=O)NC23CC[NH+](CC2)C3)C1 ZINC000913631246 641429044 /nfs/dbraw/zinc/42/90/44/641429044.db2.gz SJRYJBQOWLMPDJ-SNVBAGLBSA-N 2 2 239.319 -0.719 20 0 BBADLP C[N@@H+]1CCO[C@@H](C(=O)NC23CC[NH+](CC2)C3)C1 ZINC000913631246 641429043 /nfs/dbraw/zinc/42/90/43/641429043.db2.gz SJRYJBQOWLMPDJ-SNVBAGLBSA-N 2 2 239.319 -0.719 20 0 BBADLP O=C(Cn1cc[nH+]c1)NC12CC[NH+](CC1)C2 ZINC000913631480 641428722 /nfs/dbraw/zinc/42/87/22/641428722.db2.gz XGAIBUPNVZLGAI-UHFFFAOYSA-N 2 2 220.276 -0.153 20 0 BBADLP C[NH+](C)CCNC(=S)NN1CC[NH+](C)CC1 ZINC000916114783 641909686 /nfs/dbraw/zinc/90/96/86/641909686.db2.gz BSDSCDGIVUUKEU-UHFFFAOYSA-N 2 2 245.396 -0.826 20 0 BBADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1CC[N@H+]1C ZINC000922515993 644005806 /nfs/dbraw/zinc/00/58/06/644005806.db2.gz NUFCAIJYXZPVQV-SECBINFHSA-N 2 2 237.307 -0.077 20 0 BBADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000922515993 644005798 /nfs/dbraw/zinc/00/57/98/644005798.db2.gz NUFCAIJYXZPVQV-SECBINFHSA-N 2 2 237.307 -0.077 20 0 BBADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000922515994 644005956 /nfs/dbraw/zinc/00/59/56/644005956.db2.gz NUFCAIJYXZPVQV-VIFPVBQESA-N 2 2 237.307 -0.077 20 0 BBADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000922515994 644005951 /nfs/dbraw/zinc/00/59/51/644005951.db2.gz NUFCAIJYXZPVQV-VIFPVBQESA-N 2 2 237.307 -0.077 20 0 BBADLP [NH3+][C@@H]1CC[N@@H+](C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000923274161 644306279 /nfs/dbraw/zinc/30/62/79/644306279.db2.gz IQOZASSWKNXLJW-GRYCIOLGSA-N 2 2 244.335 -0.424 20 0 BBADLP [NH3+][C@@H]1CC[N@H+](C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000923274161 644306273 /nfs/dbraw/zinc/30/62/73/644306273.db2.gz IQOZASSWKNXLJW-GRYCIOLGSA-N 2 2 244.335 -0.424 20 0 BBADLP [NH3+][C@@H]1CC[N@@H+](C[C@@H](O)COC[C@H]2CCCO2)C1 ZINC000923274162 644305673 /nfs/dbraw/zinc/30/56/73/644305673.db2.gz IQOZASSWKNXLJW-IJLUTSLNSA-N 2 2 244.335 -0.424 20 0 BBADLP [NH3+][C@@H]1CC[N@H+](C[C@@H](O)COC[C@H]2CCCO2)C1 ZINC000923274162 644305666 /nfs/dbraw/zinc/30/56/66/644305666.db2.gz IQOZASSWKNXLJW-IJLUTSLNSA-N 2 2 244.335 -0.424 20 0 BBADLP [NH3+][C@@H]1CC[N@@H+](C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000923274163 644307408 /nfs/dbraw/zinc/30/74/08/644307408.db2.gz IQOZASSWKNXLJW-UTUOFQBUSA-N 2 2 244.335 -0.424 20 0 BBADLP [NH3+][C@@H]1CC[N@H+](C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000923274163 644307402 /nfs/dbraw/zinc/30/74/02/644307402.db2.gz IQOZASSWKNXLJW-UTUOFQBUSA-N 2 2 244.335 -0.424 20 0 BBADLP [NH3+][C@@H]1CC[N@@H+](C[C@H](O)COC[C@@H]2CCCO2)C1 ZINC000923274164 644306945 /nfs/dbraw/zinc/30/69/45/644306945.db2.gz IQOZASSWKNXLJW-WOPDTQHZSA-N 2 2 244.335 -0.424 20 0 BBADLP [NH3+][C@@H]1CC[N@H+](C[C@H](O)COC[C@@H]2CCCO2)C1 ZINC000923274164 644306941 /nfs/dbraw/zinc/30/69/41/644306941.db2.gz IQOZASSWKNXLJW-WOPDTQHZSA-N 2 2 244.335 -0.424 20 0 BBADLP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCC[NH2+]CC1 ZINC000923277681 644309295 /nfs/dbraw/zinc/30/92/95/644309295.db2.gz KDJWDMPZOIGLSK-LLVKDONJSA-N 3 2 225.336 -0.340 20 0 BBADLP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCC[NH2+]CC1 ZINC000923277681 644309287 /nfs/dbraw/zinc/30/92/87/644309287.db2.gz KDJWDMPZOIGLSK-LLVKDONJSA-N 3 2 225.336 -0.340 20 0 BBADLP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCC[NH2+]CC1 ZINC000923277682 644308740 /nfs/dbraw/zinc/30/87/40/644308740.db2.gz KDJWDMPZOIGLSK-NSHDSACASA-N 3 2 225.336 -0.340 20 0 BBADLP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCC[NH2+]CC1 ZINC000923277682 644308736 /nfs/dbraw/zinc/30/87/36/644308736.db2.gz KDJWDMPZOIGLSK-NSHDSACASA-N 3 2 225.336 -0.340 20 0 BBADLP CCOCC[C@@H](O)C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000923278510 644312868 /nfs/dbraw/zinc/31/28/68/644312868.db2.gz UOAJHFIMTUGLER-NXEZZACHSA-N 2 2 202.298 -0.193 20 0 BBADLP CCOCC[C@@H](O)C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000923278510 644312865 /nfs/dbraw/zinc/31/28/65/644312865.db2.gz UOAJHFIMTUGLER-NXEZZACHSA-N 2 2 202.298 -0.193 20 0 BBADLP CCOCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000923278512 644310796 /nfs/dbraw/zinc/31/07/96/644310796.db2.gz UOAJHFIMTUGLER-ZJUUUORDSA-N 2 2 202.298 -0.193 20 0 BBADLP CCOCC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000923278512 644310791 /nfs/dbraw/zinc/31/07/91/644310791.db2.gz UOAJHFIMTUGLER-ZJUUUORDSA-N 2 2 202.298 -0.193 20 0 BBADLP [NH3+][C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000923280814 644315200 /nfs/dbraw/zinc/31/52/00/644315200.db2.gz JMTYHQJXNSUDDI-GHMZBOCLSA-N 2 2 224.308 -0.333 20 0 BBADLP [NH3+][C@@H]1CCC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000923280814 644315193 /nfs/dbraw/zinc/31/51/93/644315193.db2.gz JMTYHQJXNSUDDI-GHMZBOCLSA-N 2 2 224.308 -0.333 20 0 BBADLP [NH3+][C@@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000923280815 644314007 /nfs/dbraw/zinc/31/40/07/644314007.db2.gz JMTYHQJXNSUDDI-MNOVXSKESA-N 2 2 224.308 -0.333 20 0 BBADLP [NH3+][C@@H]1CCC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC000923280815 644314000 /nfs/dbraw/zinc/31/40/00/644314000.db2.gz JMTYHQJXNSUDDI-MNOVXSKESA-N 2 2 224.308 -0.333 20 0 BBADLP [NH3+][C@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000923280816 644314702 /nfs/dbraw/zinc/31/47/02/644314702.db2.gz JMTYHQJXNSUDDI-QWRGUYRKSA-N 2 2 224.308 -0.333 20 0 BBADLP [NH3+][C@H]1CCC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC000923280816 644314698 /nfs/dbraw/zinc/31/46/98/644314698.db2.gz JMTYHQJXNSUDDI-QWRGUYRKSA-N 2 2 224.308 -0.333 20 0 BBADLP [NH3+][C@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000923280817 644316047 /nfs/dbraw/zinc/31/60/47/644316047.db2.gz JMTYHQJXNSUDDI-WDEREUQCSA-N 2 2 224.308 -0.333 20 0 BBADLP [NH3+][C@H]1CCC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000923280817 644316045 /nfs/dbraw/zinc/31/60/45/644316045.db2.gz JMTYHQJXNSUDDI-WDEREUQCSA-N 2 2 224.308 -0.333 20 0 BBADLP [NH3+][C@@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923280822 644316113 /nfs/dbraw/zinc/31/61/13/644316113.db2.gz JOKZNJMIVUHJQS-GHMZBOCLSA-N 3 2 225.336 -0.212 20 0 BBADLP [NH3+][C@@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923280822 644316110 /nfs/dbraw/zinc/31/61/10/644316110.db2.gz JOKZNJMIVUHJQS-GHMZBOCLSA-N 3 2 225.336 -0.212 20 0 BBADLP [NH3+][C@@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923280823 644314491 /nfs/dbraw/zinc/31/44/91/644314491.db2.gz JOKZNJMIVUHJQS-MNOVXSKESA-N 3 2 225.336 -0.212 20 0 BBADLP [NH3+][C@@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923280823 644314486 /nfs/dbraw/zinc/31/44/86/644314486.db2.gz JOKZNJMIVUHJQS-MNOVXSKESA-N 3 2 225.336 -0.212 20 0 BBADLP [NH3+][C@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923280824 644314597 /nfs/dbraw/zinc/31/45/97/644314597.db2.gz JOKZNJMIVUHJQS-QWRGUYRKSA-N 3 2 225.336 -0.212 20 0 BBADLP [NH3+][C@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923280824 644314592 /nfs/dbraw/zinc/31/45/92/644314592.db2.gz JOKZNJMIVUHJQS-QWRGUYRKSA-N 3 2 225.336 -0.212 20 0 BBADLP [NH3+][C@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923280825 644315999 /nfs/dbraw/zinc/31/59/99/644315999.db2.gz JOKZNJMIVUHJQS-WDEREUQCSA-N 3 2 225.336 -0.212 20 0 BBADLP [NH3+][C@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923280825 644315997 /nfs/dbraw/zinc/31/59/97/644315997.db2.gz JOKZNJMIVUHJQS-WDEREUQCSA-N 3 2 225.336 -0.212 20 0 BBADLP CCOCC[C@H](O)C[N@H+]1CC[C@H]([NH3+])C1 ZINC000923282248 644315474 /nfs/dbraw/zinc/31/54/74/644315474.db2.gz UOAJHFIMTUGLER-UWVGGRQHSA-N 2 2 202.298 -0.193 20 0 BBADLP CCOCC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000923282248 644315472 /nfs/dbraw/zinc/31/54/72/644315472.db2.gz UOAJHFIMTUGLER-UWVGGRQHSA-N 2 2 202.298 -0.193 20 0 BBADLP CCOCC[C@@H](O)C[N@H+]1CC[C@H]([NH3+])C1 ZINC000923282249 644313844 /nfs/dbraw/zinc/31/38/44/644313844.db2.gz UOAJHFIMTUGLER-VHSXEESVSA-N 2 2 202.298 -0.193 20 0 BBADLP CCOCC[C@@H](O)C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000923282249 644313839 /nfs/dbraw/zinc/31/38/39/644313839.db2.gz UOAJHFIMTUGLER-VHSXEESVSA-N 2 2 202.298 -0.193 20 0 BBADLP C[C@H](C[NH3+])[N@@H+](C)C[C@@H](O)COC1CCOCC1 ZINC000923288730 644322821 /nfs/dbraw/zinc/32/28/21/644322821.db2.gz AIONMYCLBSTEGF-GHMZBOCLSA-N 2 2 246.351 -0.178 20 0 BBADLP C[C@H](C[NH3+])[N@H+](C)C[C@@H](O)COC1CCOCC1 ZINC000923288730 644322818 /nfs/dbraw/zinc/32/28/18/644322818.db2.gz AIONMYCLBSTEGF-GHMZBOCLSA-N 2 2 246.351 -0.178 20 0 BBADLP C[C@H](C[NH3+])[N@@H+](C)C[C@H](O)COC1CCOCC1 ZINC000923288732 644324100 /nfs/dbraw/zinc/32/41/00/644324100.db2.gz AIONMYCLBSTEGF-MNOVXSKESA-N 2 2 246.351 -0.178 20 0 BBADLP C[C@H](C[NH3+])[N@H+](C)C[C@H](O)COC1CCOCC1 ZINC000923288732 644324093 /nfs/dbraw/zinc/32/40/93/644324093.db2.gz AIONMYCLBSTEGF-MNOVXSKESA-N 2 2 246.351 -0.178 20 0 BBADLP C[C@@H](C[NH3+])[N@@H+](C)C[C@H](O)COC1CCOCC1 ZINC000923288733 644322071 /nfs/dbraw/zinc/32/20/71/644322071.db2.gz AIONMYCLBSTEGF-QWRGUYRKSA-N 2 2 246.351 -0.178 20 0 BBADLP C[C@@H](C[NH3+])[N@H+](C)C[C@H](O)COC1CCOCC1 ZINC000923288733 644322062 /nfs/dbraw/zinc/32/20/62/644322062.db2.gz AIONMYCLBSTEGF-QWRGUYRKSA-N 2 2 246.351 -0.178 20 0 BBADLP C[C@@H](C[NH3+])[N@@H+](C)C[C@@H](O)COC1CCOCC1 ZINC000923288734 644322595 /nfs/dbraw/zinc/32/25/95/644322595.db2.gz AIONMYCLBSTEGF-WDEREUQCSA-N 2 2 246.351 -0.178 20 0 BBADLP C[C@@H](C[NH3+])[N@H+](C)C[C@@H](O)COC1CCOCC1 ZINC000923288734 644322591 /nfs/dbraw/zinc/32/25/91/644322591.db2.gz AIONMYCLBSTEGF-WDEREUQCSA-N 2 2 246.351 -0.178 20 0 BBADLP C[C@H](C[NH3+])[N@@H+](C)C[C@H](O)COC[C@H]1CCCO1 ZINC000923289295 644324520 /nfs/dbraw/zinc/32/45/20/644324520.db2.gz GUBJGPLBKZEAOA-GRYCIOLGSA-N 2 2 246.351 -0.178 20 0 BBADLP C[C@H](C[NH3+])[N@H+](C)C[C@H](O)COC[C@H]1CCCO1 ZINC000923289295 644324518 /nfs/dbraw/zinc/32/45/18/644324518.db2.gz GUBJGPLBKZEAOA-GRYCIOLGSA-N 2 2 246.351 -0.178 20 0 BBADLP C[C@H](C[NH3+])[N@@H+](C)C[C@@H](O)COC[C@H]1CCCO1 ZINC000923289296 644323794 /nfs/dbraw/zinc/32/37/94/644323794.db2.gz GUBJGPLBKZEAOA-IJLUTSLNSA-N 2 2 246.351 -0.178 20 0 BBADLP C[C@H](C[NH3+])[N@H+](C)C[C@@H](O)COC[C@H]1CCCO1 ZINC000923289296 644323787 /nfs/dbraw/zinc/32/37/87/644323787.db2.gz GUBJGPLBKZEAOA-IJLUTSLNSA-N 2 2 246.351 -0.178 20 0 BBADLP C[C@H](C[NH3+])[N@@H+](C)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000923289298 644324494 /nfs/dbraw/zinc/32/44/94/644324494.db2.gz GUBJGPLBKZEAOA-UTUOFQBUSA-N 2 2 246.351 -0.178 20 0 BBADLP C[C@H](C[NH3+])[N@H+](C)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000923289298 644324492 /nfs/dbraw/zinc/32/44/92/644324492.db2.gz GUBJGPLBKZEAOA-UTUOFQBUSA-N 2 2 246.351 -0.178 20 0 BBADLP C[C@H](C[NH3+])[N@@H+](C)C[C@H](O)COC[C@@H]1CCCO1 ZINC000923289300 644322866 /nfs/dbraw/zinc/32/28/66/644322866.db2.gz GUBJGPLBKZEAOA-WOPDTQHZSA-N 2 2 246.351 -0.178 20 0 BBADLP C[C@H](C[NH3+])[N@H+](C)C[C@H](O)COC[C@@H]1CCCO1 ZINC000923289300 644322862 /nfs/dbraw/zinc/32/28/62/644322862.db2.gz GUBJGPLBKZEAOA-WOPDTQHZSA-N 2 2 246.351 -0.178 20 0 BBADLP C[C@H](C[NH3+])[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923289794 644323558 /nfs/dbraw/zinc/32/35/58/644323558.db2.gz MBBHFCBYNKBJNX-NXEZZACHSA-N 3 2 213.325 -0.356 20 0 BBADLP C[C@H](C[NH3+])[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923289794 644323553 /nfs/dbraw/zinc/32/35/53/644323553.db2.gz MBBHFCBYNKBJNX-NXEZZACHSA-N 3 2 213.325 -0.356 20 0 BBADLP C[C@@H](C[NH3+])[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923289795 644322313 /nfs/dbraw/zinc/32/23/13/644322313.db2.gz MBBHFCBYNKBJNX-UWVGGRQHSA-N 3 2 213.325 -0.356 20 0 BBADLP C[C@@H](C[NH3+])[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923289795 644322309 /nfs/dbraw/zinc/32/23/09/644322309.db2.gz MBBHFCBYNKBJNX-UWVGGRQHSA-N 3 2 213.325 -0.356 20 0 BBADLP C[C@@H](C[NH3+])[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923290589 644325466 /nfs/dbraw/zinc/32/54/66/644325466.db2.gz MBBHFCBYNKBJNX-VHSXEESVSA-N 3 2 213.325 -0.356 20 0 BBADLP C[C@@H](C[NH3+])[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923290589 644325460 /nfs/dbraw/zinc/32/54/60/644325460.db2.gz MBBHFCBYNKBJNX-VHSXEESVSA-N 3 2 213.325 -0.356 20 0 BBADLP C[C@H](C[NH3+])[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923290590 644325252 /nfs/dbraw/zinc/32/52/52/644325252.db2.gz MBBHFCBYNKBJNX-ZJUUUORDSA-N 3 2 213.325 -0.356 20 0 BBADLP C[C@H](C[NH3+])[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923290590 644325245 /nfs/dbraw/zinc/32/52/45/644325245.db2.gz MBBHFCBYNKBJNX-ZJUUUORDSA-N 3 2 213.325 -0.356 20 0 BBADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923292167 644328017 /nfs/dbraw/zinc/32/80/17/644328017.db2.gz HOPRKSPTHHKAJN-GHMZBOCLSA-N 3 2 225.336 -0.212 20 0 BBADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923292167 644328013 /nfs/dbraw/zinc/32/80/13/644328013.db2.gz HOPRKSPTHHKAJN-GHMZBOCLSA-N 3 2 225.336 -0.212 20 0 BBADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923292169 644329313 /nfs/dbraw/zinc/32/93/13/644329313.db2.gz HOPRKSPTHHKAJN-MNOVXSKESA-N 3 2 225.336 -0.212 20 0 BBADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923292169 644329307 /nfs/dbraw/zinc/32/93/07/644329307.db2.gz HOPRKSPTHHKAJN-MNOVXSKESA-N 3 2 225.336 -0.212 20 0 BBADLP [NH3+]C[C@@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923292171 644330532 /nfs/dbraw/zinc/33/05/32/644330532.db2.gz HOPRKSPTHHKAJN-QWRGUYRKSA-N 3 2 225.336 -0.212 20 0 BBADLP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923292171 644330528 /nfs/dbraw/zinc/33/05/28/644330528.db2.gz HOPRKSPTHHKAJN-QWRGUYRKSA-N 3 2 225.336 -0.212 20 0 BBADLP [NH3+]C[C@@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923292172 644329539 /nfs/dbraw/zinc/32/95/39/644329539.db2.gz HOPRKSPTHHKAJN-WDEREUQCSA-N 3 2 225.336 -0.212 20 0 BBADLP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923292172 644329535 /nfs/dbraw/zinc/32/95/35/644329535.db2.gz HOPRKSPTHHKAJN-WDEREUQCSA-N 3 2 225.336 -0.212 20 0 BBADLP C[C@H](C[NH3+])[N@@H+](C)C[C@@H](O)Cn1cccn1 ZINC000923292397 644328979 /nfs/dbraw/zinc/32/89/79/644328979.db2.gz XOUNQOUXWPNOSX-NXEZZACHSA-N 2 2 212.297 -0.477 20 0 BBADLP C[C@H](C[NH3+])[N@H+](C)C[C@@H](O)Cn1cccn1 ZINC000923292397 644328976 /nfs/dbraw/zinc/32/89/76/644328976.db2.gz XOUNQOUXWPNOSX-NXEZZACHSA-N 2 2 212.297 -0.477 20 0 BBADLP C[C@@H](C[NH3+])[N@@H+](C)C[C@H](O)Cn1cccn1 ZINC000923292398 644329611 /nfs/dbraw/zinc/32/96/11/644329611.db2.gz XOUNQOUXWPNOSX-UWVGGRQHSA-N 2 2 212.297 -0.477 20 0 BBADLP C[C@@H](C[NH3+])[N@H+](C)C[C@H](O)Cn1cccn1 ZINC000923292398 644329599 /nfs/dbraw/zinc/32/95/99/644329599.db2.gz XOUNQOUXWPNOSX-UWVGGRQHSA-N 2 2 212.297 -0.477 20 0 BBADLP C[C@@H](C[NH3+])[N@@H+](C)C[C@@H](O)Cn1cccn1 ZINC000923292399 644328342 /nfs/dbraw/zinc/32/83/42/644328342.db2.gz XOUNQOUXWPNOSX-VHSXEESVSA-N 2 2 212.297 -0.477 20 0 BBADLP C[C@@H](C[NH3+])[N@H+](C)C[C@@H](O)Cn1cccn1 ZINC000923292399 644328336 /nfs/dbraw/zinc/32/83/36/644328336.db2.gz XOUNQOUXWPNOSX-VHSXEESVSA-N 2 2 212.297 -0.477 20 0 BBADLP C[C@H](C[NH3+])[N@@H+](C)C[C@H](O)Cn1cccn1 ZINC000923292400 644329676 /nfs/dbraw/zinc/32/96/76/644329676.db2.gz XOUNQOUXWPNOSX-ZJUUUORDSA-N 2 2 212.297 -0.477 20 0 BBADLP C[C@H](C[NH3+])[N@H+](C)C[C@H](O)Cn1cccn1 ZINC000923292400 644329673 /nfs/dbraw/zinc/32/96/73/644329673.db2.gz XOUNQOUXWPNOSX-ZJUUUORDSA-N 2 2 212.297 -0.477 20 0 BBADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000923293411 644329036 /nfs/dbraw/zinc/32/90/36/644329036.db2.gz VGYYTJYANHSGQM-GHMZBOCLSA-N 2 2 224.308 -0.333 20 0 BBADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000923293411 644329032 /nfs/dbraw/zinc/32/90/32/644329032.db2.gz VGYYTJYANHSGQM-GHMZBOCLSA-N 2 2 224.308 -0.333 20 0 BBADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000923293412 644328375 /nfs/dbraw/zinc/32/83/75/644328375.db2.gz VGYYTJYANHSGQM-MNOVXSKESA-N 2 2 224.308 -0.333 20 0 BBADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000923293412 644328368 /nfs/dbraw/zinc/32/83/68/644328368.db2.gz VGYYTJYANHSGQM-MNOVXSKESA-N 2 2 224.308 -0.333 20 0 BBADLP [NH3+]C[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000923293413 644329645 /nfs/dbraw/zinc/32/96/45/644329645.db2.gz VGYYTJYANHSGQM-QWRGUYRKSA-N 2 2 224.308 -0.333 20 0 BBADLP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000923293413 644329638 /nfs/dbraw/zinc/32/96/38/644329638.db2.gz VGYYTJYANHSGQM-QWRGUYRKSA-N 2 2 224.308 -0.333 20 0 BBADLP [NH3+]C[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000923293414 644329992 /nfs/dbraw/zinc/32/99/92/644329992.db2.gz VGYYTJYANHSGQM-WDEREUQCSA-N 2 2 224.308 -0.333 20 0 BBADLP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000923293414 644329986 /nfs/dbraw/zinc/32/99/86/644329986.db2.gz VGYYTJYANHSGQM-WDEREUQCSA-N 2 2 224.308 -0.333 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000923294201 644331853 /nfs/dbraw/zinc/33/18/53/644331853.db2.gz FPKCMBFENVPCSQ-NEPJUHHUSA-N 2 2 238.335 -0.072 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000923294201 644331848 /nfs/dbraw/zinc/33/18/48/644331848.db2.gz FPKCMBFENVPCSQ-NEPJUHHUSA-N 2 2 238.335 -0.072 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000923294202 644332574 /nfs/dbraw/zinc/33/25/74/644332574.db2.gz FPKCMBFENVPCSQ-NWDGAFQWSA-N 2 2 238.335 -0.072 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000923294202 644332566 /nfs/dbraw/zinc/33/25/66/644332566.db2.gz FPKCMBFENVPCSQ-NWDGAFQWSA-N 2 2 238.335 -0.072 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000923294203 644333314 /nfs/dbraw/zinc/33/33/14/644333314.db2.gz FPKCMBFENVPCSQ-RYUDHWBXSA-N 2 2 238.335 -0.072 20 0 BBADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000923294203 644333311 /nfs/dbraw/zinc/33/33/11/644333311.db2.gz FPKCMBFENVPCSQ-RYUDHWBXSA-N 2 2 238.335 -0.072 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000923294204 644333600 /nfs/dbraw/zinc/33/36/00/644333600.db2.gz FPKCMBFENVPCSQ-VXGBXAGGSA-N 2 2 238.335 -0.072 20 0 BBADLP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000923294204 644333594 /nfs/dbraw/zinc/33/35/94/644333594.db2.gz FPKCMBFENVPCSQ-VXGBXAGGSA-N 2 2 238.335 -0.072 20 0 BBADLP CCN(CC)C(=O)C[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923299765 644326137 /nfs/dbraw/zinc/32/61/37/644326137.db2.gz ZBTMYUYWPXDNSQ-DCAQKATOSA-N 2 2 243.351 -0.363 20 0 BBADLP CCN(CC)C(=O)C[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923299765 644326136 /nfs/dbraw/zinc/32/61/36/644326136.db2.gz ZBTMYUYWPXDNSQ-DCAQKATOSA-N 2 2 243.351 -0.363 20 0 BBADLP CC(C)NC(=O)C[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923300797 644337989 /nfs/dbraw/zinc/33/79/89/644337989.db2.gz AMNFHRCUJLHZIG-GUBZILKMSA-N 2 2 229.324 -0.707 20 0 BBADLP CC(C)NC(=O)C[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923300797 644337985 /nfs/dbraw/zinc/33/79/85/644337985.db2.gz AMNFHRCUJLHZIG-GUBZILKMSA-N 2 2 229.324 -0.707 20 0 BBADLP C[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923301433 644337062 /nfs/dbraw/zinc/33/70/62/644337062.db2.gz JKUOLAKLLOMSNO-KATARQTJSA-N 2 2 200.282 -0.442 20 0 BBADLP C[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923301433 644337061 /nfs/dbraw/zinc/33/70/61/644337061.db2.gz JKUOLAKLLOMSNO-KATARQTJSA-N 2 2 200.282 -0.442 20 0 BBADLP C[C@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923301489 644338948 /nfs/dbraw/zinc/33/89/48/644338948.db2.gz JKUOLAKLLOMSNO-XKNYDFJKSA-N 2 2 200.282 -0.442 20 0 BBADLP C[C@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923301489 644338940 /nfs/dbraw/zinc/33/89/40/644338940.db2.gz JKUOLAKLLOMSNO-XKNYDFJKSA-N 2 2 200.282 -0.442 20 0 BBADLP C[N@@H+](CC(=O)N1CCCC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923301525 644339059 /nfs/dbraw/zinc/33/90/59/644339059.db2.gz KLFORFAGNYBVEI-DCAQKATOSA-N 2 2 241.335 -0.609 20 0 BBADLP C[N@H+](CC(=O)N1CCCC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923301525 644339054 /nfs/dbraw/zinc/33/90/54/644339054.db2.gz KLFORFAGNYBVEI-DCAQKATOSA-N 2 2 241.335 -0.609 20 0 BBADLP C[N@@H+](CC(=O)NC(C)(C)C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923301609 644338174 /nfs/dbraw/zinc/33/81/74/644338174.db2.gz INYPITWNDQWGMA-GUBZILKMSA-N 2 2 243.351 -0.317 20 0 BBADLP C[N@H+](CC(=O)NC(C)(C)C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923301609 644338172 /nfs/dbraw/zinc/33/81/72/644338172.db2.gz INYPITWNDQWGMA-GUBZILKMSA-N 2 2 243.351 -0.317 20 0 BBADLP C[N@@H+](CC(=O)NC1CC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923301951 644337156 /nfs/dbraw/zinc/33/71/56/644337156.db2.gz LVMGIALTZZIBKV-HGNGGELXSA-N 2 2 227.308 -0.953 20 0 BBADLP C[N@H+](CC(=O)NC1CC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923301951 644337153 /nfs/dbraw/zinc/33/71/53/644337153.db2.gz LVMGIALTZZIBKV-HGNGGELXSA-N 2 2 227.308 -0.953 20 0 BBADLP CC[N@@H+](CC(=O)N(C)C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923303335 644339731 /nfs/dbraw/zinc/33/97/31/644339731.db2.gz BYYJXRUVKPLIRL-GUBZILKMSA-N 2 2 229.324 -0.753 20 0 BBADLP CC[N@H+](CC(=O)N(C)C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923303335 644339723 /nfs/dbraw/zinc/33/97/23/644339723.db2.gz BYYJXRUVKPLIRL-GUBZILKMSA-N 2 2 229.324 -0.753 20 0 BBADLP CCNC(=O)C[N@@H+](CC)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923307969 644337820 /nfs/dbraw/zinc/33/78/20/644337820.db2.gz YCKDZYSZOXKDHH-GUBZILKMSA-N 2 2 229.324 -0.705 20 0 BBADLP CCNC(=O)C[N@H+](CC)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923307969 644337815 /nfs/dbraw/zinc/33/78/15/644337815.db2.gz YCKDZYSZOXKDHH-GUBZILKMSA-N 2 2 229.324 -0.705 20 0 BBADLP C[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923311365 644347441 /nfs/dbraw/zinc/34/74/41/644347441.db2.gz VVWSQWSKQPLCMF-NXEZZACHSA-N 2 2 239.319 -0.815 20 0 BBADLP C[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923311365 644347439 /nfs/dbraw/zinc/34/74/39/644347439.db2.gz VVWSQWSKQPLCMF-NXEZZACHSA-N 2 2 239.319 -0.815 20 0 BBADLP C[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923311366 644346726 /nfs/dbraw/zinc/34/67/26/644346726.db2.gz VVWSQWSKQPLCMF-UWVGGRQHSA-N 2 2 239.319 -0.815 20 0 BBADLP C[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923311366 644346725 /nfs/dbraw/zinc/34/67/25/644346725.db2.gz VVWSQWSKQPLCMF-UWVGGRQHSA-N 2 2 239.319 -0.815 20 0 BBADLP C[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923311367 644346176 /nfs/dbraw/zinc/34/61/76/644346176.db2.gz VVWSQWSKQPLCMF-VHSXEESVSA-N 2 2 239.319 -0.815 20 0 BBADLP C[C@H]1C(=O)NCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923311367 644346168 /nfs/dbraw/zinc/34/61/68/644346168.db2.gz VVWSQWSKQPLCMF-VHSXEESVSA-N 2 2 239.319 -0.815 20 0 BBADLP C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923311368 644347745 /nfs/dbraw/zinc/34/77/45/644347745.db2.gz VVWSQWSKQPLCMF-ZJUUUORDSA-N 2 2 239.319 -0.815 20 0 BBADLP C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923311368 644347742 /nfs/dbraw/zinc/34/77/42/644347742.db2.gz VVWSQWSKQPLCMF-ZJUUUORDSA-N 2 2 239.319 -0.815 20 0 BBADLP CN1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1=O ZINC000923317687 644342662 /nfs/dbraw/zinc/34/26/62/644342662.db2.gz VKSRIMQBOIYSFM-JTQLQIEISA-N 2 2 239.319 -0.861 20 0 BBADLP CN1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1=O ZINC000923317687 644342655 /nfs/dbraw/zinc/34/26/55/644342655.db2.gz VKSRIMQBOIYSFM-JTQLQIEISA-N 2 2 239.319 -0.861 20 0 BBADLP CN1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1=O ZINC000923317690 644343761 /nfs/dbraw/zinc/34/37/61/644343761.db2.gz VKSRIMQBOIYSFM-SNVBAGLBSA-N 2 2 239.319 -0.861 20 0 BBADLP CN1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1=O ZINC000923317690 644343758 /nfs/dbraw/zinc/34/37/58/644343758.db2.gz VKSRIMQBOIYSFM-SNVBAGLBSA-N 2 2 239.319 -0.861 20 0 BBADLP C[N@@H+](Cc1cnccn1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923323450 644353028 /nfs/dbraw/zinc/35/30/28/644353028.db2.gz ZABHHXTTXFRCFB-LSJOCFKGSA-N 2 2 222.292 -0.241 20 0 BBADLP C[N@H+](Cc1cnccn1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923323450 644353022 /nfs/dbraw/zinc/35/30/22/644353022.db2.gz ZABHHXTTXFRCFB-LSJOCFKGSA-N 2 2 222.292 -0.241 20 0 BBADLP CCOCCOCC[NH2+][C@H]1CC[NH2+]C1 ZINC000923325781 644352813 /nfs/dbraw/zinc/35/28/13/644352813.db2.gz CENCQKRGJJVVIU-JTQLQIEISA-N 2 2 202.298 -0.009 20 0 BBADLP CCOCCOCC[NH2+][C@@H]1CC[NH2+]C1 ZINC000923325782 644352324 /nfs/dbraw/zinc/35/23/24/644352324.db2.gz CENCQKRGJJVVIU-SNVBAGLBSA-N 2 2 202.298 -0.009 20 0 BBADLP C(CO[C@@H]1CCOC1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000923326220 644351562 /nfs/dbraw/zinc/35/15/62/644351562.db2.gz GJDDDKNVIHCLOD-NXEZZACHSA-N 2 2 200.282 -0.257 20 0 BBADLP C(CO[C@H]1CCOC1)[NH2+][C@H]1CC[NH2+]C1 ZINC000923326221 644352224 /nfs/dbraw/zinc/35/22/24/644352224.db2.gz GJDDDKNVIHCLOD-UWVGGRQHSA-N 2 2 200.282 -0.257 20 0 BBADLP C(CO[C@@H]1CCOC1)[NH2+][C@H]1CC[NH2+]C1 ZINC000923326222 644352790 /nfs/dbraw/zinc/35/27/90/644352790.db2.gz GJDDDKNVIHCLOD-VHSXEESVSA-N 2 2 200.282 -0.257 20 0 BBADLP C(CO[C@H]1CCOC1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000923326224 644351631 /nfs/dbraw/zinc/35/16/31/644351631.db2.gz GJDDDKNVIHCLOD-ZJUUUORDSA-N 2 2 200.282 -0.257 20 0 BBADLP [NH3+][C@H]1CC[N@@H+](C[C@@H](O)COC[C@H]2CCCO2)C1 ZINC000923329414 644349531 /nfs/dbraw/zinc/34/95/31/644349531.db2.gz IQOZASSWKNXLJW-QJPTWQEYSA-N 2 2 244.335 -0.424 20 0 BBADLP [NH3+][C@H]1CC[N@H+](C[C@@H](O)COC[C@H]2CCCO2)C1 ZINC000923329414 644349527 /nfs/dbraw/zinc/34/95/27/644349527.db2.gz IQOZASSWKNXLJW-QJPTWQEYSA-N 2 2 244.335 -0.424 20 0 BBADLP [NH3+][C@H]1CC[N@@H+](C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000923329415 644348702 /nfs/dbraw/zinc/34/87/02/644348702.db2.gz IQOZASSWKNXLJW-SDDRHHMPSA-N 2 2 244.335 -0.424 20 0 BBADLP [NH3+][C@H]1CC[N@H+](C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000923329415 644348695 /nfs/dbraw/zinc/34/86/95/644348695.db2.gz IQOZASSWKNXLJW-SDDRHHMPSA-N 2 2 244.335 -0.424 20 0 BBADLP [NH3+][C@H]1CC[N@@H+](C[C@H](O)COC[C@@H]2CCCO2)C1 ZINC000923329416 644349362 /nfs/dbraw/zinc/34/93/62/644349362.db2.gz IQOZASSWKNXLJW-SRVKXCTJSA-N 2 2 244.335 -0.424 20 0 BBADLP [NH3+][C@H]1CC[N@H+](C[C@H](O)COC[C@@H]2CCCO2)C1 ZINC000923329416 644349354 /nfs/dbraw/zinc/34/93/54/644349354.db2.gz IQOZASSWKNXLJW-SRVKXCTJSA-N 2 2 244.335 -0.424 20 0 BBADLP [NH3+][C@H]1CC[N@@H+](C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000923329417 644350021 /nfs/dbraw/zinc/35/00/21/644350021.db2.gz IQOZASSWKNXLJW-TUAOUCFPSA-N 2 2 244.335 -0.424 20 0 BBADLP [NH3+][C@H]1CC[N@H+](C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000923329417 644350012 /nfs/dbraw/zinc/35/00/12/644350012.db2.gz IQOZASSWKNXLJW-TUAOUCFPSA-N 2 2 244.335 -0.424 20 0 BBADLP CC(C)OCC[C@@H](O)C[N@@H+](CC[NH3+])CCO ZINC000923331000 644350457 /nfs/dbraw/zinc/35/04/57/644350457.db2.gz GLGRTLIYVTXYRN-LLVKDONJSA-N 2 2 234.340 -0.585 20 0 BBADLP CC(C)OCC[C@@H](O)C[N@H+](CC[NH3+])CCO ZINC000923331000 644350452 /nfs/dbraw/zinc/35/04/52/644350452.db2.gz GLGRTLIYVTXYRN-LLVKDONJSA-N 2 2 234.340 -0.585 20 0 BBADLP CC(C)OCC[C@H](O)C[N@@H+](CC[NH3+])CCO ZINC000923331001 644349025 /nfs/dbraw/zinc/34/90/25/644349025.db2.gz GLGRTLIYVTXYRN-NSHDSACASA-N 2 2 234.340 -0.585 20 0 BBADLP CC(C)OCC[C@H](O)C[N@H+](CC[NH3+])CCO ZINC000923331001 644349018 /nfs/dbraw/zinc/34/90/18/644349018.db2.gz GLGRTLIYVTXYRN-NSHDSACASA-N 2 2 234.340 -0.585 20 0 BBADLP [NH3+]CC[N@@H+](CCO)C[C@H](O)CC(F)(F)F ZINC000923331824 644359506 /nfs/dbraw/zinc/35/95/06/644359506.db2.gz NNPLUSRDTPTHMQ-SSDOTTSWSA-N 2 2 230.230 -0.447 20 0 BBADLP [NH3+]CC[N@H+](CCO)C[C@H](O)CC(F)(F)F ZINC000923331824 644359503 /nfs/dbraw/zinc/35/95/03/644359503.db2.gz NNPLUSRDTPTHMQ-SSDOTTSWSA-N 2 2 230.230 -0.447 20 0 BBADLP [NH3+]CC[N@@H+](CCO)C[C@@H](O)CC(F)(F)F ZINC000923331825 644361038 /nfs/dbraw/zinc/36/10/38/644361038.db2.gz NNPLUSRDTPTHMQ-ZETCQYMHSA-N 2 2 230.230 -0.447 20 0 BBADLP [NH3+]CC[N@H+](CCO)C[C@@H](O)CC(F)(F)F ZINC000923331825 644361033 /nfs/dbraw/zinc/36/10/33/644361033.db2.gz NNPLUSRDTPTHMQ-ZETCQYMHSA-N 2 2 230.230 -0.447 20 0 BBADLP CCOCC[C@H](O)C[N@@H+](CC[NH3+])CCO ZINC000923332240 644352079 /nfs/dbraw/zinc/35/20/79/644352079.db2.gz QZSYVHPIYISDDR-JTQLQIEISA-N 2 2 220.313 -0.973 20 0 BBADLP CCOCC[C@H](O)C[N@H+](CC[NH3+])CCO ZINC000923332240 644352072 /nfs/dbraw/zinc/35/20/72/644352072.db2.gz QZSYVHPIYISDDR-JTQLQIEISA-N 2 2 220.313 -0.973 20 0 BBADLP CCOCC[C@@H](O)C[N@@H+](CC[NH3+])CCO ZINC000923332241 644352753 /nfs/dbraw/zinc/35/27/53/644352753.db2.gz QZSYVHPIYISDDR-SNVBAGLBSA-N 2 2 220.313 -0.973 20 0 BBADLP CCOCC[C@@H](O)C[N@H+](CC[NH3+])CCO ZINC000923332241 644352752 /nfs/dbraw/zinc/35/27/52/644352752.db2.gz QZSYVHPIYISDDR-SNVBAGLBSA-N 2 2 220.313 -0.973 20 0 BBADLP C[C@@H](O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923333774 644353703 /nfs/dbraw/zinc/35/37/03/644353703.db2.gz SFGBDAMLKIPJQC-GHMZBOCLSA-N 2 2 241.335 -0.737 20 0 BBADLP C[C@@H](O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923333774 644353699 /nfs/dbraw/zinc/35/36/99/644353699.db2.gz SFGBDAMLKIPJQC-GHMZBOCLSA-N 2 2 241.335 -0.737 20 0 BBADLP C[C@@H](O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923333778 644354715 /nfs/dbraw/zinc/35/47/15/644354715.db2.gz SFGBDAMLKIPJQC-MNOVXSKESA-N 2 2 241.335 -0.737 20 0 BBADLP C[C@@H](O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923333778 644354712 /nfs/dbraw/zinc/35/47/12/644354712.db2.gz SFGBDAMLKIPJQC-MNOVXSKESA-N 2 2 241.335 -0.737 20 0 BBADLP C[C@H](O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923333780 644354310 /nfs/dbraw/zinc/35/43/10/644354310.db2.gz SFGBDAMLKIPJQC-QWRGUYRKSA-N 2 2 241.335 -0.737 20 0 BBADLP C[C@H](O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923333780 644354306 /nfs/dbraw/zinc/35/43/06/644354306.db2.gz SFGBDAMLKIPJQC-QWRGUYRKSA-N 2 2 241.335 -0.737 20 0 BBADLP C[C@H](O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923333782 644355065 /nfs/dbraw/zinc/35/50/65/644355065.db2.gz SFGBDAMLKIPJQC-WDEREUQCSA-N 2 2 241.335 -0.737 20 0 BBADLP C[C@H](O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923333782 644355060 /nfs/dbraw/zinc/35/50/60/644355060.db2.gz SFGBDAMLKIPJQC-WDEREUQCSA-N 2 2 241.335 -0.737 20 0 BBADLP [NH3+]CC(C[NH3+])NCCCOC(F)(F)F ZINC000923355961 644372350 /nfs/dbraw/zinc/37/23/50/644372350.db2.gz HHBCISHGKLTVAX-UHFFFAOYSA-N 2 2 215.219 -0.212 20 0 BBADLP COC[C@@H](CNC(C[NH3+])C[NH3+])C(C)C ZINC000923356570 644371288 /nfs/dbraw/zinc/37/12/88/644371288.db2.gz NHCXTPJFYKHZLG-SECBINFHSA-N 2 2 203.330 -0.219 20 0 BBADLP COC[C@H](CNC(C[NH3+])C[NH3+])C(C)C ZINC000923356572 644374179 /nfs/dbraw/zinc/37/41/79/644374179.db2.gz NHCXTPJFYKHZLG-VIFPVBQESA-N 2 2 203.330 -0.219 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H]1[NH3+] ZINC000923366354 644378100 /nfs/dbraw/zinc/37/81/00/644378100.db2.gz LJTGLQBZNSDGJS-GMTAPVOTSA-N 3 2 225.336 -0.356 20 0 BBADLP C[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H]1[NH3+] ZINC000923366354 644378099 /nfs/dbraw/zinc/37/80/99/644378099.db2.gz LJTGLQBZNSDGJS-GMTAPVOTSA-N 3 2 225.336 -0.356 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1[NH3+] ZINC000923366355 644379341 /nfs/dbraw/zinc/37/93/41/644379341.db2.gz LJTGLQBZNSDGJS-MXWKQRLJSA-N 3 2 225.336 -0.356 20 0 BBADLP C[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1[NH3+] ZINC000923366355 644379340 /nfs/dbraw/zinc/37/93/40/644379340.db2.gz LJTGLQBZNSDGJS-MXWKQRLJSA-N 3 2 225.336 -0.356 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H]1[NH3+] ZINC000923366356 644378622 /nfs/dbraw/zinc/37/86/22/644378622.db2.gz LJTGLQBZNSDGJS-OUAUKWLOSA-N 3 2 225.336 -0.356 20 0 BBADLP C[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H]1[NH3+] ZINC000923366356 644378615 /nfs/dbraw/zinc/37/86/15/644378615.db2.gz LJTGLQBZNSDGJS-OUAUKWLOSA-N 3 2 225.336 -0.356 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1[NH3+] ZINC000923366357 644377622 /nfs/dbraw/zinc/37/76/22/644377622.db2.gz LJTGLQBZNSDGJS-VWYCJHECSA-N 3 2 225.336 -0.356 20 0 BBADLP C[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1[NH3+] ZINC000923366357 644377617 /nfs/dbraw/zinc/37/76/17/644377617.db2.gz LJTGLQBZNSDGJS-VWYCJHECSA-N 3 2 225.336 -0.356 20 0 BBADLP CSC[C@H](O)C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000923367701 644379314 /nfs/dbraw/zinc/37/93/14/644379314.db2.gz WSHWFFCDXZTOKC-DJLDLDEBSA-N 2 2 204.339 -0.011 20 0 BBADLP CSC[C@H](O)C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000923367701 644379312 /nfs/dbraw/zinc/37/93/12/644379312.db2.gz WSHWFFCDXZTOKC-DJLDLDEBSA-N 2 2 204.339 -0.011 20 0 BBADLP CSC[C@H](O)C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000923367703 644377411 /nfs/dbraw/zinc/37/74/11/644377411.db2.gz WSHWFFCDXZTOKC-HLTSFMKQSA-N 2 2 204.339 -0.011 20 0 BBADLP CSC[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000923367703 644377405 /nfs/dbraw/zinc/37/74/05/644377405.db2.gz WSHWFFCDXZTOKC-HLTSFMKQSA-N 2 2 204.339 -0.011 20 0 BBADLP CSC[C@H](O)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000923367705 644378920 /nfs/dbraw/zinc/37/89/20/644378920.db2.gz WSHWFFCDXZTOKC-IWSPIJDZSA-N 2 2 204.339 -0.011 20 0 BBADLP CSC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000923367705 644378916 /nfs/dbraw/zinc/37/89/16/644378916.db2.gz WSHWFFCDXZTOKC-IWSPIJDZSA-N 2 2 204.339 -0.011 20 0 BBADLP CSC[C@H](O)C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000923367707 644377989 /nfs/dbraw/zinc/37/79/89/644377989.db2.gz WSHWFFCDXZTOKC-YIZRAAEISA-N 2 2 204.339 -0.011 20 0 BBADLP CSC[C@H](O)C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000923367707 644377986 /nfs/dbraw/zinc/37/79/86/644377986.db2.gz WSHWFFCDXZTOKC-YIZRAAEISA-N 2 2 204.339 -0.011 20 0 BBADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000923367823 644378015 /nfs/dbraw/zinc/37/80/15/644378015.db2.gz JEPVCICIBADODG-AXFHLTTASA-N 2 2 224.308 -0.335 20 0 BBADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000923367823 644378014 /nfs/dbraw/zinc/37/80/14/644378014.db2.gz JEPVCICIBADODG-AXFHLTTASA-N 2 2 224.308 -0.335 20 0 BBADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000923367824 644378038 /nfs/dbraw/zinc/37/80/38/644378038.db2.gz JEPVCICIBADODG-DCAQKATOSA-N 2 2 224.308 -0.335 20 0 BBADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000923367824 644378037 /nfs/dbraw/zinc/37/80/37/644378037.db2.gz JEPVCICIBADODG-DCAQKATOSA-N 2 2 224.308 -0.335 20 0 BBADLP COCCOC[C@@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923367859 644378032 /nfs/dbraw/zinc/37/80/32/644378032.db2.gz JRQYQJVECFUAGE-DCAQKATOSA-N 2 2 232.324 -0.568 20 0 BBADLP COCCOC[C@@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923367859 644378030 /nfs/dbraw/zinc/37/80/30/644378030.db2.gz JRQYQJVECFUAGE-DCAQKATOSA-N 2 2 232.324 -0.568 20 0 BBADLP CCOC[C@@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923367875 644377840 /nfs/dbraw/zinc/37/78/40/644377840.db2.gz KIPAFMZICVGVPB-GUBZILKMSA-N 2 2 202.298 -0.195 20 0 BBADLP CCOC[C@@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923367875 644377834 /nfs/dbraw/zinc/37/78/34/644377834.db2.gz KIPAFMZICVGVPB-GUBZILKMSA-N 2 2 202.298 -0.195 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1[NH3+] ZINC000923368014 644382379 /nfs/dbraw/zinc/38/23/79/644382379.db2.gz ZLHNCABVDZCNIW-GMTAPVOTSA-N 2 2 224.308 -0.477 20 0 BBADLP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1[NH3+] ZINC000923368014 644382376 /nfs/dbraw/zinc/38/23/76/644382376.db2.gz ZLHNCABVDZCNIW-GMTAPVOTSA-N 2 2 224.308 -0.477 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1[NH3+] ZINC000923368016 644380156 /nfs/dbraw/zinc/38/01/56/644380156.db2.gz ZLHNCABVDZCNIW-MXWKQRLJSA-N 2 2 224.308 -0.477 20 0 BBADLP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1[NH3+] ZINC000923368016 644380152 /nfs/dbraw/zinc/38/01/52/644380152.db2.gz ZLHNCABVDZCNIW-MXWKQRLJSA-N 2 2 224.308 -0.477 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1[NH3+] ZINC000923368017 644381783 /nfs/dbraw/zinc/38/17/83/644381783.db2.gz ZLHNCABVDZCNIW-OUAUKWLOSA-N 2 2 224.308 -0.477 20 0 BBADLP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1[NH3+] ZINC000923368017 644381777 /nfs/dbraw/zinc/38/17/77/644381777.db2.gz ZLHNCABVDZCNIW-OUAUKWLOSA-N 2 2 224.308 -0.477 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1[NH3+] ZINC000923368019 644381867 /nfs/dbraw/zinc/38/18/67/644381867.db2.gz ZLHNCABVDZCNIW-VWYCJHECSA-N 2 2 224.308 -0.477 20 0 BBADLP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1[NH3+] ZINC000923368019 644381864 /nfs/dbraw/zinc/38/18/64/644381864.db2.gz ZLHNCABVDZCNIW-VWYCJHECSA-N 2 2 224.308 -0.477 20 0 BBADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923368152 644381250 /nfs/dbraw/zinc/38/12/50/644381250.db2.gz MMTDPOUFXRJWSQ-AXFHLTTASA-N 3 2 225.336 -0.214 20 0 BBADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923368152 644381245 /nfs/dbraw/zinc/38/12/45/644381245.db2.gz MMTDPOUFXRJWSQ-AXFHLTTASA-N 3 2 225.336 -0.214 20 0 BBADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923368153 644380534 /nfs/dbraw/zinc/38/05/34/644380534.db2.gz MMTDPOUFXRJWSQ-DCAQKATOSA-N 3 2 225.336 -0.214 20 0 BBADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923368153 644380531 /nfs/dbraw/zinc/38/05/31/644380531.db2.gz MMTDPOUFXRJWSQ-DCAQKATOSA-N 3 2 225.336 -0.214 20 0 BBADLP COC[C@H](C)OC[C@@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923368851 644381379 /nfs/dbraw/zinc/38/13/79/644381379.db2.gz VANHMLUUDBDIIA-BJDJZHNGSA-N 2 2 246.351 -0.180 20 0 BBADLP COC[C@H](C)OC[C@@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923368851 644381373 /nfs/dbraw/zinc/38/13/73/644381373.db2.gz VANHMLUUDBDIIA-BJDJZHNGSA-N 2 2 246.351 -0.180 20 0 BBADLP COC[C@@H](C)OC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923368852 644382130 /nfs/dbraw/zinc/38/21/30/644382130.db2.gz VANHMLUUDBDIIA-KXNHARMFSA-N 2 2 246.351 -0.180 20 0 BBADLP COC[C@@H](C)OC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923368852 644382121 /nfs/dbraw/zinc/38/21/21/644382121.db2.gz VANHMLUUDBDIIA-KXNHARMFSA-N 2 2 246.351 -0.180 20 0 BBADLP COC[C@@H](C)OC[C@@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923368853 644380912 /nfs/dbraw/zinc/38/09/12/644380912.db2.gz VANHMLUUDBDIIA-RHYQMDGZSA-N 2 2 246.351 -0.180 20 0 BBADLP COC[C@@H](C)OC[C@@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923368853 644380903 /nfs/dbraw/zinc/38/09/03/644380903.db2.gz VANHMLUUDBDIIA-RHYQMDGZSA-N 2 2 246.351 -0.180 20 0 BBADLP COC[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H](C)O1 ZINC000923372060 644384659 /nfs/dbraw/zinc/38/46/59/644384659.db2.gz WNLXJKPDMDWMRB-DGORSVRFSA-N 2 2 244.335 -0.427 20 0 BBADLP COC[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H](C)O1 ZINC000923372060 644384654 /nfs/dbraw/zinc/38/46/54/644384654.db2.gz WNLXJKPDMDWMRB-DGORSVRFSA-N 2 2 244.335 -0.427 20 0 BBADLP COC[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H](C)O1 ZINC000923372065 644382850 /nfs/dbraw/zinc/38/28/50/644382850.db2.gz WNLXJKPDMDWMRB-HTFCKZLJSA-N 2 2 244.335 -0.427 20 0 BBADLP COC[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H](C)O1 ZINC000923372065 644382844 /nfs/dbraw/zinc/38/28/44/644382844.db2.gz WNLXJKPDMDWMRB-HTFCKZLJSA-N 2 2 244.335 -0.427 20 0 BBADLP COC[C@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H](C)O1 ZINC000923372067 644385062 /nfs/dbraw/zinc/38/50/62/644385062.db2.gz WNLXJKPDMDWMRB-LVEVGFFFSA-N 2 2 244.335 -0.427 20 0 BBADLP COC[C@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H](C)O1 ZINC000923372067 644385060 /nfs/dbraw/zinc/38/50/60/644385060.db2.gz WNLXJKPDMDWMRB-LVEVGFFFSA-N 2 2 244.335 -0.427 20 0 BBADLP COC[C@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H](C)O1 ZINC000923372070 644384137 /nfs/dbraw/zinc/38/41/37/644384137.db2.gz WNLXJKPDMDWMRB-SVNGYHJRSA-N 2 2 244.335 -0.427 20 0 BBADLP COC[C@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H](C)O1 ZINC000923372070 644384129 /nfs/dbraw/zinc/38/41/29/644384129.db2.gz WNLXJKPDMDWMRB-SVNGYHJRSA-N 2 2 244.335 -0.427 20 0 BBADLP CCN1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1=O ZINC000923372869 644396098 /nfs/dbraw/zinc/39/60/98/644396098.db2.gz JIDYJTBNTPZIQG-DCAQKATOSA-N 2 2 241.335 -0.609 20 0 BBADLP CCN1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1=O ZINC000923372869 644396096 /nfs/dbraw/zinc/39/60/96/644396096.db2.gz JIDYJTBNTPZIQG-DCAQKATOSA-N 2 2 241.335 -0.609 20 0 BBADLP C[NH2+]CCC[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923378228 644391224 /nfs/dbraw/zinc/39/12/24/644391224.db2.gz SLLFRHAYGIKYOG-GUBZILKMSA-N 3 2 201.314 -0.622 20 0 BBADLP C[NH2+]CCC[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923378228 644391222 /nfs/dbraw/zinc/39/12/22/644391222.db2.gz SLLFRHAYGIKYOG-GUBZILKMSA-N 3 2 201.314 -0.622 20 0 BBADLP COC[C@H](O)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000923380141 644394310 /nfs/dbraw/zinc/39/43/10/644394310.db2.gz MVCPQFYYPYRXMV-GHMZBOCLSA-N 2 2 214.309 -0.178 20 0 BBADLP COC[C@H](O)C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000923380141 644394300 /nfs/dbraw/zinc/39/43/00/644394300.db2.gz MVCPQFYYPYRXMV-GHMZBOCLSA-N 2 2 214.309 -0.178 20 0 BBADLP COC[C@H](O)C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000923380143 644394071 /nfs/dbraw/zinc/39/40/71/644394071.db2.gz MVCPQFYYPYRXMV-MNOVXSKESA-N 2 2 214.309 -0.178 20 0 BBADLP COC[C@H](O)C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000923380143 644394064 /nfs/dbraw/zinc/39/40/64/644394064.db2.gz MVCPQFYYPYRXMV-MNOVXSKESA-N 2 2 214.309 -0.178 20 0 BBADLP COC[C@@H](O)C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000923380144 644393739 /nfs/dbraw/zinc/39/37/39/644393739.db2.gz MVCPQFYYPYRXMV-QWRGUYRKSA-N 2 2 214.309 -0.178 20 0 BBADLP COC[C@@H](O)C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000923380144 644393733 /nfs/dbraw/zinc/39/37/33/644393733.db2.gz MVCPQFYYPYRXMV-QWRGUYRKSA-N 2 2 214.309 -0.178 20 0 BBADLP COC[C@@H](O)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000923380146 644394661 /nfs/dbraw/zinc/39/46/61/644394661.db2.gz MVCPQFYYPYRXMV-WDEREUQCSA-N 2 2 214.309 -0.178 20 0 BBADLP COC[C@@H](O)C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000923380146 644394658 /nfs/dbraw/zinc/39/46/58/644394658.db2.gz MVCPQFYYPYRXMV-WDEREUQCSA-N 2 2 214.309 -0.178 20 0 BBADLP CN1CC(=O)N(CC[N@@H+](C)CC(C)(C)[NH3+])C1=O ZINC000923385397 644399695 /nfs/dbraw/zinc/39/96/95/644399695.db2.gz BXFMVYUHOFPLBJ-UHFFFAOYSA-N 2 2 242.323 -0.451 20 0 BBADLP CN1CC(=O)N(CC[N@H+](C)CC(C)(C)[NH3+])C1=O ZINC000923385397 644399692 /nfs/dbraw/zinc/39/96/92/644399692.db2.gz BXFMVYUHOFPLBJ-UHFFFAOYSA-N 2 2 242.323 -0.451 20 0 BBADLP COC(=O)[C@@]1(F)CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923388996 644401449 /nfs/dbraw/zinc/40/14/49/644401449.db2.gz QTHIIYUNLNOKJB-FTYOSLGDSA-N 2 2 246.282 -0.576 20 0 BBADLP COC(=O)[C@@]1(F)CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923388996 644401442 /nfs/dbraw/zinc/40/14/42/644401442.db2.gz QTHIIYUNLNOKJB-FTYOSLGDSA-N 2 2 246.282 -0.576 20 0 BBADLP COC(=O)[C@]1(F)CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923388997 644402240 /nfs/dbraw/zinc/40/22/40/644402240.db2.gz QTHIIYUNLNOKJB-KBIXCLLPSA-N 2 2 246.282 -0.576 20 0 BBADLP COC(=O)[C@]1(F)CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923388997 644402236 /nfs/dbraw/zinc/40/22/36/644402236.db2.gz QTHIIYUNLNOKJB-KBIXCLLPSA-N 2 2 246.282 -0.576 20 0 BBADLP [NH3+]CC12CC(C1)C[N@H+]2C[C@H](O)Cn1cccn1 ZINC000923389413 644401938 /nfs/dbraw/zinc/40/19/38/644401938.db2.gz ACRBGEUSNMDKKU-CXQJBGSLSA-N 2 2 236.319 -0.333 20 0 BBADLP [NH3+]CC12CC(C1)C[N@@H+]2C[C@H](O)Cn1cccn1 ZINC000923389413 644401935 /nfs/dbraw/zinc/40/19/35/644401935.db2.gz ACRBGEUSNMDKKU-CXQJBGSLSA-N 2 2 236.319 -0.333 20 0 BBADLP [NH3+]CC12CC(C1)C[N@H+]2C[C@@H](O)Cn1cccn1 ZINC000923389414 644401993 /nfs/dbraw/zinc/40/19/93/644401993.db2.gz ACRBGEUSNMDKKU-MOENNCHZSA-N 2 2 236.319 -0.333 20 0 BBADLP [NH3+]CC12CC(C1)C[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC000923389414 644401989 /nfs/dbraw/zinc/40/19/89/644401989.db2.gz ACRBGEUSNMDKKU-MOENNCHZSA-N 2 2 236.319 -0.333 20 0 BBADLP [NH3+]CC12CC(C1)C[N@H+]2C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923391774 644398700 /nfs/dbraw/zinc/39/87/00/644398700.db2.gz QBDNVBLIUWVYIX-AKJDGMEZSA-N 3 2 237.347 -0.212 20 0 BBADLP [NH3+]CC12CC(C1)C[N@@H+]2C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923391774 644398696 /nfs/dbraw/zinc/39/86/96/644398696.db2.gz QBDNVBLIUWVYIX-AKJDGMEZSA-N 3 2 237.347 -0.212 20 0 BBADLP [NH3+]CC12CC(C1)C[N@H+]2C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923391776 644399887 /nfs/dbraw/zinc/39/98/87/644399887.db2.gz QBDNVBLIUWVYIX-QWKFWESOSA-N 3 2 237.347 -0.212 20 0 BBADLP [NH3+]CC12CC(C1)C[N@@H+]2C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923391776 644399882 /nfs/dbraw/zinc/39/98/82/644399882.db2.gz QBDNVBLIUWVYIX-QWKFWESOSA-N 3 2 237.347 -0.212 20 0 BBADLP COCCOC[C@@H](O)C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000923392031 644400111 /nfs/dbraw/zinc/40/01/11/644400111.db2.gz RWZBTIYHDGDHLP-CXQJBGSLSA-N 2 2 244.335 -0.567 20 0 BBADLP COCCOC[C@@H](O)C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000923392031 644400107 /nfs/dbraw/zinc/40/01/07/644400107.db2.gz RWZBTIYHDGDHLP-CXQJBGSLSA-N 2 2 244.335 -0.567 20 0 BBADLP COCCOC[C@H](O)C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000923392033 644398269 /nfs/dbraw/zinc/39/82/69/644398269.db2.gz RWZBTIYHDGDHLP-MOENNCHZSA-N 2 2 244.335 -0.567 20 0 BBADLP COCCOC[C@H](O)C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000923392033 644398266 /nfs/dbraw/zinc/39/82/66/644398266.db2.gz RWZBTIYHDGDHLP-MOENNCHZSA-N 2 2 244.335 -0.567 20 0 BBADLP COC[C@H](O)C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000923392270 644400082 /nfs/dbraw/zinc/40/00/82/644400082.db2.gz UHMVJNORIMOVGF-HWOCKDDLSA-N 2 2 200.282 -0.583 20 0 BBADLP COC[C@H](O)C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000923392270 644400077 /nfs/dbraw/zinc/40/00/77/644400077.db2.gz UHMVJNORIMOVGF-HWOCKDDLSA-N 2 2 200.282 -0.583 20 0 BBADLP COC[C@@H](O)C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000923392272 644398184 /nfs/dbraw/zinc/39/81/84/644398184.db2.gz UHMVJNORIMOVGF-KYHHOPLUSA-N 2 2 200.282 -0.583 20 0 BBADLP COC[C@@H](O)C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000923392272 644398181 /nfs/dbraw/zinc/39/81/81/644398181.db2.gz UHMVJNORIMOVGF-KYHHOPLUSA-N 2 2 200.282 -0.583 20 0 BBADLP COCC[N@@H+](CCF)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923392419 644399336 /nfs/dbraw/zinc/39/93/36/644399336.db2.gz RSSHGYLPPOHWSG-GUBZILKMSA-N 2 2 220.288 -0.245 20 0 BBADLP COCC[N@H+](CCF)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923392419 644399332 /nfs/dbraw/zinc/39/93/32/644399332.db2.gz RSSHGYLPPOHWSG-GUBZILKMSA-N 2 2 220.288 -0.245 20 0 BBADLP CCOC[C@H](O)C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000923392544 644400375 /nfs/dbraw/zinc/40/03/75/644400375.db2.gz YDBMJYMLBHWQPV-HSOILSAZSA-N 2 2 214.309 -0.193 20 0 BBADLP CCOC[C@H](O)C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000923392544 644400369 /nfs/dbraw/zinc/40/03/69/644400369.db2.gz YDBMJYMLBHWQPV-HSOILSAZSA-N 2 2 214.309 -0.193 20 0 BBADLP CCOC[C@@H](O)C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000923392546 644398129 /nfs/dbraw/zinc/39/81/29/644398129.db2.gz YDBMJYMLBHWQPV-YVNMAJEFSA-N 2 2 214.309 -0.193 20 0 BBADLP CCOC[C@@H](O)C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000923392546 644398125 /nfs/dbraw/zinc/39/81/25/644398125.db2.gz YDBMJYMLBHWQPV-YVNMAJEFSA-N 2 2 214.309 -0.193 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CC(=O)N1 ZINC000923393405 644401039 /nfs/dbraw/zinc/40/10/39/644401039.db2.gz PSQARHHLOLQOIO-NXEZZACHSA-N 2 2 239.319 -0.815 20 0 BBADLP C[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CC(=O)N1 ZINC000923393405 644401032 /nfs/dbraw/zinc/40/10/32/644401032.db2.gz PSQARHHLOLQOIO-NXEZZACHSA-N 2 2 239.319 -0.815 20 0 BBADLP C[C@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC(=O)N1 ZINC000923393406 644401752 /nfs/dbraw/zinc/40/17/52/644401752.db2.gz PSQARHHLOLQOIO-UWVGGRQHSA-N 2 2 239.319 -0.815 20 0 BBADLP C[C@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC(=O)N1 ZINC000923393406 644401747 /nfs/dbraw/zinc/40/17/47/644401747.db2.gz PSQARHHLOLQOIO-UWVGGRQHSA-N 2 2 239.319 -0.815 20 0 BBADLP C[C@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CC(=O)N1 ZINC000923393407 644403283 /nfs/dbraw/zinc/40/32/83/644403283.db2.gz PSQARHHLOLQOIO-VHSXEESVSA-N 2 2 239.319 -0.815 20 0 BBADLP C[C@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CC(=O)N1 ZINC000923393407 644403280 /nfs/dbraw/zinc/40/32/80/644403280.db2.gz PSQARHHLOLQOIO-VHSXEESVSA-N 2 2 239.319 -0.815 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC(=O)N1 ZINC000923393408 644401467 /nfs/dbraw/zinc/40/14/67/644401467.db2.gz PSQARHHLOLQOIO-ZJUUUORDSA-N 2 2 239.319 -0.815 20 0 BBADLP C[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC(=O)N1 ZINC000923393408 644401462 /nfs/dbraw/zinc/40/14/62/644401462.db2.gz PSQARHHLOLQOIO-ZJUUUORDSA-N 2 2 239.319 -0.815 20 0 BBADLP COC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000923398096 644403935 /nfs/dbraw/zinc/40/39/35/644403935.db2.gz HJPTVPKRUBDBRV-NXEZZACHSA-N 2 2 214.309 -0.132 20 0 BBADLP COC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000923398102 644403947 /nfs/dbraw/zinc/40/39/47/644403947.db2.gz HJPTVPKRUBDBRV-UWVGGRQHSA-N 2 2 214.309 -0.132 20 0 BBADLP COC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000923398104 644404642 /nfs/dbraw/zinc/40/46/42/644404642.db2.gz HJPTVPKRUBDBRV-VHSXEESVSA-N 2 2 214.309 -0.132 20 0 BBADLP COC[C@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000923398105 644404241 /nfs/dbraw/zinc/40/42/41/644404241.db2.gz HJPTVPKRUBDBRV-ZJUUUORDSA-N 2 2 214.309 -0.132 20 0 BBADLP CC[N@@H+](CC[NH3+])C[C@@H](O)COC1CCOCC1 ZINC000923400272 644407292 /nfs/dbraw/zinc/40/72/92/644407292.db2.gz VGBRAFOJJZZLJU-LLVKDONJSA-N 2 2 246.351 -0.177 20 0 BBADLP CC[N@H+](CC[NH3+])C[C@@H](O)COC1CCOCC1 ZINC000923400272 644407286 /nfs/dbraw/zinc/40/72/86/644407286.db2.gz VGBRAFOJJZZLJU-LLVKDONJSA-N 2 2 246.351 -0.177 20 0 BBADLP CC[N@@H+](CC[NH3+])C[C@H](O)COC1CCOCC1 ZINC000923400274 644406102 /nfs/dbraw/zinc/40/61/02/644406102.db2.gz VGBRAFOJJZZLJU-NSHDSACASA-N 2 2 246.351 -0.177 20 0 BBADLP CC[N@H+](CC[NH3+])C[C@H](O)COC1CCOCC1 ZINC000923400274 644406095 /nfs/dbraw/zinc/40/60/95/644406095.db2.gz VGBRAFOJJZZLJU-NSHDSACASA-N 2 2 246.351 -0.177 20 0 BBADLP CC[N@@H+](CC[NH3+])C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923400440 644406046 /nfs/dbraw/zinc/40/60/46/644406046.db2.gz ATLRHRZZDWRNHU-JTQLQIEISA-N 3 2 213.325 -0.355 20 0 BBADLP CC[N@H+](CC[NH3+])C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923400440 644406039 /nfs/dbraw/zinc/40/60/39/644406039.db2.gz ATLRHRZZDWRNHU-JTQLQIEISA-N 3 2 213.325 -0.355 20 0 BBADLP CC[N@@H+](CC[NH3+])C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923400442 644408024 /nfs/dbraw/zinc/40/80/24/644408024.db2.gz ATLRHRZZDWRNHU-SNVBAGLBSA-N 3 2 213.325 -0.355 20 0 BBADLP CC[N@H+](CC[NH3+])C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923400442 644408018 /nfs/dbraw/zinc/40/80/18/644408018.db2.gz ATLRHRZZDWRNHU-SNVBAGLBSA-N 3 2 213.325 -0.355 20 0 BBADLP CC[N@@H+](CC[NH3+])C[C@@H](O)COC[C@@H]1CCCO1 ZINC000923401790 644407779 /nfs/dbraw/zinc/40/77/79/644407779.db2.gz QJXYSCXYFPJVET-NEPJUHHUSA-N 2 2 246.351 -0.177 20 0 BBADLP CC[N@H+](CC[NH3+])C[C@@H](O)COC[C@@H]1CCCO1 ZINC000923401790 644407775 /nfs/dbraw/zinc/40/77/75/644407775.db2.gz QJXYSCXYFPJVET-NEPJUHHUSA-N 2 2 246.351 -0.177 20 0 BBADLP CC[N@@H+](CC[NH3+])C[C@H](O)COC[C@H]1CCCO1 ZINC000923401791 644406852 /nfs/dbraw/zinc/40/68/52/644406852.db2.gz QJXYSCXYFPJVET-NWDGAFQWSA-N 2 2 246.351 -0.177 20 0 BBADLP CC[N@H+](CC[NH3+])C[C@H](O)COC[C@H]1CCCO1 ZINC000923401791 644406849 /nfs/dbraw/zinc/40/68/49/644406849.db2.gz QJXYSCXYFPJVET-NWDGAFQWSA-N 2 2 246.351 -0.177 20 0 BBADLP CC[N@@H+](CC[NH3+])C[C@H](O)COC[C@@H]1CCCO1 ZINC000923401792 644406480 /nfs/dbraw/zinc/40/64/80/644406480.db2.gz QJXYSCXYFPJVET-RYUDHWBXSA-N 2 2 246.351 -0.177 20 0 BBADLP CC[N@H+](CC[NH3+])C[C@H](O)COC[C@@H]1CCCO1 ZINC000923401792 644406478 /nfs/dbraw/zinc/40/64/78/644406478.db2.gz QJXYSCXYFPJVET-RYUDHWBXSA-N 2 2 246.351 -0.177 20 0 BBADLP CC[N@@H+](CC[NH3+])C[C@@H](O)COC[C@H]1CCCO1 ZINC000923401793 644407456 /nfs/dbraw/zinc/40/74/56/644407456.db2.gz QJXYSCXYFPJVET-VXGBXAGGSA-N 2 2 246.351 -0.177 20 0 BBADLP CC[N@H+](CC[NH3+])C[C@@H](O)COC[C@H]1CCCO1 ZINC000923401793 644407452 /nfs/dbraw/zinc/40/74/52/644407452.db2.gz QJXYSCXYFPJVET-VXGBXAGGSA-N 2 2 246.351 -0.177 20 0 BBADLP CC[N@@H+](CC[NH3+])C[C@H](O)Cn1cccn1 ZINC000923402081 644407596 /nfs/dbraw/zinc/40/75/96/644407596.db2.gz TVFIJGRRHTXXDM-JTQLQIEISA-N 2 2 212.297 -0.475 20 0 BBADLP CC[N@H+](CC[NH3+])C[C@H](O)Cn1cccn1 ZINC000923402081 644407590 /nfs/dbraw/zinc/40/75/90/644407590.db2.gz TVFIJGRRHTXXDM-JTQLQIEISA-N 2 2 212.297 -0.475 20 0 BBADLP CC[N@@H+](CC[NH3+])C[C@@H](O)Cn1cccn1 ZINC000923402083 644406755 /nfs/dbraw/zinc/40/67/55/644406755.db2.gz TVFIJGRRHTXXDM-SNVBAGLBSA-N 2 2 212.297 -0.475 20 0 BBADLP CC[N@H+](CC[NH3+])C[C@@H](O)Cn1cccn1 ZINC000923402083 644406752 /nfs/dbraw/zinc/40/67/52/644406752.db2.gz TVFIJGRRHTXXDM-SNVBAGLBSA-N 2 2 212.297 -0.475 20 0 BBADLP CCOC[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923402365 644407937 /nfs/dbraw/zinc/40/79/37/644407937.db2.gz FQMCJDYPWJVHAY-BJDJZHNGSA-N 2 2 244.335 -0.426 20 0 BBADLP CCOC[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923402365 644407932 /nfs/dbraw/zinc/40/79/32/644407932.db2.gz FQMCJDYPWJVHAY-BJDJZHNGSA-N 2 2 244.335 -0.426 20 0 BBADLP CCOC[C@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923402368 644407768 /nfs/dbraw/zinc/40/77/68/644407768.db2.gz FQMCJDYPWJVHAY-USZNOCQGSA-N 2 2 244.335 -0.426 20 0 BBADLP CCOC[C@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923402368 644407767 /nfs/dbraw/zinc/40/77/67/644407767.db2.gz FQMCJDYPWJVHAY-USZNOCQGSA-N 2 2 244.335 -0.426 20 0 BBADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCO[C@@H](CCF)C2)C1 ZINC000923402457 644406743 /nfs/dbraw/zinc/40/67/43/644406743.db2.gz HVHBIAKERSTMFU-NAKRPEOUSA-N 2 2 232.299 -0.103 20 0 BBADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCO[C@@H](CCF)C2)C1 ZINC000923402457 644406739 /nfs/dbraw/zinc/40/67/39/644406739.db2.gz HVHBIAKERSTMFU-NAKRPEOUSA-N 2 2 232.299 -0.103 20 0 BBADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCO[C@H](CCF)C2)C1 ZINC000923402459 644406366 /nfs/dbraw/zinc/40/63/66/644406366.db2.gz HVHBIAKERSTMFU-VLEAKVRGSA-N 2 2 232.299 -0.103 20 0 BBADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCO[C@H](CCF)C2)C1 ZINC000923402459 644406361 /nfs/dbraw/zinc/40/63/61/644406361.db2.gz HVHBIAKERSTMFU-VLEAKVRGSA-N 2 2 232.299 -0.103 20 0 BBADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@@H](O)COC1CCOCC1 ZINC000923409252 644412705 /nfs/dbraw/zinc/41/27/05/644412705.db2.gz LJDOVFGEQWMGSI-GHMZBOCLSA-N 2 2 246.351 -0.178 20 0 BBADLP C[C@@H]([NH3+])C[N@H+](C)C[C@@H](O)COC1CCOCC1 ZINC000923409252 644412702 /nfs/dbraw/zinc/41/27/02/644412702.db2.gz LJDOVFGEQWMGSI-GHMZBOCLSA-N 2 2 246.351 -0.178 20 0 BBADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@H](O)COC1CCOCC1 ZINC000923409254 644411560 /nfs/dbraw/zinc/41/15/60/644411560.db2.gz LJDOVFGEQWMGSI-MNOVXSKESA-N 2 2 246.351 -0.178 20 0 BBADLP C[C@@H]([NH3+])C[N@H+](C)C[C@H](O)COC1CCOCC1 ZINC000923409254 644411558 /nfs/dbraw/zinc/41/15/58/644411558.db2.gz LJDOVFGEQWMGSI-MNOVXSKESA-N 2 2 246.351 -0.178 20 0 BBADLP C[C@H]([NH3+])C[N@@H+](C)C[C@H](O)COC1CCOCC1 ZINC000923409255 644412351 /nfs/dbraw/zinc/41/23/51/644412351.db2.gz LJDOVFGEQWMGSI-QWRGUYRKSA-N 2 2 246.351 -0.178 20 0 BBADLP C[C@H]([NH3+])C[N@H+](C)C[C@H](O)COC1CCOCC1 ZINC000923409255 644412349 /nfs/dbraw/zinc/41/23/49/644412349.db2.gz LJDOVFGEQWMGSI-QWRGUYRKSA-N 2 2 246.351 -0.178 20 0 BBADLP C[C@H]([NH3+])C[N@@H+](C)C[C@@H](O)COC1CCOCC1 ZINC000923409257 644410911 /nfs/dbraw/zinc/41/09/11/644410911.db2.gz LJDOVFGEQWMGSI-WDEREUQCSA-N 2 2 246.351 -0.178 20 0 BBADLP C[C@H]([NH3+])C[N@H+](C)C[C@@H](O)COC1CCOCC1 ZINC000923409257 644410907 /nfs/dbraw/zinc/41/09/07/644410907.db2.gz LJDOVFGEQWMGSI-WDEREUQCSA-N 2 2 246.351 -0.178 20 0 BBADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@@H](O)Cn1cccn1 ZINC000923409432 644410661 /nfs/dbraw/zinc/41/06/61/644410661.db2.gz IZAYIXLCGOJOIY-NXEZZACHSA-N 2 2 212.297 -0.477 20 0 BBADLP C[C@@H]([NH3+])C[N@H+](C)C[C@@H](O)Cn1cccn1 ZINC000923409432 644410658 /nfs/dbraw/zinc/41/06/58/644410658.db2.gz IZAYIXLCGOJOIY-NXEZZACHSA-N 2 2 212.297 -0.477 20 0 BBADLP C[C@H]([NH3+])C[N@@H+](C)C[C@H](O)Cn1cccn1 ZINC000923409433 644412003 /nfs/dbraw/zinc/41/20/03/644412003.db2.gz IZAYIXLCGOJOIY-UWVGGRQHSA-N 2 2 212.297 -0.477 20 0 BBADLP C[C@H]([NH3+])C[N@H+](C)C[C@H](O)Cn1cccn1 ZINC000923409433 644412002 /nfs/dbraw/zinc/41/20/02/644412002.db2.gz IZAYIXLCGOJOIY-UWVGGRQHSA-N 2 2 212.297 -0.477 20 0 BBADLP C[C@H]([NH3+])C[N@@H+](C)C[C@@H](O)Cn1cccn1 ZINC000923409435 644410690 /nfs/dbraw/zinc/41/06/90/644410690.db2.gz IZAYIXLCGOJOIY-VHSXEESVSA-N 2 2 212.297 -0.477 20 0 BBADLP C[C@H]([NH3+])C[N@H+](C)C[C@@H](O)Cn1cccn1 ZINC000923409435 644410685 /nfs/dbraw/zinc/41/06/85/644410685.db2.gz IZAYIXLCGOJOIY-VHSXEESVSA-N 2 2 212.297 -0.477 20 0 BBADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@H](O)Cn1cccn1 ZINC000923409437 644412471 /nfs/dbraw/zinc/41/24/71/644412471.db2.gz IZAYIXLCGOJOIY-ZJUUUORDSA-N 2 2 212.297 -0.477 20 0 BBADLP C[C@@H]([NH3+])C[N@H+](C)C[C@H](O)Cn1cccn1 ZINC000923409437 644412470 /nfs/dbraw/zinc/41/24/70/644412470.db2.gz IZAYIXLCGOJOIY-ZJUUUORDSA-N 2 2 212.297 -0.477 20 0 BBADLP COC[C@]1(C)C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923410709 644412206 /nfs/dbraw/zinc/41/22/06/644412206.db2.gz ILUGIAZDZBEAMB-BJDJZHNGSA-N 2 2 244.335 -0.426 20 0 BBADLP COC[C@]1(C)C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923410709 644412199 /nfs/dbraw/zinc/41/21/99/644412199.db2.gz 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C[C@H]([NH3+])C[N@H+](C)C[C@H](O)COC[C@H]1CCCO1 ZINC000923412000 644414032 /nfs/dbraw/zinc/41/40/32/644414032.db2.gz VNHVEZIJOUPQRO-SDDRHHMPSA-N 2 2 246.351 -0.178 20 0 BBADLP C[C@H]([NH3+])C[N@@H+](C)C[C@H](O)COC[C@@H]1CCCO1 ZINC000923412001 644415007 /nfs/dbraw/zinc/41/50/07/644415007.db2.gz VNHVEZIJOUPQRO-SRVKXCTJSA-N 2 2 246.351 -0.178 20 0 BBADLP C[C@H]([NH3+])C[N@H+](C)C[C@H](O)COC[C@@H]1CCCO1 ZINC000923412001 644415001 /nfs/dbraw/zinc/41/50/01/644415001.db2.gz VNHVEZIJOUPQRO-SRVKXCTJSA-N 2 2 246.351 -0.178 20 0 BBADLP C[C@H]([NH3+])C[N@@H+](C)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000923412002 644414413 /nfs/dbraw/zinc/41/44/13/644414413.db2.gz VNHVEZIJOUPQRO-TUAOUCFPSA-N 2 2 246.351 -0.178 20 0 BBADLP C[C@H]([NH3+])C[N@H+](C)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000923412002 644414410 /nfs/dbraw/zinc/41/44/10/644414410.db2.gz VNHVEZIJOUPQRO-TUAOUCFPSA-N 2 2 246.351 -0.178 20 0 BBADLP COC[C@@H](O)C[N@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000923412148 644414141 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COC[C@@H](O)C[N@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000923412153 644414339 /nfs/dbraw/zinc/41/43/39/644414339.db2.gz PLFYVOBWDSCLDK-HBNTYKKESA-N 2 2 232.324 -0.568 20 0 BBADLP COC[C@@H](O)C[N@@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000923412153 644414336 /nfs/dbraw/zinc/41/43/36/644414336.db2.gz PLFYVOBWDSCLDK-HBNTYKKESA-N 2 2 232.324 -0.568 20 0 BBADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923412528 644415302 /nfs/dbraw/zinc/41/53/02/644415302.db2.gz ZIGGOYWPZXXXFT-NXEZZACHSA-N 3 2 213.325 -0.356 20 0 BBADLP C[C@@H]([NH3+])C[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923412528 644415300 /nfs/dbraw/zinc/41/53/00/644415300.db2.gz ZIGGOYWPZXXXFT-NXEZZACHSA-N 3 2 213.325 -0.356 20 0 BBADLP C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923412530 644413992 /nfs/dbraw/zinc/41/39/92/644413992.db2.gz ZIGGOYWPZXXXFT-UWVGGRQHSA-N 3 2 213.325 -0.356 20 0 BBADLP C[C@H]([NH3+])C[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923412530 644413989 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C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923413945 644416681 /nfs/dbraw/zinc/41/66/81/644416681.db2.gz RZZHJZSHIUXSCU-GMTAPVOTSA-N 3 2 225.336 -0.214 20 0 BBADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923413946 644416336 /nfs/dbraw/zinc/41/63/36/644416336.db2.gz RZZHJZSHIUXSCU-MXWKQRLJSA-N 3 2 225.336 -0.214 20 0 BBADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923413946 644416333 /nfs/dbraw/zinc/41/63/33/644416333.db2.gz RZZHJZSHIUXSCU-MXWKQRLJSA-N 3 2 225.336 -0.214 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923413947 644416744 /nfs/dbraw/zinc/41/67/44/644416744.db2.gz RZZHJZSHIUXSCU-OUAUKWLOSA-N 3 2 225.336 -0.214 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923413947 644416742 /nfs/dbraw/zinc/41/67/42/644416742.db2.gz RZZHJZSHIUXSCU-OUAUKWLOSA-N 3 2 225.336 -0.214 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923413948 644416411 /nfs/dbraw/zinc/41/64/11/644416411.db2.gz RZZHJZSHIUXSCU-VWYCJHECSA-N 3 2 225.336 -0.214 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923413948 644416409 /nfs/dbraw/zinc/41/64/09/644416409.db2.gz RZZHJZSHIUXSCU-VWYCJHECSA-N 3 2 225.336 -0.214 20 0 BBADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000923414450 644415961 /nfs/dbraw/zinc/41/59/61/644415961.db2.gz WKQBWHZRXFBEKE-GMTAPVOTSA-N 2 2 224.308 -0.335 20 0 BBADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000923414450 644415957 /nfs/dbraw/zinc/41/59/57/644415957.db2.gz WKQBWHZRXFBEKE-GMTAPVOTSA-N 2 2 224.308 -0.335 20 0 BBADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@H](O)Cn1cccn1 ZINC000923414451 644416992 /nfs/dbraw/zinc/41/69/92/644416992.db2.gz WKQBWHZRXFBEKE-MXWKQRLJSA-N 2 2 224.308 -0.335 20 0 BBADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000923414451 644416986 /nfs/dbraw/zinc/41/69/86/644416986.db2.gz WKQBWHZRXFBEKE-MXWKQRLJSA-N 2 2 224.308 -0.335 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000923414452 644417548 /nfs/dbraw/zinc/41/75/48/644417548.db2.gz WKQBWHZRXFBEKE-OUAUKWLOSA-N 2 2 224.308 -0.335 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000923414452 644417545 /nfs/dbraw/zinc/41/75/45/644417545.db2.gz WKQBWHZRXFBEKE-OUAUKWLOSA-N 2 2 224.308 -0.335 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@H](O)Cn1cccn1 ZINC000923414453 644416493 /nfs/dbraw/zinc/41/64/93/644416493.db2.gz WKQBWHZRXFBEKE-VWYCJHECSA-N 2 2 224.308 -0.335 20 0 BBADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000923414453 644416490 /nfs/dbraw/zinc/41/64/90/644416490.db2.gz WKQBWHZRXFBEKE-VWYCJHECSA-N 2 2 224.308 -0.335 20 0 BBADLP CC[N@@H+](C[C@H](O)Cn1cccn1)[C@@H]1CC[NH2+]C1 ZINC000923425019 644419089 /nfs/dbraw/zinc/41/90/89/644419089.db2.gz KDAOZBSENPJMJD-NEPJUHHUSA-N 2 2 238.335 -0.072 20 0 BBADLP CC[N@H+](C[C@H](O)Cn1cccn1)[C@@H]1CC[NH2+]C1 ZINC000923425019 644419082 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CC[N@H+](C[C@@H](O)Cn1cccn1)[C@@H]1CC[NH2+]C1 ZINC000923425277 644418744 /nfs/dbraw/zinc/41/87/44/644418744.db2.gz KDAOZBSENPJMJD-VXGBXAGGSA-N 2 2 238.335 -0.072 20 0 BBADLP CC1(C)C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1[NH3+] ZINC000923432139 644425649 /nfs/dbraw/zinc/42/56/49/644425649.db2.gz JGCZAHYAOCLUGD-GHMZBOCLSA-N 2 2 238.335 -0.087 20 0 BBADLP CC1(C)C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1[NH3+] ZINC000923432139 644425644 /nfs/dbraw/zinc/42/56/44/644425644.db2.gz JGCZAHYAOCLUGD-GHMZBOCLSA-N 2 2 238.335 -0.087 20 0 BBADLP CC1(C)C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1[NH3+] ZINC000923432140 644424736 /nfs/dbraw/zinc/42/47/36/644424736.db2.gz JGCZAHYAOCLUGD-MNOVXSKESA-N 2 2 238.335 -0.087 20 0 BBADLP CC1(C)C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1[NH3+] ZINC000923432140 644424733 /nfs/dbraw/zinc/42/47/33/644424733.db2.gz JGCZAHYAOCLUGD-MNOVXSKESA-N 2 2 238.335 -0.087 20 0 BBADLP CC1(C)C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1[NH3+] ZINC000923432141 644423974 /nfs/dbraw/zinc/42/39/74/644423974.db2.gz JGCZAHYAOCLUGD-QWRGUYRKSA-N 2 2 238.335 -0.087 20 0 BBADLP CC1(C)C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1[NH3+] ZINC000923432141 644423967 /nfs/dbraw/zinc/42/39/67/644423967.db2.gz JGCZAHYAOCLUGD-QWRGUYRKSA-N 2 2 238.335 -0.087 20 0 BBADLP CC1(C)C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1[NH3+] ZINC000923432142 644424587 /nfs/dbraw/zinc/42/45/87/644424587.db2.gz JGCZAHYAOCLUGD-WDEREUQCSA-N 2 2 238.335 -0.087 20 0 BBADLP CC1(C)C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1[NH3+] ZINC000923432142 644424582 /nfs/dbraw/zinc/42/45/82/644424582.db2.gz JGCZAHYAOCLUGD-WDEREUQCSA-N 2 2 238.335 -0.087 20 0 BBADLP [NH3+]CC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923451678 644440603 /nfs/dbraw/zinc/44/06/03/644440603.db2.gz PDBHJZCQUXBKPF-JTQLQIEISA-N 3 2 213.325 -0.225 20 0 BBADLP [NH3+]CC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923451679 644439451 /nfs/dbraw/zinc/43/94/51/644439451.db2.gz PDBHJZCQUXBKPF-SNVBAGLBSA-N 3 2 213.325 -0.225 20 0 BBADLP CCN(C)C(=O)CCN1CC[NH2+]CC[NH2+]CC1 ZINC000923459338 644439098 /nfs/dbraw/zinc/43/90/98/644439098.db2.gz FYIAMIMEXASEAO-UHFFFAOYSA-N 2 2 242.367 -0.650 20 0 BBADLP C[C@H]1OCC[C@H]1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923459543 644439129 /nfs/dbraw/zinc/43/91/29/644439129.db2.gz DLKQRUSQIPCBKW-NEPJUHHUSA-N 2 2 227.352 -0.094 20 0 BBADLP C[C@@H]1OCC[C@@H]1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923459544 644439257 /nfs/dbraw/zinc/43/92/57/644439257.db2.gz DLKQRUSQIPCBKW-NWDGAFQWSA-N 2 2 227.352 -0.094 20 0 BBADLP C[C@@H]1OCC[C@H]1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923459545 644439872 /nfs/dbraw/zinc/43/98/72/644439872.db2.gz DLKQRUSQIPCBKW-RYUDHWBXSA-N 2 2 227.352 -0.094 20 0 BBADLP C[C@H]1OCC[C@@H]1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923459546 644440262 /nfs/dbraw/zinc/44/02/62/644440262.db2.gz DLKQRUSQIPCBKW-VXGBXAGGSA-N 2 2 227.352 -0.094 20 0 BBADLP COCCC[N@@H+]1CCNCC[NH2+]CC1 ZINC000923459735 644435704 /nfs/dbraw/zinc/43/57/04/644435704.db2.gz DUUAURVWWAGKFR-UHFFFAOYSA-N 2 2 201.314 -0.482 20 0 BBADLP CC[C@H](O)C[N@H+]1CCNCC[NH2+]CC1 ZINC000923459938 644438876 /nfs/dbraw/zinc/43/88/76/644438876.db2.gz IBGXXSHVNGLTTI-JTQLQIEISA-N 2 2 201.314 -0.748 20 0 BBADLP CC[C@H](O)C[N@@H+]1CCNCC[NH2+]CC1 ZINC000923459938 644438870 /nfs/dbraw/zinc/43/88/70/644438870.db2.gz IBGXXSHVNGLTTI-JTQLQIEISA-N 2 2 201.314 -0.748 20 0 BBADLP CC[C@H](O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923459938 644438858 /nfs/dbraw/zinc/43/88/58/644438858.db2.gz IBGXXSHVNGLTTI-JTQLQIEISA-N 2 2 201.314 -0.748 20 0 BBADLP COC[C@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923460027 644437280 /nfs/dbraw/zinc/43/72/80/644437280.db2.gz KVCJAJJTEATLPE-JTQLQIEISA-N 2 2 201.314 -0.484 20 0 BBADLP COC[C@@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923460029 644437184 /nfs/dbraw/zinc/43/71/84/644437184.db2.gz KVCJAJJTEATLPE-SNVBAGLBSA-N 2 2 201.314 -0.484 20 0 BBADLP Cc1nc([C@@H](C)N2CC[NH2+]CC[NH2+]CC2)n[nH]1 ZINC000923460102 644442996 /nfs/dbraw/zinc/44/29/96/644442996.db2.gz PYDUTIHMDBMESC-SECBINFHSA-N 2 2 238.339 -0.331 20 0 BBADLP Cc1nc([C@H](C)N2CC[NH2+]CC[NH2+]CC2)n[nH]1 ZINC000923460103 644444042 /nfs/dbraw/zinc/44/40/42/644444042.db2.gz PYDUTIHMDBMESC-VIFPVBQESA-N 2 2 238.339 -0.331 20 0 BBADLP COC(=O)CCCC[N@H+]1CCNCC[NH2+]CC1 ZINC000923460492 644446552 /nfs/dbraw/zinc/44/65/52/644446552.db2.gz PGTWGVTUPWRLHB-UHFFFAOYSA-N 2 2 243.351 -0.176 20 0 BBADLP COC(=O)CCCC[N@@H+]1CCNCC[NH2+]CC1 ZINC000923460492 644446546 /nfs/dbraw/zinc/44/65/46/644446546.db2.gz PGTWGVTUPWRLHB-UHFFFAOYSA-N 2 2 243.351 -0.176 20 0 BBADLP COC(=O)CCCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923460492 644446542 /nfs/dbraw/zinc/44/65/42/644446542.db2.gz PGTWGVTUPWRLHB-UHFFFAOYSA-N 2 2 243.351 -0.176 20 0 BBADLP C(CN1CC[NH2+]CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000923460775 644446625 /nfs/dbraw/zinc/44/66/25/644446625.db2.gz VGWLPAZVPOCPMH-GFCCVEGCSA-N 3 2 226.368 -0.519 20 0 BBADLP C(CN1CC[NH2+]CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000923460776 644447462 /nfs/dbraw/zinc/44/74/62/644447462.db2.gz VGWLPAZVPOCPMH-LBPRGKRZSA-N 3 2 226.368 -0.519 20 0 BBADLP CO[C@H]1C[C@@H](CN2CC[NH2+]CC[NH2+]CC2)C1 ZINC000923460830 644446215 /nfs/dbraw/zinc/44/62/15/644446215.db2.gz RUNHSXGATGCGRQ-TXEJJXNPSA-N 2 2 227.352 -0.094 20 0 BBADLP COC1CC(CN2CC[NH2+]CC[NH2+]CC2)C1 ZINC000923460831 644447124 /nfs/dbraw/zinc/44/71/24/644447124.db2.gz RUNHSXGATGCGRQ-UHFFFAOYSA-N 2 2 227.352 -0.094 20 0 BBADLP CCOCCC[N@H+]1CCNCC[NH2+]CC1 ZINC000923461076 644445608 /nfs/dbraw/zinc/44/56/08/644445608.db2.gz LIAQIPPTAVVSKY-UHFFFAOYSA-N 2 2 215.341 -0.092 20 0 BBADLP CCOCCC[N@@H+]1CCNCC[NH2+]CC1 ZINC000923461076 644445576 /nfs/dbraw/zinc/44/55/76/644445576.db2.gz LIAQIPPTAVVSKY-UHFFFAOYSA-N 2 2 215.341 -0.092 20 0 BBADLP CCOCCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923461076 644445568 /nfs/dbraw/zinc/44/55/68/644445568.db2.gz LIAQIPPTAVVSKY-UHFFFAOYSA-N 2 2 215.341 -0.092 20 0 BBADLP [NH3+][C@@H]1CC[C@H](CN2CC[NH2+]CC[NH2+]CC2)C1 ZINC000923461195 644445560 /nfs/dbraw/zinc/44/55/60/644445560.db2.gz UFSHFZFRUGQPDH-NWDGAFQWSA-N 3 2 226.368 -0.391 20 0 BBADLP COCCCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923461833 644445307 /nfs/dbraw/zinc/44/53/07/644445307.db2.gz XJLFQKRRIGQZCJ-UHFFFAOYSA-N 2 2 215.341 -0.092 20 0 BBADLP COCCCC[N@H+]1CCNCC[NH2+]CC1 ZINC000923461833 644445305 /nfs/dbraw/zinc/44/53/05/644445305.db2.gz XJLFQKRRIGQZCJ-UHFFFAOYSA-N 2 2 215.341 -0.092 20 0 BBADLP COCCCC[N@@H+]1CCNCC[NH2+]CC1 ZINC000923461833 644445299 /nfs/dbraw/zinc/44/52/99/644445299.db2.gz XJLFQKRRIGQZCJ-UHFFFAOYSA-N 2 2 215.341 -0.092 20 0 BBADLP C(CN1CC[NH2+]CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000923462013 644447085 /nfs/dbraw/zinc/44/70/85/644447085.db2.gz APLBSOJTXZNMQI-UHFFFAOYSA-N 3 2 240.395 -0.129 20 0 BBADLP C(CN1CC[NH2+]CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000923462086 644445718 /nfs/dbraw/zinc/44/57/18/644445718.db2.gz CHRIXDKHDNRBMT-CYBMUJFWSA-N 3 2 240.395 -0.129 20 0 BBADLP C(CN1CC[NH2+]CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000923462087 644447643 /nfs/dbraw/zinc/44/76/43/644447643.db2.gz CHRIXDKHDNRBMT-ZDUSSCGKSA-N 3 2 240.395 -0.129 20 0 BBADLP C(C1CCOCC1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923462529 644447635 /nfs/dbraw/zinc/44/76/35/644447635.db2.gz JWUYZBNQAUEOOZ-UHFFFAOYSA-N 2 2 227.352 -0.092 20 0 BBADLP COCC[C@@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923462592 644446597 /nfs/dbraw/zinc/44/65/97/644446597.db2.gz LSHIOBJFCIJVJV-LLVKDONJSA-N 2 2 215.341 -0.094 20 0 BBADLP COCC[C@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923462594 644445374 /nfs/dbraw/zinc/44/53/74/644445374.db2.gz LSHIOBJFCIJVJV-NSHDSACASA-N 2 2 215.341 -0.094 20 0 BBADLP C(C1CC[NH2+]CC1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923463484 644450298 /nfs/dbraw/zinc/45/02/98/644450298.db2.gz SJFRFLBDJBKZHU-UHFFFAOYSA-N 3 2 226.368 -0.519 20 0 BBADLP CCOCC[C@@H](O)C[N@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923470637 644448939 /nfs/dbraw/zinc/44/89/39/644448939.db2.gz JJQDTVFLLWNLNG-NEPJUHHUSA-N 2 2 246.351 -0.441 20 0 BBADLP CCOCC[C@@H](O)C[N@@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923470637 644448934 /nfs/dbraw/zinc/44/89/34/644448934.db2.gz JJQDTVFLLWNLNG-NEPJUHHUSA-N 2 2 246.351 -0.441 20 0 BBADLP CN(C)C(=O)CC[N@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923470774 644450141 /nfs/dbraw/zinc/45/01/41/644450141.db2.gz ANRIJRGUFBRSMI-LLVKDONJSA-N 2 2 229.324 -0.750 20 0 BBADLP CN(C)C(=O)CC[N@@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923470774 644450136 /nfs/dbraw/zinc/45/01/36/644450136.db2.gz ANRIJRGUFBRSMI-LLVKDONJSA-N 2 2 229.324 -0.750 20 0 BBADLP CN(C)C(=O)CC[N@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923470778 644449120 /nfs/dbraw/zinc/44/91/20/644449120.db2.gz ANRIJRGUFBRSMI-NSHDSACASA-N 2 2 229.324 -0.750 20 0 BBADLP CN(C)C(=O)CC[N@@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923470778 644449118 /nfs/dbraw/zinc/44/91/18/644449118.db2.gz ANRIJRGUFBRSMI-NSHDSACASA-N 2 2 229.324 -0.750 20 0 BBADLP CCOCC[C@H](O)C[N@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923471100 644448712 /nfs/dbraw/zinc/44/87/12/644448712.db2.gz JJQDTVFLLWNLNG-NWDGAFQWSA-N 2 2 246.351 -0.441 20 0 BBADLP CCOCC[C@H](O)C[N@@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923471100 644448708 /nfs/dbraw/zinc/44/87/08/644448708.db2.gz JJQDTVFLLWNLNG-NWDGAFQWSA-N 2 2 246.351 -0.441 20 0 BBADLP CCOCC[C@H](O)C[N@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923471101 644449376 /nfs/dbraw/zinc/44/93/76/644449376.db2.gz JJQDTVFLLWNLNG-RYUDHWBXSA-N 2 2 246.351 -0.441 20 0 BBADLP CCOCC[C@H](O)C[N@@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923471101 644449369 /nfs/dbraw/zinc/44/93/69/644449369.db2.gz JJQDTVFLLWNLNG-RYUDHWBXSA-N 2 2 246.351 -0.441 20 0 BBADLP CCOCC[C@@H](O)C[N@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923471102 644449994 /nfs/dbraw/zinc/44/99/94/644449994.db2.gz JJQDTVFLLWNLNG-VXGBXAGGSA-N 2 2 246.351 -0.441 20 0 BBADLP CCOCC[C@@H](O)C[N@@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923471102 644449992 /nfs/dbraw/zinc/44/99/92/644449992.db2.gz JJQDTVFLLWNLNG-VXGBXAGGSA-N 2 2 246.351 -0.441 20 0 BBADLP CC[C@H](O)C[N@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923471359 644449516 /nfs/dbraw/zinc/44/95/16/644449516.db2.gz LWBUEOUJBCQCRN-UWVGGRQHSA-N 2 2 202.298 -0.457 20 0 BBADLP CC[C@H](O)C[N@@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923471359 644449513 /nfs/dbraw/zinc/44/95/13/644449513.db2.gz LWBUEOUJBCQCRN-UWVGGRQHSA-N 2 2 202.298 -0.457 20 0 BBADLP CC[C@H](O)C[N@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923471364 644448912 /nfs/dbraw/zinc/44/89/12/644448912.db2.gz LWBUEOUJBCQCRN-VHSXEESVSA-N 2 2 202.298 -0.457 20 0 BBADLP CC[C@H](O)C[N@@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923471364 644448908 /nfs/dbraw/zinc/44/89/08/644448908.db2.gz LWBUEOUJBCQCRN-VHSXEESVSA-N 2 2 202.298 -0.457 20 0 BBADLP CSC[C@H](O)C[N@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923473752 644450817 /nfs/dbraw/zinc/45/08/17/644450817.db2.gz VNEUKHSCLHEQBO-NXEZZACHSA-N 2 2 234.365 -0.504 20 0 BBADLP CSC[C@H](O)C[N@@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923473752 644450813 /nfs/dbraw/zinc/45/08/13/644450813.db2.gz VNEUKHSCLHEQBO-NXEZZACHSA-N 2 2 234.365 -0.504 20 0 BBADLP CSC[C@@H](O)C[N@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923473753 644452006 /nfs/dbraw/zinc/45/20/06/644452006.db2.gz VNEUKHSCLHEQBO-UWVGGRQHSA-N 2 2 234.365 -0.504 20 0 BBADLP CSC[C@@H](O)C[N@@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923473753 644452003 /nfs/dbraw/zinc/45/20/03/644452003.db2.gz VNEUKHSCLHEQBO-UWVGGRQHSA-N 2 2 234.365 -0.504 20 0 BBADLP CSC[C@@H](O)C[N@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923473754 644451493 /nfs/dbraw/zinc/45/14/93/644451493.db2.gz VNEUKHSCLHEQBO-VHSXEESVSA-N 2 2 234.365 -0.504 20 0 BBADLP CSC[C@@H](O)C[N@@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923473754 644451487 /nfs/dbraw/zinc/45/14/87/644451487.db2.gz VNEUKHSCLHEQBO-VHSXEESVSA-N 2 2 234.365 -0.504 20 0 BBADLP CSC[C@H](O)C[N@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923473755 644451123 /nfs/dbraw/zinc/45/11/23/644451123.db2.gz VNEUKHSCLHEQBO-ZJUUUORDSA-N 2 2 234.365 -0.504 20 0 BBADLP CSC[C@H](O)C[N@@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923473755 644451110 /nfs/dbraw/zinc/45/11/10/644451110.db2.gz VNEUKHSCLHEQBO-ZJUUUORDSA-N 2 2 234.365 -0.504 20 0 BBADLP CCN(C)C(=O)CC[N@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923473785 644451964 /nfs/dbraw/zinc/45/19/64/644451964.db2.gz UTAYOEDRGIWZAG-GFCCVEGCSA-N 2 2 243.351 -0.360 20 0 BBADLP CCN(C)C(=O)CC[N@@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923473785 644451958 /nfs/dbraw/zinc/45/19/58/644451958.db2.gz UTAYOEDRGIWZAG-GFCCVEGCSA-N 2 2 243.351 -0.360 20 0 BBADLP CCN(C)C(=O)CC[N@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923473786 644452241 /nfs/dbraw/zinc/45/22/41/644452241.db2.gz UTAYOEDRGIWZAG-LBPRGKRZSA-N 2 2 243.351 -0.360 20 0 BBADLP CCN(C)C(=O)CC[N@@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923473786 644452239 /nfs/dbraw/zinc/45/22/39/644452239.db2.gz UTAYOEDRGIWZAG-LBPRGKRZSA-N 2 2 243.351 -0.360 20 0 BBADLP COC[C@@H](C[N@H+]1CCC[C@]([NH3+])(CO)C1)OC ZINC000923474036 644452260 /nfs/dbraw/zinc/45/22/60/644452260.db2.gz FRBDICOSOBRORN-GHMZBOCLSA-N 2 2 232.324 -0.567 20 0 BBADLP COC[C@@H](C[N@@H+]1CCC[C@]([NH3+])(CO)C1)OC ZINC000923474036 644452256 /nfs/dbraw/zinc/45/22/56/644452256.db2.gz FRBDICOSOBRORN-GHMZBOCLSA-N 2 2 232.324 -0.567 20 0 BBADLP COC[C@@H](C[N@H+]1CCC[C@@]([NH3+])(CO)C1)OC ZINC000923474037 644451242 /nfs/dbraw/zinc/45/12/42/644451242.db2.gz FRBDICOSOBRORN-MNOVXSKESA-N 2 2 232.324 -0.567 20 0 BBADLP COC[C@@H](C[N@@H+]1CCC[C@@]([NH3+])(CO)C1)OC ZINC000923474037 644451239 /nfs/dbraw/zinc/45/12/39/644451239.db2.gz FRBDICOSOBRORN-MNOVXSKESA-N 2 2 232.324 -0.567 20 0 BBADLP COC[C@H](C[N@H+]1CCC[C@@]([NH3+])(CO)C1)OC ZINC000923474038 644451578 /nfs/dbraw/zinc/45/15/78/644451578.db2.gz FRBDICOSOBRORN-QWRGUYRKSA-N 2 2 232.324 -0.567 20 0 BBADLP COC[C@H](C[N@@H+]1CCC[C@@]([NH3+])(CO)C1)OC ZINC000923474038 644451574 /nfs/dbraw/zinc/45/15/74/644451574.db2.gz FRBDICOSOBRORN-QWRGUYRKSA-N 2 2 232.324 -0.567 20 0 BBADLP COC[C@H](C[N@H+]1CCC[C@]([NH3+])(CO)C1)OC ZINC000923474039 644451172 /nfs/dbraw/zinc/45/11/72/644451172.db2.gz FRBDICOSOBRORN-WDEREUQCSA-N 2 2 232.324 -0.567 20 0 BBADLP COC[C@H](C[N@@H+]1CCC[C@]([NH3+])(CO)C1)OC ZINC000923474039 644451170 /nfs/dbraw/zinc/45/11/70/644451170.db2.gz FRBDICOSOBRORN-WDEREUQCSA-N 2 2 232.324 -0.567 20 0 BBADLP COC[C@@H](C)[N@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923475034 644452686 /nfs/dbraw/zinc/45/26/86/644452686.db2.gz ZWBIGZHGSUYQBL-NXEZZACHSA-N 2 2 202.298 -0.193 20 0 BBADLP COC[C@@H](C)[N@@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923475034 644452681 /nfs/dbraw/zinc/45/26/81/644452681.db2.gz ZWBIGZHGSUYQBL-NXEZZACHSA-N 2 2 202.298 -0.193 20 0 BBADLP COC[C@H](C)[N@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923475035 644454303 /nfs/dbraw/zinc/45/43/03/644454303.db2.gz ZWBIGZHGSUYQBL-UWVGGRQHSA-N 2 2 202.298 -0.193 20 0 BBADLP COC[C@H](C)[N@@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923475035 644454296 /nfs/dbraw/zinc/45/42/96/644454296.db2.gz ZWBIGZHGSUYQBL-UWVGGRQHSA-N 2 2 202.298 -0.193 20 0 BBADLP COC[C@H](C)[N@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923475036 644454851 /nfs/dbraw/zinc/45/48/51/644454851.db2.gz ZWBIGZHGSUYQBL-VHSXEESVSA-N 2 2 202.298 -0.193 20 0 BBADLP COC[C@H](C)[N@@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923475036 644454850 /nfs/dbraw/zinc/45/48/50/644454850.db2.gz ZWBIGZHGSUYQBL-VHSXEESVSA-N 2 2 202.298 -0.193 20 0 BBADLP COC[C@@H](C)[N@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923475037 644453430 /nfs/dbraw/zinc/45/34/30/644453430.db2.gz ZWBIGZHGSUYQBL-ZJUUUORDSA-N 2 2 202.298 -0.193 20 0 BBADLP COC[C@@H](C)[N@@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923475037 644453429 /nfs/dbraw/zinc/45/34/29/644453429.db2.gz ZWBIGZHGSUYQBL-ZJUUUORDSA-N 2 2 202.298 -0.193 20 0 BBADLP Cn1c[nH+]cc1CN1CCC[C@]([NH3+])(CO)C1 ZINC000923476336 644453963 /nfs/dbraw/zinc/45/39/63/644453963.db2.gz CDCWHLXCCZRSHW-LLVKDONJSA-N 2 2 224.308 -0.294 20 0 BBADLP Cn1c[nH+]cc1CN1CCC[C@@]([NH3+])(CO)C1 ZINC000923476337 644453085 /nfs/dbraw/zinc/45/30/85/644453085.db2.gz CDCWHLXCCZRSHW-NSHDSACASA-N 2 2 224.308 -0.294 20 0 BBADLP CCOCC[N@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923476961 644456792 /nfs/dbraw/zinc/45/67/92/644456792.db2.gz LSOFTSVNCVOQFQ-JTQLQIEISA-N 2 2 202.298 -0.192 20 0 BBADLP CCOCC[N@@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923476961 644456785 /nfs/dbraw/zinc/45/67/85/644456785.db2.gz LSOFTSVNCVOQFQ-JTQLQIEISA-N 2 2 202.298 -0.192 20 0 BBADLP CCOCC[N@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923476962 644457334 /nfs/dbraw/zinc/45/73/34/644457334.db2.gz LSOFTSVNCVOQFQ-SNVBAGLBSA-N 2 2 202.298 -0.192 20 0 BBADLP CCOCC[N@@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923476962 644457331 /nfs/dbraw/zinc/45/73/31/644457331.db2.gz LSOFTSVNCVOQFQ-SNVBAGLBSA-N 2 2 202.298 -0.192 20 0 BBADLP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000923481659 644459166 /nfs/dbraw/zinc/45/91/66/644459166.db2.gz UAMAGRMBGMFMMT-GHMZBOCLSA-N 3 2 213.325 -0.355 20 0 BBADLP [NH3+]CC[C@@H]1CC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000923481659 644459162 /nfs/dbraw/zinc/45/91/62/644459162.db2.gz UAMAGRMBGMFMMT-GHMZBOCLSA-N 3 2 213.325 -0.355 20 0 BBADLP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000923481660 644460464 /nfs/dbraw/zinc/46/04/64/644460464.db2.gz UAMAGRMBGMFMMT-MNOVXSKESA-N 3 2 213.325 -0.355 20 0 BBADLP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000923481660 644460461 /nfs/dbraw/zinc/46/04/61/644460461.db2.gz UAMAGRMBGMFMMT-MNOVXSKESA-N 3 2 213.325 -0.355 20 0 BBADLP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000923481661 644459039 /nfs/dbraw/zinc/45/90/39/644459039.db2.gz UAMAGRMBGMFMMT-QWRGUYRKSA-N 3 2 213.325 -0.355 20 0 BBADLP [NH3+]CC[C@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000923481661 644459034 /nfs/dbraw/zinc/45/90/34/644459034.db2.gz UAMAGRMBGMFMMT-QWRGUYRKSA-N 3 2 213.325 -0.355 20 0 BBADLP [NH3+]CC[C@H]1CC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000923481662 644458213 /nfs/dbraw/zinc/45/82/13/644458213.db2.gz UAMAGRMBGMFMMT-WDEREUQCSA-N 3 2 213.325 -0.355 20 0 BBADLP [NH3+]CC[C@H]1CC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000923481662 644458208 /nfs/dbraw/zinc/45/82/08/644458208.db2.gz UAMAGRMBGMFMMT-WDEREUQCSA-N 3 2 213.325 -0.355 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@H]2C[NH2+]CCO2)CC[C@H]1C[NH3+] ZINC000923491391 644464618 /nfs/dbraw/zinc/46/46/18/644464618.db2.gz RHUDDXGGRPDYAT-GRYCIOLGSA-N 3 2 227.352 -0.109 20 0 BBADLP C[C@@H]1C[N@H+](C[C@H]2C[NH2+]CCO2)CC[C@H]1C[NH3+] ZINC000923491391 644464612 /nfs/dbraw/zinc/46/46/12/644464612.db2.gz RHUDDXGGRPDYAT-GRYCIOLGSA-N 3 2 227.352 -0.109 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@H]2C[NH2+]CCO2)CC[C@@H]1C[NH3+] ZINC000923491394 644465896 /nfs/dbraw/zinc/46/58/96/644465896.db2.gz RHUDDXGGRPDYAT-IJLUTSLNSA-N 3 2 227.352 -0.109 20 0 BBADLP C[C@@H]1C[N@H+](C[C@H]2C[NH2+]CCO2)CC[C@@H]1C[NH3+] ZINC000923491394 644465892 /nfs/dbraw/zinc/46/58/92/644465892.db2.gz RHUDDXGGRPDYAT-IJLUTSLNSA-N 3 2 227.352 -0.109 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]CCO2)CC[C@@H]1C[NH3+] ZINC000923491396 644464736 /nfs/dbraw/zinc/46/47/36/644464736.db2.gz RHUDDXGGRPDYAT-UTUOFQBUSA-N 3 2 227.352 -0.109 20 0 BBADLP C[C@@H]1C[N@H+](C[C@@H]2C[NH2+]CCO2)CC[C@@H]1C[NH3+] ZINC000923491396 644464733 /nfs/dbraw/zinc/46/47/33/644464733.db2.gz RHUDDXGGRPDYAT-UTUOFQBUSA-N 3 2 227.352 -0.109 20 0 BBADLP C[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]CCO2)CC[C@H]1C[NH3+] ZINC000923491397 644465716 /nfs/dbraw/zinc/46/57/16/644465716.db2.gz RHUDDXGGRPDYAT-WOPDTQHZSA-N 3 2 227.352 -0.109 20 0 BBADLP C[C@@H]1C[N@H+](C[C@@H]2C[NH2+]CCO2)CC[C@H]1C[NH3+] ZINC000923491397 644465713 /nfs/dbraw/zinc/46/57/13/644465713.db2.gz RHUDDXGGRPDYAT-WOPDTQHZSA-N 3 2 227.352 -0.109 20 0 BBADLP C[C@@H]1C[N@@H+](Cc2nnn(C)n2)CC[C@H]1C[NH3+] ZINC000923495721 644461181 /nfs/dbraw/zinc/46/11/81/644461181.db2.gz WUCSAZJHXWPACT-BDAKNGLRSA-N 2 2 224.312 -0.373 20 0 BBADLP C[C@@H]1C[N@H+](Cc2nnn(C)n2)CC[C@H]1C[NH3+] ZINC000923495721 644461176 /nfs/dbraw/zinc/46/11/76/644461176.db2.gz WUCSAZJHXWPACT-BDAKNGLRSA-N 2 2 224.312 -0.373 20 0 BBADLP C[C@H]1C[N@@H+](Cc2nnn(C)n2)CC[C@@H]1C[NH3+] ZINC000923495722 644462150 /nfs/dbraw/zinc/46/21/50/644462150.db2.gz WUCSAZJHXWPACT-DTWKUNHWSA-N 2 2 224.312 -0.373 20 0 BBADLP C[C@H]1C[N@H+](Cc2nnn(C)n2)CC[C@@H]1C[NH3+] ZINC000923495722 644462148 /nfs/dbraw/zinc/46/21/48/644462148.db2.gz WUCSAZJHXWPACT-DTWKUNHWSA-N 2 2 224.312 -0.373 20 0 BBADLP C[C@H]1C[N@@H+](Cc2nnn(C)n2)CC[C@H]1C[NH3+] ZINC000923495723 644463530 /nfs/dbraw/zinc/46/35/30/644463530.db2.gz WUCSAZJHXWPACT-IUCAKERBSA-N 2 2 224.312 -0.373 20 0 BBADLP C[C@H]1C[N@H+](Cc2nnn(C)n2)CC[C@H]1C[NH3+] ZINC000923495723 644463517 /nfs/dbraw/zinc/46/35/17/644463517.db2.gz WUCSAZJHXWPACT-IUCAKERBSA-N 2 2 224.312 -0.373 20 0 BBADLP C[C@@H]1C[N@@H+](Cc2nnn(C)n2)CC[C@@H]1C[NH3+] ZINC000923495724 644463336 /nfs/dbraw/zinc/46/33/36/644463336.db2.gz WUCSAZJHXWPACT-RKDXNWHRSA-N 2 2 224.312 -0.373 20 0 BBADLP C[C@@H]1C[N@H+](Cc2nnn(C)n2)CC[C@@H]1C[NH3+] ZINC000923495724 644463333 /nfs/dbraw/zinc/46/33/33/644463333.db2.gz WUCSAZJHXWPACT-RKDXNWHRSA-N 2 2 224.312 -0.373 20 0 BBADLP CSC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000923510182 644477295 /nfs/dbraw/zinc/47/72/95/644477295.db2.gz WSHWFFCDXZTOKC-HRDYMLBCSA-N 2 2 204.339 -0.011 20 0 BBADLP CSC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000923510182 644477292 /nfs/dbraw/zinc/47/72/92/644477292.db2.gz WSHWFFCDXZTOKC-HRDYMLBCSA-N 2 2 204.339 -0.011 20 0 BBADLP C[C@@H]1C[N@@H+](CCC(=O)N2CCOCC2)C[C@H]1[NH3+] ZINC000923512694 644483418 /nfs/dbraw/zinc/48/34/18/644483418.db2.gz VKXZKKSJBHTELB-GHMZBOCLSA-N 2 2 241.335 -0.486 20 0 BBADLP C[C@@H]1C[N@H+](CCC(=O)N2CCOCC2)C[C@H]1[NH3+] ZINC000923512694 644483412 /nfs/dbraw/zinc/48/34/12/644483412.db2.gz VKXZKKSJBHTELB-GHMZBOCLSA-N 2 2 241.335 -0.486 20 0 BBADLP CS(=O)(=O)NCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519581 644483203 /nfs/dbraw/zinc/48/32/03/644483203.db2.gz UPYDCFWKDANTOT-VHSXEESVSA-N 2 2 247.364 -0.923 20 0 BBADLP CS(=O)(=O)NCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519581 644483198 /nfs/dbraw/zinc/48/31/98/644483198.db2.gz UPYDCFWKDANTOT-VHSXEESVSA-N 2 2 247.364 -0.923 20 0 BBADLP COC(=O)[C@]12C[C@H]1CCC[N@H+]2CCOCC[NH3+] ZINC000923552313 644493768 /nfs/dbraw/zinc/49/37/68/644493768.db2.gz VGERNVKLRJWZMD-PWSUYJOCSA-N 2 2 242.319 -0.011 20 0 BBADLP COC(=O)[C@]12C[C@H]1CCC[N@@H+]2CCOCC[NH3+] ZINC000923552313 644493762 /nfs/dbraw/zinc/49/37/62/644493762.db2.gz VGERNVKLRJWZMD-PWSUYJOCSA-N 2 2 242.319 -0.011 20 0 BBADLP COC[C@H]1COCC[N@H+]1CCOCC[NH3+] ZINC000923555530 644498616 /nfs/dbraw/zinc/49/86/16/644498616.db2.gz BCIZYKKTKMOVRL-JTQLQIEISA-N 2 2 218.297 -0.691 20 0 BBADLP COC[C@H]1COCC[N@@H+]1CCOCC[NH3+] ZINC000923555530 644498610 /nfs/dbraw/zinc/49/86/10/644498610.db2.gz BCIZYKKTKMOVRL-JTQLQIEISA-N 2 2 218.297 -0.691 20 0 BBADLP COC[C@@H]1COCC[N@H+]1CCOCC[NH3+] ZINC000923555533 644499038 /nfs/dbraw/zinc/49/90/38/644499038.db2.gz BCIZYKKTKMOVRL-SNVBAGLBSA-N 2 2 218.297 -0.691 20 0 BBADLP COC[C@@H]1COCC[N@@H+]1CCOCC[NH3+] ZINC000923555533 644499034 /nfs/dbraw/zinc/49/90/34/644499034.db2.gz BCIZYKKTKMOVRL-SNVBAGLBSA-N 2 2 218.297 -0.691 20 0 BBADLP COC[C@@H]1COCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000923557672 644500839 /nfs/dbraw/zinc/50/08/39/644500839.db2.gz NCMCPEHGYITQGT-GFCCVEGCSA-N 2 2 243.351 -0.761 20 0 BBADLP COC[C@@H]1COCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000923557672 644500834 /nfs/dbraw/zinc/50/08/34/644500834.db2.gz NCMCPEHGYITQGT-GFCCVEGCSA-N 2 2 243.351 -0.761 20 0 BBADLP COC[C@H]1COCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000923557673 644502011 /nfs/dbraw/zinc/50/20/11/644502011.db2.gz NCMCPEHGYITQGT-LBPRGKRZSA-N 2 2 243.351 -0.761 20 0 BBADLP COC[C@H]1COCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000923557673 644502008 /nfs/dbraw/zinc/50/20/08/644502008.db2.gz NCMCPEHGYITQGT-LBPRGKRZSA-N 2 2 243.351 -0.761 20 0 BBADLP O=S(=O)(C1C[NH2+]C1)N1CCc2c[nH+]ccc21 ZINC000923627415 645760160 /nfs/dbraw/zinc/76/01/60/645760160.db2.gz UTVVFTPNFFALCP-UHFFFAOYSA-N 2 2 239.300 -0.254 20 0 BBADLP CC1(C)CNC(=O)[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000924550262 646066705 /nfs/dbraw/zinc/06/67/05/646066705.db2.gz BLPVGIMIRFEEDQ-SECBINFHSA-N 2 2 222.292 -0.003 20 0 BBADLP CC1(C)CNC(=O)[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000924550263 646066391 /nfs/dbraw/zinc/06/63/91/646066391.db2.gz BLPVGIMIRFEEDQ-VIFPVBQESA-N 2 2 222.292 -0.003 20 0 BBADLP C[NH+](C)C[C@H](O)C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000924995530 646155020 /nfs/dbraw/zinc/15/50/20/646155020.db2.gz WTRYJVBFNHWDIJ-BDAKNGLRSA-N 2 2 229.324 -0.977 20 0 BBADLP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000924995535 646154265 /nfs/dbraw/zinc/15/42/65/646154265.db2.gz WTRYJVBFNHWDIJ-DTWKUNHWSA-N 2 2 229.324 -0.977 20 0 BBADLP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000924995537 646155340 /nfs/dbraw/zinc/15/53/40/646155340.db2.gz WTRYJVBFNHWDIJ-IUCAKERBSA-N 2 2 229.324 -0.977 20 0 BBADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000924995538 646154945 /nfs/dbraw/zinc/15/49/45/646154945.db2.gz WTRYJVBFNHWDIJ-RKDXNWHRSA-N 2 2 229.324 -0.977 20 0 BBADLP C[N@H+]1CC[C@H]1CNC(=O)N1CC[NH+](C)CC1 ZINC000925399114 646259450 /nfs/dbraw/zinc/25/94/50/646259450.db2.gz ZWLBODLZEKNLRC-JTQLQIEISA-N 2 2 226.324 -0.353 20 0 BBADLP C[N@@H+]1CC[C@H]1CNC(=O)N1CC[NH+](C)CC1 ZINC000925399114 646259445 /nfs/dbraw/zinc/25/94/45/646259445.db2.gz ZWLBODLZEKNLRC-JTQLQIEISA-N 2 2 226.324 -0.353 20 0 BBADLP C[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](C)CC1 ZINC000925399117 646258522 /nfs/dbraw/zinc/25/85/22/646258522.db2.gz ZWLBODLZEKNLRC-SNVBAGLBSA-N 2 2 226.324 -0.353 20 0 BBADLP C[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](C)CC1 ZINC000925399117 646258511 /nfs/dbraw/zinc/25/85/11/646258511.db2.gz ZWLBODLZEKNLRC-SNVBAGLBSA-N 2 2 226.324 -0.353 20 0 BBADLP C[N@H+]1CC[C@@H]1CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000925429210 646278130 /nfs/dbraw/zinc/27/81/30/646278130.db2.gz ODDXLZBQWBXQHF-NXEZZACHSA-N 2 2 249.318 -0.189 20 0 BBADLP C[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000925429210 646278121 /nfs/dbraw/zinc/27/81/21/646278121.db2.gz ODDXLZBQWBXQHF-NXEZZACHSA-N 2 2 249.318 -0.189 20 0 BBADLP C[N@H+]1CC[C@H]1CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000925429211 646279551 /nfs/dbraw/zinc/27/95/51/646279551.db2.gz ODDXLZBQWBXQHF-UWVGGRQHSA-N 2 2 249.318 -0.189 20 0 BBADLP C[N@@H+]1CC[C@H]1CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000925429211 646279543 /nfs/dbraw/zinc/27/95/43/646279543.db2.gz ODDXLZBQWBXQHF-UWVGGRQHSA-N 2 2 249.318 -0.189 20 0 BBADLP C[N@H+]1CC[C@@H]1CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000925429212 646280156 /nfs/dbraw/zinc/28/01/56/646280156.db2.gz ODDXLZBQWBXQHF-VHSXEESVSA-N 2 2 249.318 -0.189 20 0 BBADLP C[N@@H+]1CC[C@@H]1CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000925429212 646280151 /nfs/dbraw/zinc/28/01/51/646280151.db2.gz ODDXLZBQWBXQHF-VHSXEESVSA-N 2 2 249.318 -0.189 20 0 BBADLP C[N@H+]1CC[C@H]1CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000925429213 646278813 /nfs/dbraw/zinc/27/88/13/646278813.db2.gz ODDXLZBQWBXQHF-ZJUUUORDSA-N 2 2 249.318 -0.189 20 0 BBADLP C[N@@H+]1CC[C@H]1CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000925429213 646278806 /nfs/dbraw/zinc/27/88/06/646278806.db2.gz ODDXLZBQWBXQHF-ZJUUUORDSA-N 2 2 249.318 -0.189 20 0 BBADLP COC[C@H](C)C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925479345 646291720 /nfs/dbraw/zinc/29/17/20/646291720.db2.gz GLLYZECBJSYJQL-NXEZZACHSA-N 2 2 202.298 -0.153 20 0 BBADLP COC[C@@H](C)C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925479346 646292264 /nfs/dbraw/zinc/29/22/64/646292264.db2.gz GLLYZECBJSYJQL-UWVGGRQHSA-N 2 2 202.298 -0.153 20 0 BBADLP COC[C@@H](C)C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925479347 646292799 /nfs/dbraw/zinc/29/27/99/646292799.db2.gz GLLYZECBJSYJQL-VHSXEESVSA-N 2 2 202.298 -0.153 20 0 BBADLP COC[C@H](C)C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925479348 646291096 /nfs/dbraw/zinc/29/10/96/646291096.db2.gz GLLYZECBJSYJQL-ZJUUUORDSA-N 2 2 202.298 -0.153 20 0 BBADLP C1CC([NH2+][C@H]2C[NH2+]CCOC2)CCO1 ZINC000925483765 646294470 /nfs/dbraw/zinc/29/44/70/646294470.db2.gz YEXHDCKLEWYYNG-JTQLQIEISA-N 2 2 200.282 -0.257 20 0 BBADLP C1CC([NH2+][C@@H]2C[NH2+]CCOC2)CCO1 ZINC000925483766 646293810 /nfs/dbraw/zinc/29/38/10/646293810.db2.gz YEXHDCKLEWYYNG-SNVBAGLBSA-N 2 2 200.282 -0.257 20 0 BBADLP C([NH2+][C@@H]1C[NH2+]CCOC1)[C@H]1CCCOC1 ZINC000925486372 645445339 /nfs/dbraw/zinc/44/53/39/645445339.db2.gz RBBHZOUUGJTIBT-GHMZBOCLSA-N 2 2 214.309 -0.009 20 0 BBADLP C([NH2+][C@H]1C[NH2+]CCOC1)[C@H]1CCCOC1 ZINC000925486374 645443356 /nfs/dbraw/zinc/44/33/56/645443356.db2.gz RBBHZOUUGJTIBT-MNOVXSKESA-N 2 2 214.309 -0.009 20 0 BBADLP C([NH2+][C@H]1C[NH2+]CCOC1)[C@@H]1CCCOC1 ZINC000925486375 645445966 /nfs/dbraw/zinc/44/59/66/645445966.db2.gz RBBHZOUUGJTIBT-QWRGUYRKSA-N 2 2 214.309 -0.009 20 0 BBADLP C([NH2+][C@@H]1C[NH2+]CCOC1)[C@@H]1CCCOC1 ZINC000925486376 645445190 /nfs/dbraw/zinc/44/51/90/645445190.db2.gz RBBHZOUUGJTIBT-WDEREUQCSA-N 2 2 214.309 -0.009 20 0 BBADLP CCOCCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925487000 646296912 /nfs/dbraw/zinc/29/69/12/646296912.db2.gz ALEGPGUJDPNSLC-JTQLQIEISA-N 2 2 202.298 -0.009 20 0 BBADLP CCOCCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925487001 646297684 /nfs/dbraw/zinc/29/76/84/646297684.db2.gz ALEGPGUJDPNSLC-SNVBAGLBSA-N 2 2 202.298 -0.009 20 0 BBADLP C[C@]1(C[NH2+][C@@H]2C[NH2+]CCOC2)CCOC1 ZINC000925487794 645491725 /nfs/dbraw/zinc/49/17/25/645491725.db2.gz OWPSIYNOCYJJOT-GHMZBOCLSA-N 2 2 214.309 -0.009 20 0 BBADLP C[C@@]1(C[NH2+][C@@H]2C[NH2+]CCOC2)CCOC1 ZINC000925487991 645491701 /nfs/dbraw/zinc/49/17/01/645491701.db2.gz OWPSIYNOCYJJOT-MNOVXSKESA-N 2 2 214.309 -0.009 20 0 BBADLP C[C@@]1(C[NH2+][C@H]2C[NH2+]CCOC2)CCOC1 ZINC000925487993 645491783 /nfs/dbraw/zinc/49/17/83/645491783.db2.gz OWPSIYNOCYJJOT-QWRGUYRKSA-N 2 2 214.309 -0.009 20 0 BBADLP C[C@]1(C[NH2+][C@H]2C[NH2+]CCOC2)CCOC1 ZINC000925487995 645491652 /nfs/dbraw/zinc/49/16/52/645491652.db2.gz OWPSIYNOCYJJOT-WDEREUQCSA-N 2 2 214.309 -0.009 20 0 BBADLP C[NH+]1CCC(C[NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925491318 646299626 /nfs/dbraw/zinc/29/96/26/646299626.db2.gz DVZMDBAIOOHRON-GFCCVEGCSA-N 3 2 227.352 -0.094 20 0 BBADLP C[NH+]1CCC(C[NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925491322 646299123 /nfs/dbraw/zinc/29/91/23/646299123.db2.gz DVZMDBAIOOHRON-LBPRGKRZSA-N 3 2 227.352 -0.094 20 0 BBADLP C(CN[C@@H]1C[NH2+]CCOC1)C[NH+]1CCOCC1 ZINC000925493034 646300055 /nfs/dbraw/zinc/30/00/55/646300055.db2.gz JQJYJBACCKRBBB-GFCCVEGCSA-N 2 2 243.351 -0.713 20 0 BBADLP C(CN[C@H]1C[NH2+]CCOC1)C[NH+]1CCOCC1 ZINC000925493040 646299482 /nfs/dbraw/zinc/29/94/82/646299482.db2.gz JQJYJBACCKRBBB-LBPRGKRZSA-N 2 2 243.351 -0.713 20 0 BBADLP C[C@H](O)C[C@H](C)C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925511037 633851111 /nfs/dbraw/zinc/85/11/11/633851111.db2.gz DZSAUMMPZROARL-DCAQKATOSA-N 2 2 216.325 -0.029 20 0 BBADLP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925511038 633852228 /nfs/dbraw/zinc/85/22/28/633852228.db2.gz DZSAUMMPZROARL-GARJFASQSA-N 2 2 216.325 -0.029 20 0 BBADLP C[C@@H](C[NH2+][C@@H]1C[NH2+]CCOC1)C[C@H](C)O ZINC000925511039 633851788 /nfs/dbraw/zinc/85/17/88/633851788.db2.gz DZSAUMMPZROARL-OUAUKWLOSA-N 2 2 216.325 -0.029 20 0 BBADLP C[C@@H](C[NH2+][C@H]1C[NH2+]CCOC1)C[C@H](C)O ZINC000925511040 633851141 /nfs/dbraw/zinc/85/11/41/633851141.db2.gz DZSAUMMPZROARL-VWYCJHECSA-N 2 2 216.325 -0.029 20 0 BBADLP C[C@H]([NH2+][C@H]1C[NH2+]CCOC1)[C@@H]1CCOC1 ZINC000925519155 633876408 /nfs/dbraw/zinc/87/64/08/633876408.db2.gz SKXYBAPSKJFOOB-AXFHLTTASA-N 2 2 214.309 -0.011 20 0 BBADLP C[C@H]([NH2+][C@H]1C[NH2+]CCOC1)[C@H]1CCOC1 ZINC000925519156 633875980 /nfs/dbraw/zinc/87/59/80/633875980.db2.gz SKXYBAPSKJFOOB-DCAQKATOSA-N 2 2 214.309 -0.011 20 0 BBADLP C[C@H]([NH2+][C@@H]1C[NH2+]CCOC1)[C@H]1CCOC1 ZINC000925519157 633877104 /nfs/dbraw/zinc/87/71/04/633877104.db2.gz SKXYBAPSKJFOOB-GARJFASQSA-N 2 2 214.309 -0.011 20 0 BBADLP C[C@H]([NH2+][C@@H]1C[NH2+]CCOC1)[C@@H]1CCOC1 ZINC000925519158 633876806 /nfs/dbraw/zinc/87/68/06/633876806.db2.gz SKXYBAPSKJFOOB-HBNTYKKESA-N 2 2 214.309 -0.011 20 0 BBADLP C[NH+](C)CCCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925520717 646312429 /nfs/dbraw/zinc/31/24/29/646312429.db2.gz MWQXOBDPCHVFNE-LLVKDONJSA-N 3 2 215.341 -0.094 20 0 BBADLP C[NH+](C)CCCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925520719 646312476 /nfs/dbraw/zinc/31/24/76/646312476.db2.gz MWQXOBDPCHVFNE-NSHDSACASA-N 3 2 215.341 -0.094 20 0 BBADLP COCCOCCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925522475 711696759 /nfs/dbraw/zinc/69/67/59/711696759.db2.gz ZVWWWZVONYQXHS-LLVKDONJSA-N 2 2 232.324 -0.383 20 0 BBADLP COCCOCCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925522477 711696941 /nfs/dbraw/zinc/69/69/41/711696941.db2.gz ZVWWWZVONYQXHS-NSHDSACASA-N 2 2 232.324 -0.383 20 0 BBADLP c1cnn(CCC[NH2+][C@@H]2C[NH2+]CCOC2)c1 ZINC000925533950 633929555 /nfs/dbraw/zinc/92/95/55/633929555.db2.gz RFGUQLGIQDWKQY-LLVKDONJSA-N 2 2 224.308 -0.149 20 0 BBADLP c1cnn(CCC[NH2+][C@H]2C[NH2+]CCOC2)c1 ZINC000925533951 633930206 /nfs/dbraw/zinc/93/02/06/633930206.db2.gz RFGUQLGIQDWKQY-NSHDSACASA-N 2 2 224.308 -0.149 20 0 BBADLP Cc1[nH+]ccn1CCN[C@@H]1C[NH2+]CCOC1 ZINC000925535580 646321952 /nfs/dbraw/zinc/32/19/52/646321952.db2.gz ZIMCSVIVXUOYBR-LLVKDONJSA-N 2 2 224.308 -0.230 20 0 BBADLP Cc1[nH+]ccn1CCN[C@H]1C[NH2+]CCOC1 ZINC000925535582 646322432 /nfs/dbraw/zinc/32/24/32/646322432.db2.gz ZIMCSVIVXUOYBR-NSHDSACASA-N 2 2 224.308 -0.230 20 0 BBADLP CC[C@H](CCO)C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925542361 646324649 /nfs/dbraw/zinc/32/46/49/646324649.db2.gz ZVMSCXCFOVFLPS-GHMZBOCLSA-N 2 2 216.325 -0.027 20 0 BBADLP CC[C@H](CCO)C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925542362 646325171 /nfs/dbraw/zinc/32/51/71/646325171.db2.gz ZVMSCXCFOVFLPS-MNOVXSKESA-N 2 2 216.325 -0.027 20 0 BBADLP CC[C@@H](CCO)C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925542363 646324363 /nfs/dbraw/zinc/32/43/63/646324363.db2.gz ZVMSCXCFOVFLPS-QWRGUYRKSA-N 2 2 216.325 -0.027 20 0 BBADLP CC[C@@H](CCO)C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925542364 646324194 /nfs/dbraw/zinc/32/41/94/646324194.db2.gz ZVMSCXCFOVFLPS-WDEREUQCSA-N 2 2 216.325 -0.027 20 0 BBADLP C([NH2+][C@@H]1C[NH2+]CCOC1)C1CCOCC1 ZINC000925547000 646327065 /nfs/dbraw/zinc/32/70/65/646327065.db2.gz MRMVGBJDQJTPEF-LLVKDONJSA-N 2 2 214.309 -0.009 20 0 BBADLP C([NH2+][C@H]1C[NH2+]CCOC1)C1CCOCC1 ZINC000925547001 646326406 /nfs/dbraw/zinc/32/64/06/646326406.db2.gz MRMVGBJDQJTPEF-NSHDSACASA-N 2 2 214.309 -0.009 20 0 BBADLP COCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925550762 646329597 /nfs/dbraw/zinc/32/95/97/646329597.db2.gz OGOPHIOKRZJEGY-NXEZZACHSA-N 2 2 202.298 -0.011 20 0 BBADLP COCC[C@H](C)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925550763 646328230 /nfs/dbraw/zinc/32/82/30/646328230.db2.gz OGOPHIOKRZJEGY-UWVGGRQHSA-N 2 2 202.298 -0.011 20 0 BBADLP COCC[C@H](C)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925550764 646328789 /nfs/dbraw/zinc/32/87/89/646328789.db2.gz OGOPHIOKRZJEGY-VHSXEESVSA-N 2 2 202.298 -0.011 20 0 BBADLP COCC[C@@H](C)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925550765 646329398 /nfs/dbraw/zinc/32/93/98/646329398.db2.gz OGOPHIOKRZJEGY-ZJUUUORDSA-N 2 2 202.298 -0.011 20 0 BBADLP C(C[NH2+][C@@H]1C[NH2+]CCOC1)CO[C@H]1CCOC1 ZINC000925553982 646330948 /nfs/dbraw/zinc/33/09/48/646330948.db2.gz XLKJZMJXYLIWOA-NEPJUHHUSA-N 2 2 244.335 -0.240 20 0 BBADLP C(C[NH2+][C@H]1C[NH2+]CCOC1)CO[C@@H]1CCOC1 ZINC000925553983 646331547 /nfs/dbraw/zinc/33/15/47/646331547.db2.gz XLKJZMJXYLIWOA-NWDGAFQWSA-N 2 2 244.335 -0.240 20 0 BBADLP C(C[NH2+][C@H]1C[NH2+]CCOC1)CO[C@H]1CCOC1 ZINC000925553984 646331834 /nfs/dbraw/zinc/33/18/34/646331834.db2.gz XLKJZMJXYLIWOA-RYUDHWBXSA-N 2 2 244.335 -0.240 20 0 BBADLP C(C[NH2+][C@@H]1C[NH2+]CCOC1)CO[C@@H]1CCOC1 ZINC000925553985 646330574 /nfs/dbraw/zinc/33/05/74/646330574.db2.gz XLKJZMJXYLIWOA-VXGBXAGGSA-N 2 2 244.335 -0.240 20 0 BBADLP COCCCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925559238 646325897 /nfs/dbraw/zinc/32/58/97/646325897.db2.gz SBGXXIQNHSGEEN-JTQLQIEISA-N 2 2 202.298 -0.009 20 0 BBADLP COCCCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925559240 646327360 /nfs/dbraw/zinc/32/73/60/646327360.db2.gz SBGXXIQNHSGEEN-SNVBAGLBSA-N 2 2 202.298 -0.009 20 0 BBADLP CO[C@H](C)CC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925564161 634053514 /nfs/dbraw/zinc/05/35/14/634053514.db2.gz HTHIPFJIHZBOGX-NXEZZACHSA-N 2 2 202.298 -0.011 20 0 BBADLP CO[C@@H](C)CC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925564162 634053163 /nfs/dbraw/zinc/05/31/63/634053163.db2.gz HTHIPFJIHZBOGX-UWVGGRQHSA-N 2 2 202.298 -0.011 20 0 BBADLP CO[C@@H](C)CC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925564164 634052051 /nfs/dbraw/zinc/05/20/51/634052051.db2.gz HTHIPFJIHZBOGX-VHSXEESVSA-N 2 2 202.298 -0.011 20 0 BBADLP CO[C@H](C)CC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925564166 634053449 /nfs/dbraw/zinc/05/34/49/634053449.db2.gz HTHIPFJIHZBOGX-ZJUUUORDSA-N 2 2 202.298 -0.011 20 0 BBADLP CN(C)C(=O)CCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925585602 646347024 /nfs/dbraw/zinc/34/70/24/646347024.db2.gz HPYAFYGIMKBYJU-JTQLQIEISA-N 2 2 229.324 -0.567 20 0 BBADLP CN(C)C(=O)CCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925585603 646345883 /nfs/dbraw/zinc/34/58/83/646345883.db2.gz HPYAFYGIMKBYJU-SNVBAGLBSA-N 2 2 229.324 -0.567 20 0 BBADLP CNC(=O)CCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925601038 646353644 /nfs/dbraw/zinc/35/36/44/646353644.db2.gz JMPIEOCYMKSIEW-SECBINFHSA-N 2 2 215.297 -0.909 20 0 BBADLP CNC(=O)CCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925601039 646353169 /nfs/dbraw/zinc/35/31/69/646353169.db2.gz JMPIEOCYMKSIEW-VIFPVBQESA-N 2 2 215.297 -0.909 20 0 BBADLP NC(=O)C1CCC([NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925603291 646355222 /nfs/dbraw/zinc/35/52/22/646355222.db2.gz LBUGPYAVOJUCNA-ILDUYXDCSA-N 2 2 241.335 -0.392 20 0 BBADLP NC(=O)C1CCC([NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925603292 646354723 /nfs/dbraw/zinc/35/47/23/646354723.db2.gz LBUGPYAVOJUCNA-VQXHTEKXSA-N 2 2 241.335 -0.392 20 0 BBADLP CC1(C)[NH2+]CC[C@H]1[NH2+]CCOCCO ZINC000925613298 646362002 /nfs/dbraw/zinc/36/20/02/646362002.db2.gz XSHSCESIECDIFP-SECBINFHSA-N 2 2 202.298 -0.275 20 0 BBADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCOCCO ZINC000925613299 646362876 /nfs/dbraw/zinc/36/28/76/646362876.db2.gz XSHSCESIECDIFP-VIFPVBQESA-N 2 2 202.298 -0.275 20 0 BBADLP OCCOCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925613594 646361919 /nfs/dbraw/zinc/36/19/19/646361919.db2.gz ZNCDCXOKABKNCX-JTQLQIEISA-N 2 2 214.309 -0.131 20 0 BBADLP OCCOCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925613595 646363017 /nfs/dbraw/zinc/36/30/17/646363017.db2.gz ZNCDCXOKABKNCX-SNVBAGLBSA-N 2 2 214.309 -0.131 20 0 BBADLP OCC[C@@H]([NH2+][C@@H]1C[NH2+]CCOC1)C1CC1 ZINC000925618393 646365330 /nfs/dbraw/zinc/36/53/30/646365330.db2.gz HNCBEUUVLSDLIP-GHMZBOCLSA-N 2 2 214.309 -0.275 20 0 BBADLP OCC[C@H]([NH2+][C@@H]1C[NH2+]CCOC1)C1CC1 ZINC000925618394 646364953 /nfs/dbraw/zinc/36/49/53/646364953.db2.gz HNCBEUUVLSDLIP-MNOVXSKESA-N 2 2 214.309 -0.275 20 0 BBADLP OCC[C@H]([NH2+][C@H]1C[NH2+]CCOC1)C1CC1 ZINC000925618395 646366070 /nfs/dbraw/zinc/36/60/70/646366070.db2.gz HNCBEUUVLSDLIP-QWRGUYRKSA-N 2 2 214.309 -0.275 20 0 BBADLP OCC[C@@H]([NH2+][C@H]1C[NH2+]CCOC1)C1CC1 ZINC000925618396 646365628 /nfs/dbraw/zinc/36/56/28/646365628.db2.gz HNCBEUUVLSDLIP-WDEREUQCSA-N 2 2 214.309 -0.275 20 0 BBADLP C[C@H](CCO)C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925621416 646367144 /nfs/dbraw/zinc/36/71/44/646367144.db2.gz DFYUYLNLNDIJCJ-NXEZZACHSA-N 2 2 202.298 -0.417 20 0 BBADLP C[C@@H](CCO)C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925621421 646368501 /nfs/dbraw/zinc/36/85/01/646368501.db2.gz DFYUYLNLNDIJCJ-UWVGGRQHSA-N 2 2 202.298 -0.417 20 0 BBADLP C[C@@H](CCO)C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925621424 646366992 /nfs/dbraw/zinc/36/69/92/646366992.db2.gz DFYUYLNLNDIJCJ-VHSXEESVSA-N 2 2 202.298 -0.417 20 0 BBADLP C[C@H](CCO)C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925621425 646367744 /nfs/dbraw/zinc/36/77/44/646367744.db2.gz DFYUYLNLNDIJCJ-ZJUUUORDSA-N 2 2 202.298 -0.417 20 0 BBADLP C(C[C@@H]1CCOC1)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925636540 646380628 /nfs/dbraw/zinc/38/06/28/646380628.db2.gz CMNZSTNXQBXMGK-GHMZBOCLSA-N 2 2 214.309 -0.009 20 0 BBADLP C(C[C@@H]1CCOC1)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925636541 646379270 /nfs/dbraw/zinc/37/92/70/646379270.db2.gz CMNZSTNXQBXMGK-MNOVXSKESA-N 2 2 214.309 -0.009 20 0 BBADLP C(C[C@H]1CCOC1)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925636542 646379905 /nfs/dbraw/zinc/37/99/05/646379905.db2.gz CMNZSTNXQBXMGK-QWRGUYRKSA-N 2 2 214.309 -0.009 20 0 BBADLP C(C[C@H]1CCOC1)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925636543 646381007 /nfs/dbraw/zinc/38/10/07/646381007.db2.gz CMNZSTNXQBXMGK-WDEREUQCSA-N 2 2 214.309 -0.009 20 0 BBADLP c1cn2c([nH+]1)C[C@H](N[C@@H]1C[NH2+]CCOC1)CC2 ZINC000925646341 634200323 /nfs/dbraw/zinc/20/03/23/634200323.db2.gz SRYVTCWQZOPEKK-GHMZBOCLSA-N 2 2 236.319 -0.224 20 0 BBADLP c1cn2c([nH+]1)C[C@H](N[C@H]1C[NH2+]CCOC1)CC2 ZINC000925646345 634200486 /nfs/dbraw/zinc/20/04/86/634200486.db2.gz SRYVTCWQZOPEKK-MNOVXSKESA-N 2 2 236.319 -0.224 20 0 BBADLP c1cn2c([nH+]1)C[C@@H](N[C@H]1C[NH2+]CCOC1)CC2 ZINC000925646346 634199859 /nfs/dbraw/zinc/19/98/59/634199859.db2.gz SRYVTCWQZOPEKK-QWRGUYRKSA-N 2 2 236.319 -0.224 20 0 BBADLP c1cn2c([nH+]1)C[C@@H](N[C@@H]1C[NH2+]CCOC1)CC2 ZINC000925646347 634201435 /nfs/dbraw/zinc/20/14/35/634201435.db2.gz SRYVTCWQZOPEKK-WDEREUQCSA-N 2 2 236.319 -0.224 20 0 BBADLP O[C@@H]1CC[C@H](C[NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC000925650375 646389666 /nfs/dbraw/zinc/38/96/66/646389666.db2.gz UEPMYOJTNBTNOE-GARJFASQSA-N 2 2 214.309 -0.275 20 0 BBADLP O[C@@H]1CC[C@@H](C[NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925650376 646389134 /nfs/dbraw/zinc/38/91/34/646389134.db2.gz UEPMYOJTNBTNOE-GMTAPVOTSA-N 2 2 214.309 -0.275 20 0 BBADLP O[C@@H]1CC[C@H](C[NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925650377 646389765 /nfs/dbraw/zinc/38/97/65/646389765.db2.gz UEPMYOJTNBTNOE-HBNTYKKESA-N 2 2 214.309 -0.275 20 0 BBADLP O[C@@H]1CC[C@@H](C[NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC000925650378 646389190 /nfs/dbraw/zinc/38/91/90/646389190.db2.gz UEPMYOJTNBTNOE-OUAUKWLOSA-N 2 2 214.309 -0.275 20 0 BBADLP C[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925651624 646391862 /nfs/dbraw/zinc/39/18/62/646391862.db2.gz HPCQSIGSWFNMOI-GMTAPVOTSA-N 2 2 214.309 -0.011 20 0 BBADLP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925651625 646392784 /nfs/dbraw/zinc/39/27/84/646392784.db2.gz HPCQSIGSWFNMOI-MXWKQRLJSA-N 2 2 214.309 -0.011 20 0 BBADLP C[C@@H]1COCC[C@H]1[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925651626 646392308 /nfs/dbraw/zinc/39/23/08/646392308.db2.gz HPCQSIGSWFNMOI-OUAUKWLOSA-N 2 2 214.309 -0.011 20 0 BBADLP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925651627 646391429 /nfs/dbraw/zinc/39/14/29/646391429.db2.gz HPCQSIGSWFNMOI-VWYCJHECSA-N 2 2 214.309 -0.011 20 0 BBADLP OC1CC(CC[NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925652457 646391677 /nfs/dbraw/zinc/39/16/77/646391677.db2.gz QDZDFFPYKMWQPD-HSOILSAZSA-N 2 2 214.309 -0.275 20 0 BBADLP OC1CC(CC[NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC000925652458 646392039 /nfs/dbraw/zinc/39/20/39/646392039.db2.gz QDZDFFPYKMWQPD-YVNMAJEFSA-N 2 2 214.309 -0.275 20 0 BBADLP OCCCCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925655538 646392119 /nfs/dbraw/zinc/39/21/19/646392119.db2.gz VTDXWNKZCLQEJR-JTQLQIEISA-N 2 2 202.298 -0.273 20 0 BBADLP OCCCCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925655539 646391533 /nfs/dbraw/zinc/39/15/33/646391533.db2.gz VTDXWNKZCLQEJR-SNVBAGLBSA-N 2 2 202.298 -0.273 20 0 BBADLP COC[C@H](O)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925665943 646398737 /nfs/dbraw/zinc/39/87/37/646398737.db2.gz IKVODYIBPILRQU-BDAKNGLRSA-N 2 2 202.298 -0.276 20 0 BBADLP COC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925665944 646399060 /nfs/dbraw/zinc/39/90/60/646399060.db2.gz IKVODYIBPILRQU-DTWKUNHWSA-N 2 2 202.298 -0.276 20 0 BBADLP COC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925665945 646398097 /nfs/dbraw/zinc/39/80/97/646398097.db2.gz IKVODYIBPILRQU-IUCAKERBSA-N 2 2 202.298 -0.276 20 0 BBADLP COC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925665946 646397566 /nfs/dbraw/zinc/39/75/66/646397566.db2.gz IKVODYIBPILRQU-RKDXNWHRSA-N 2 2 202.298 -0.276 20 0 BBADLP Cn1c[nH+]cc1CN[C@@H]1C[NH2+]CCOC1 ZINC000925668835 646400852 /nfs/dbraw/zinc/40/08/52/646400852.db2.gz KOOAQLPTDNWTGL-SECBINFHSA-N 2 2 210.281 -0.502 20 0 BBADLP Cn1c[nH+]cc1CN[C@H]1C[NH2+]CCOC1 ZINC000925668836 646401398 /nfs/dbraw/zinc/40/13/98/646401398.db2.gz KOOAQLPTDNWTGL-VIFPVBQESA-N 2 2 210.281 -0.502 20 0 BBADLP C[C@H](CCCO)C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925678334 646406470 /nfs/dbraw/zinc/40/64/70/646406470.db2.gz CNHUKNNASNHFEI-GHMZBOCLSA-N 2 2 216.325 -0.027 20 0 BBADLP C[C@H](CCCO)C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925678335 646407394 /nfs/dbraw/zinc/40/73/94/646407394.db2.gz CNHUKNNASNHFEI-MNOVXSKESA-N 2 2 216.325 -0.027 20 0 BBADLP C[C@@H](CCCO)C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925678336 646407727 /nfs/dbraw/zinc/40/77/27/646407727.db2.gz CNHUKNNASNHFEI-QWRGUYRKSA-N 2 2 216.325 -0.027 20 0 BBADLP C[C@@H](CCCO)C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925678337 646406865 /nfs/dbraw/zinc/40/68/65/646406865.db2.gz CNHUKNNASNHFEI-WDEREUQCSA-N 2 2 216.325 -0.027 20 0 BBADLP CO[C@@H]1COCC[C@@H]1C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925680901 634278786 /nfs/dbraw/zinc/27/87/86/634278786.db2.gz LADOEIILUSHDFT-GRYCIOLGSA-N 2 2 244.335 -0.384 20 0 BBADLP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925680902 634278260 /nfs/dbraw/zinc/27/82/60/634278260.db2.gz LADOEIILUSHDFT-IJLUTSLNSA-N 2 2 244.335 -0.384 20 0 BBADLP CO[C@@H]1COCC[C@H]1C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925680903 634278997 /nfs/dbraw/zinc/27/89/97/634278997.db2.gz LADOEIILUSHDFT-QJPTWQEYSA-N 2 2 244.335 -0.384 20 0 BBADLP CO[C@@H]1COCC[C@H]1C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925680904 634279221 /nfs/dbraw/zinc/27/92/21/634279221.db2.gz LADOEIILUSHDFT-SDDRHHMPSA-N 2 2 244.335 -0.384 20 0 BBADLP C[C@@H](CCO)CC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925681467 646409798 /nfs/dbraw/zinc/40/97/98/646409798.db2.gz VNTGENOOJIGQDJ-GHMZBOCLSA-N 2 2 216.325 -0.027 20 0 BBADLP C[C@@H](CCO)CC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925681468 646408688 /nfs/dbraw/zinc/40/86/88/646408688.db2.gz VNTGENOOJIGQDJ-MNOVXSKESA-N 2 2 216.325 -0.027 20 0 BBADLP C[C@H](CCO)CC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925681470 646409268 /nfs/dbraw/zinc/40/92/68/646409268.db2.gz VNTGENOOJIGQDJ-QWRGUYRKSA-N 2 2 216.325 -0.027 20 0 BBADLP C[C@H](CCO)CC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925681471 646408568 /nfs/dbraw/zinc/40/85/68/646408568.db2.gz VNTGENOOJIGQDJ-WDEREUQCSA-N 2 2 216.325 -0.027 20 0 BBADLP CO[C@@H]1COC[C@@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925684704 634294712 /nfs/dbraw/zinc/29/47/12/634294712.db2.gz CISDPCSRQKJKAM-BMLQCNMVSA-N 2 2 238.331 -0.014 20 0 BBADLP CO[C@@H]1COC[C@@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925684705 634295581 /nfs/dbraw/zinc/29/55/81/634295581.db2.gz CISDPCSRQKJKAM-KVYJJMQOSA-N 2 2 238.331 -0.014 20 0 BBADLP CO[C@@H]1COC[C@@H]1[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925684706 634295238 /nfs/dbraw/zinc/29/52/38/634295238.db2.gz CISDPCSRQKJKAM-UXFOBHDTSA-N 2 2 238.331 -0.014 20 0 BBADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000925687781 634304144 /nfs/dbraw/zinc/30/41/44/634304144.db2.gz BBVWPVNMBVLCLD-NEPJUHHUSA-N 3 2 226.368 -0.378 20 0 BBADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000925687782 634304487 /nfs/dbraw/zinc/30/44/87/634304487.db2.gz BBVWPVNMBVLCLD-NWDGAFQWSA-N 3 2 226.368 -0.378 20 0 BBADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000925687783 634304040 /nfs/dbraw/zinc/30/40/40/634304040.db2.gz BBVWPVNMBVLCLD-RYUDHWBXSA-N 3 2 226.368 -0.378 20 0 BBADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000925687784 634303773 /nfs/dbraw/zinc/30/37/73/634303773.db2.gz BBVWPVNMBVLCLD-VXGBXAGGSA-N 3 2 226.368 -0.378 20 0 BBADLP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ncc[nH]1 ZINC000925688710 711709521 /nfs/dbraw/zinc/70/95/21/711709521.db2.gz DCGGMKPEZARAMN-SECBINFHSA-N 2 2 237.307 -0.508 20 0 BBADLP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ncc[nH]1 ZINC000925688711 711709631 /nfs/dbraw/zinc/70/96/31/711709631.db2.gz DCGGMKPEZARAMN-VIFPVBQESA-N 2 2 237.307 -0.508 20 0 BBADLP C([NH2+][C@@H]1C[NH2+]CCOC1)C1CC[NH2+]CC1 ZINC000925690371 646411779 /nfs/dbraw/zinc/41/17/79/646411779.db2.gz JFVKDSCBGQLUBX-LLVKDONJSA-N 3 2 213.325 -0.436 20 0 BBADLP C([NH2+][C@H]1C[NH2+]CCOC1)C1CC[NH2+]CC1 ZINC000925690372 646411276 /nfs/dbraw/zinc/41/12/76/646411276.db2.gz JFVKDSCBGQLUBX-NSHDSACASA-N 3 2 213.325 -0.436 20 0 BBADLP CC1(C)[NH2+]CC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000925691948 634323388 /nfs/dbraw/zinc/32/33/88/634323388.db2.gz NTDQBUICZGRCDC-LLVKDONJSA-N 3 2 226.368 -0.378 20 0 BBADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000925691951 634323577 /nfs/dbraw/zinc/32/35/77/634323577.db2.gz NTDQBUICZGRCDC-NSHDSACASA-N 3 2 226.368 -0.378 20 0 BBADLP NC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925694483 646419437 /nfs/dbraw/zinc/41/94/37/646419437.db2.gz TWDJKAVTUAFCOT-KXUCPTDWSA-N 2 2 227.308 -0.782 20 0 BBADLP NC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC000925694484 646419246 /nfs/dbraw/zinc/41/92/46/646419246.db2.gz TWDJKAVTUAFCOT-UTLUCORTSA-N 2 2 227.308 -0.782 20 0 BBADLP [NH3+]C1CCC([NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925695240 634346188 /nfs/dbraw/zinc/34/61/88/634346188.db2.gz UUMWHWGGUKQILB-ILDUYXDCSA-N 3 2 213.325 -0.166 20 0 BBADLP [NH3+]C1CCC([NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925695242 634345649 /nfs/dbraw/zinc/34/56/49/634345649.db2.gz UUMWHWGGUKQILB-VQXHTEKXSA-N 3 2 213.325 -0.166 20 0 BBADLP C(C[C@H]1CC[NH2+]C1)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925695321 646420369 /nfs/dbraw/zinc/42/03/69/646420369.db2.gz VSNMTEUABLVWIZ-GHMZBOCLSA-N 3 2 213.325 -0.436 20 0 BBADLP C(C[C@H]1CC[NH2+]C1)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925695323 646419461 /nfs/dbraw/zinc/41/94/61/646419461.db2.gz VSNMTEUABLVWIZ-MNOVXSKESA-N 3 2 213.325 -0.436 20 0 BBADLP C(C[C@@H]1CC[NH2+]C1)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925695326 646420712 /nfs/dbraw/zinc/42/07/12/646420712.db2.gz VSNMTEUABLVWIZ-QWRGUYRKSA-N 3 2 213.325 -0.436 20 0 BBADLP C(C[C@@H]1CC[NH2+]C1)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925695327 646403078 /nfs/dbraw/zinc/40/30/78/646403078.db2.gz VSNMTEUABLVWIZ-WDEREUQCSA-N 3 2 213.325 -0.436 20 0 BBADLP CC1(C[NH2+][C@@H]2C[NH2+]CCOC2)CC[NH2+]CC1 ZINC000925698106 646423682 /nfs/dbraw/zinc/42/36/82/646423682.db2.gz JBGPGXJMDHMXKX-LLVKDONJSA-N 3 2 227.352 -0.046 20 0 BBADLP CC1(C[NH2+][C@H]2C[NH2+]CCOC2)CC[NH2+]CC1 ZINC000925698107 646422968 /nfs/dbraw/zinc/42/29/68/646422968.db2.gz JBGPGXJMDHMXKX-NSHDSACASA-N 3 2 227.352 -0.046 20 0 BBADLP C(CC1CC[NH2+]CC1)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925701766 646424625 /nfs/dbraw/zinc/42/46/25/646424625.db2.gz FCQCBVVOBNXPEJ-GFCCVEGCSA-N 3 2 227.352 -0.046 20 0 BBADLP C(CC1CC[NH2+]CC1)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925701767 646425511 /nfs/dbraw/zinc/42/55/11/646425511.db2.gz FCQCBVVOBNXPEJ-LBPRGKRZSA-N 3 2 227.352 -0.046 20 0 BBADLP [NH3+]CC1(CC[NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925702088 646427409 /nfs/dbraw/zinc/42/74/09/646427409.db2.gz KUBQICOOGNQHAR-JTQLQIEISA-N 3 2 213.325 -0.307 20 0 BBADLP [NH3+]CC1(CC[NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925702089 646426458 /nfs/dbraw/zinc/42/64/58/646426458.db2.gz KUBQICOOGNQHAR-SNVBAGLBSA-N 3 2 213.325 -0.307 20 0 BBADLP C1[NH2+]C[C@H]2C[C@H]([NH2+][C@@H]3C[NH2+]CCOC3)CC[C@H]12 ZINC000925704311 646428394 /nfs/dbraw/zinc/42/83/94/646428394.db2.gz GCGYIJXTHVMFEV-FDYHWXHSSA-N 2 2 239.363 -0.048 20 0 BBADLP C1[NH2+]C[C@H]2C[C@H]([NH2+][C@@H]3C[NH2+]CCOC3)CC[C@@H]12 ZINC000925704313 646429746 /nfs/dbraw/zinc/42/97/46/646429746.db2.gz GCGYIJXTHVMFEV-UMSGYPCISA-N 2 2 239.363 -0.048 20 0 BBADLP C1[NH2+]C[C@@H]2C[C@H]([NH2+][C@@H]3C[NH2+]CCOC3)CC[C@@H]12 ZINC000925704314 646429528 /nfs/dbraw/zinc/42/95/28/646429528.db2.gz GCGYIJXTHVMFEV-WUHRBBMRSA-N 2 2 239.363 -0.048 20 0 BBADLP C1[NH2+]C[C@H]2CC[C@@H]([NH2+][C@@H]3C[NH2+]CCOC3)C[C@@H]12 ZINC000925704316 646428734 /nfs/dbraw/zinc/42/87/34/646428734.db2.gz GCGYIJXTHVMFEV-YVECIDJPSA-N 2 2 239.363 -0.048 20 0 BBADLP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC000925704663 646428468 /nfs/dbraw/zinc/42/84/68/646428468.db2.gz ZXIFEBNQHFXBBF-SDDRHHMPSA-N 3 2 227.352 -0.095 20 0 BBADLP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925704664 634384102 /nfs/dbraw/zinc/38/41/02/634384102.db2.gz ZXIFEBNQHFXBBF-UTUOFQBUSA-N 3 2 227.352 -0.095 20 0 BBADLP CO[C@@H]1COC[C@H]1[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925706334 646430731 /nfs/dbraw/zinc/43/07/31/646430731.db2.gz CISDPCSRQKJKAM-HNLCEGNFSA-N 2 2 238.331 -0.014 20 0 BBADLP CO[C@@H]1COC[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925706340 646430400 /nfs/dbraw/zinc/43/04/00/646430400.db2.gz CISDPCSRQKJKAM-JXMPTKIVSA-N 2 2 238.331 -0.014 20 0 BBADLP CO[C@@H]1COC[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925706342 646431358 /nfs/dbraw/zinc/43/13/58/646431358.db2.gz CISDPCSRQKJKAM-VRABFAILSA-N 2 2 238.331 -0.014 20 0 BBADLP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925706658 646430567 /nfs/dbraw/zinc/43/05/67/646430567.db2.gz KBCOQDYFCRPHBS-GMTAPVOTSA-N 3 2 213.325 -0.308 20 0 BBADLP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC000925706659 646431524 /nfs/dbraw/zinc/43/15/24/646431524.db2.gz KBCOQDYFCRPHBS-MXWKQRLJSA-N 3 2 213.325 -0.308 20 0 BBADLP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925706660 646430619 /nfs/dbraw/zinc/43/06/19/646430619.db2.gz KBCOQDYFCRPHBS-OUAUKWLOSA-N 3 2 213.325 -0.308 20 0 BBADLP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC000925706661 646431572 /nfs/dbraw/zinc/43/15/72/646431572.db2.gz KBCOQDYFCRPHBS-VWYCJHECSA-N 3 2 213.325 -0.308 20 0 BBADLP C1=C(CC[NH2+][C@@H]2C[NH2+]CCOC2)CC[NH2+]C1 ZINC000925710032 634409400 /nfs/dbraw/zinc/40/94/00/634409400.db2.gz VTGLMLAPMHCLRB-GFCCVEGCSA-N 3 2 225.336 -0.126 20 0 BBADLP C1=C(CC[NH2+][C@H]2C[NH2+]CCOC2)CC[NH2+]C1 ZINC000925710034 634408623 /nfs/dbraw/zinc/40/86/23/634408623.db2.gz VTGLMLAPMHCLRB-LBPRGKRZSA-N 3 2 225.336 -0.126 20 0 BBADLP C[C@H](CCC[NH3+])[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925712913 646438759 /nfs/dbraw/zinc/43/87/59/646438759.db2.gz VXZRIRQVSWBMQH-NXEZZACHSA-N 3 2 201.314 -0.308 20 0 BBADLP C[C@@H](CCC[NH3+])[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925712915 646439574 /nfs/dbraw/zinc/43/95/74/646439574.db2.gz VXZRIRQVSWBMQH-UWVGGRQHSA-N 3 2 201.314 -0.308 20 0 BBADLP C[C@@H](CCC[NH3+])[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925712916 646439257 /nfs/dbraw/zinc/43/92/57/646439257.db2.gz VXZRIRQVSWBMQH-VHSXEESVSA-N 3 2 201.314 -0.308 20 0 BBADLP C[C@H](CCC[NH3+])[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925712918 646439547 /nfs/dbraw/zinc/43/95/47/646439547.db2.gz VXZRIRQVSWBMQH-ZJUUUORDSA-N 3 2 201.314 -0.308 20 0 BBADLP COC[C@@H](CC[NH2+][C@@H]1C[NH2+]CCOC1)OC ZINC000925713669 646439198 /nfs/dbraw/zinc/43/91/98/646439198.db2.gz MLWQVHLNXLIEBN-GHMZBOCLSA-N 2 2 232.324 -0.384 20 0 BBADLP COC[C@H](CC[NH2+][C@@H]1C[NH2+]CCOC1)OC ZINC000925713670 646439104 /nfs/dbraw/zinc/43/91/04/646439104.db2.gz MLWQVHLNXLIEBN-MNOVXSKESA-N 2 2 232.324 -0.384 20 0 BBADLP COC[C@H](CC[NH2+][C@H]1C[NH2+]CCOC1)OC ZINC000925713671 646438502 /nfs/dbraw/zinc/43/85/02/646438502.db2.gz MLWQVHLNXLIEBN-QWRGUYRKSA-N 2 2 232.324 -0.384 20 0 BBADLP COC[C@@H](CC[NH2+][C@H]1C[NH2+]CCOC1)OC ZINC000925713672 646438942 /nfs/dbraw/zinc/43/89/42/646438942.db2.gz MLWQVHLNXLIEBN-WDEREUQCSA-N 2 2 232.324 -0.384 20 0 BBADLP C[NH2+]CCOCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925718979 646444601 /nfs/dbraw/zinc/44/46/01/646444601.db2.gz LKHRALGLFLIOPP-GHMZBOCLSA-N 3 2 215.341 -0.048 20 0 BBADLP C[NH2+]CCOCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925718980 646444666 /nfs/dbraw/zinc/44/46/66/646444666.db2.gz LKHRALGLFLIOPP-MNOVXSKESA-N 3 2 215.341 -0.048 20 0 BBADLP C[NH2+]CCOCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925718981 646444405 /nfs/dbraw/zinc/44/44/05/646444405.db2.gz LKHRALGLFLIOPP-QWRGUYRKSA-N 3 2 215.341 -0.048 20 0 BBADLP C[NH2+]CCOCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925718982 646444004 /nfs/dbraw/zinc/44/40/04/646444004.db2.gz LKHRALGLFLIOPP-WDEREUQCSA-N 3 2 215.341 -0.048 20 0 BBADLP C[NH2+]CCOCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925719212 711715293 /nfs/dbraw/zinc/71/52/93/711715293.db2.gz MGICSJROJFWSJI-JTQLQIEISA-N 3 2 215.341 -0.048 20 0 BBADLP C[NH2+]CCOCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925719213 711715252 /nfs/dbraw/zinc/71/52/52/711715252.db2.gz MGICSJROJFWSJI-SNVBAGLBSA-N 3 2 215.341 -0.048 20 0 BBADLP COCC1CC([NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC000925727801 646451116 /nfs/dbraw/zinc/45/11/16/646451116.db2.gz IKPAHOCJVWKSLF-ILDUYXDCSA-N 2 2 214.309 -0.011 20 0 BBADLP COCC1CC([NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925727802 646451703 /nfs/dbraw/zinc/45/17/03/646451703.db2.gz IKPAHOCJVWKSLF-VQXHTEKXSA-N 2 2 214.309 -0.011 20 0 BBADLP O[C@H]1C[C@H](C[NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC000925728733 646453767 /nfs/dbraw/zinc/45/37/67/646453767.db2.gz HFRNMMOGQSAACU-GUBZILKMSA-N 2 2 200.282 -0.665 20 0 BBADLP O[C@H]1C[C@H](C[NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925728734 646453856 /nfs/dbraw/zinc/45/38/56/646453856.db2.gz HFRNMMOGQSAACU-OPRDCNLKSA-N 2 2 200.282 -0.665 20 0 BBADLP O=C1OCC[C@H]1CCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925729551 646454260 /nfs/dbraw/zinc/45/42/60/646454260.db2.gz KMAJNMLSURKKSG-GHMZBOCLSA-N 2 2 242.319 -0.092 20 0 BBADLP O=C1OCC[C@H]1CCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925729552 646454754 /nfs/dbraw/zinc/45/47/54/646454754.db2.gz KMAJNMLSURKKSG-MNOVXSKESA-N 2 2 242.319 -0.092 20 0 BBADLP O=C1OCC[C@@H]1CCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925729553 646453676 /nfs/dbraw/zinc/45/36/76/646453676.db2.gz KMAJNMLSURKKSG-QWRGUYRKSA-N 2 2 242.319 -0.092 20 0 BBADLP O=C1OCC[C@@H]1CCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925729554 646453883 /nfs/dbraw/zinc/45/38/83/646453883.db2.gz KMAJNMLSURKKSG-WDEREUQCSA-N 2 2 242.319 -0.092 20 0 BBADLP C[C@H]([NH2+][C@@H]1C[NH2+]CCOC1)C1CC[NH2+]CC1 ZINC000925729749 646454028 /nfs/dbraw/zinc/45/40/28/646454028.db2.gz RNUXQRCDVLAVSH-CMPLNLGQSA-N 3 2 227.352 -0.048 20 0 BBADLP C[C@H]([NH2+][C@H]1C[NH2+]CCOC1)C1CC[NH2+]CC1 ZINC000925729751 646454614 /nfs/dbraw/zinc/45/46/14/646454614.db2.gz RNUXQRCDVLAVSH-JQWIXIFHSA-N 3 2 227.352 -0.048 20 0 BBADLP C[C@@H]([NH2+][C@H]1C[NH2+]CCOC1)C1CC[NH2+]CC1 ZINC000925729752 646454177 /nfs/dbraw/zinc/45/41/77/646454177.db2.gz RNUXQRCDVLAVSH-PWSUYJOCSA-N 3 2 227.352 -0.048 20 0 BBADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CCOC1)C1CC[NH2+]CC1 ZINC000925729754 646453236 /nfs/dbraw/zinc/45/32/36/646453236.db2.gz RNUXQRCDVLAVSH-ZYHUDNBSSA-N 3 2 227.352 -0.048 20 0 BBADLP CO[C@H]1C[C@H](C[NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC000925736346 646460419 /nfs/dbraw/zinc/46/04/19/646460419.db2.gz MIDBXVQZOJCWFP-DCAQKATOSA-N 2 2 214.309 -0.011 20 0 BBADLP CO[C@H]1C[C@H](C[NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925736348 646459993 /nfs/dbraw/zinc/45/99/93/646459993.db2.gz MIDBXVQZOJCWFP-GMTAPVOTSA-N 2 2 214.309 -0.011 20 0 BBADLP OC[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CC[NH2+]C1 ZINC000925767884 635186290 /nfs/dbraw/zinc/18/62/90/635186290.db2.gz QXDDVOOUALXSTQ-DCAQKATOSA-N 2 2 214.309 -0.132 20 0 BBADLP OC[C@H](C[C@H]1CCCO1)[NH2+][C@H]1CC[NH2+]C1 ZINC000925767886 635184900 /nfs/dbraw/zinc/18/49/00/635184900.db2.gz QXDDVOOUALXSTQ-GARJFASQSA-N 2 2 214.309 -0.132 20 0 BBADLP OC[C@H](C[C@H]1CCCO1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000925767887 635185807 /nfs/dbraw/zinc/18/58/07/635185807.db2.gz QXDDVOOUALXSTQ-OUAUKWLOSA-N 2 2 214.309 -0.132 20 0 BBADLP OC[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000925767888 635185341 /nfs/dbraw/zinc/18/53/41/635185341.db2.gz QXDDVOOUALXSTQ-VWYCJHECSA-N 2 2 214.309 -0.132 20 0 BBADLP CC1(C)[NH2+]CC[C@H]1[NH2+]CCN1CCNC1=O ZINC000925776717 646474943 /nfs/dbraw/zinc/47/49/43/646474943.db2.gz IBJFHPRJZGOIQC-SECBINFHSA-N 2 2 226.324 -0.258 20 0 BBADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCN1CCNC1=O ZINC000925776719 646475175 /nfs/dbraw/zinc/47/51/75/646475175.db2.gz IBJFHPRJZGOIQC-VIFPVBQESA-N 2 2 226.324 -0.258 20 0 BBADLP O=C1NCCN1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925776792 635257793 /nfs/dbraw/zinc/25/77/93/635257793.db2.gz JKMZSGDOCNQKRN-JTQLQIEISA-N 2 2 238.335 -0.114 20 0 BBADLP O=C1NCCN1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925776793 635258744 /nfs/dbraw/zinc/25/87/44/635258744.db2.gz JKMZSGDOCNQKRN-SNVBAGLBSA-N 2 2 238.335 -0.114 20 0 BBADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCN1CCNC1=O ZINC000925777391 646475166 /nfs/dbraw/zinc/47/51/66/646475166.db2.gz NTEZHCLQUGWSFR-NXEZZACHSA-N 2 2 226.324 -0.401 20 0 BBADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCN1CCNC1=O ZINC000925777392 646474648 /nfs/dbraw/zinc/47/46/48/646474648.db2.gz NTEZHCLQUGWSFR-UWVGGRQHSA-N 2 2 226.324 -0.401 20 0 BBADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCN1CCNC1=O ZINC000925777393 646476031 /nfs/dbraw/zinc/47/60/31/646476031.db2.gz NTEZHCLQUGWSFR-VHSXEESVSA-N 2 2 226.324 -0.401 20 0 BBADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCN1CCNC1=O ZINC000925777394 646475524 /nfs/dbraw/zinc/47/55/24/646475524.db2.gz NTEZHCLQUGWSFR-ZJUUUORDSA-N 2 2 226.324 -0.401 20 0 BBADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCN1CCNC1=O ZINC000925778331 646475201 /nfs/dbraw/zinc/47/52/01/646475201.db2.gz UEBDPGUDHJXVFK-NXEZZACHSA-N 2 2 226.324 -0.258 20 0 BBADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCN1CCNC1=O ZINC000925778332 646474570 /nfs/dbraw/zinc/47/45/70/646474570.db2.gz UEBDPGUDHJXVFK-UWVGGRQHSA-N 2 2 226.324 -0.258 20 0 BBADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCN1CCNC1=O ZINC000925778333 646475963 /nfs/dbraw/zinc/47/59/63/646475963.db2.gz UEBDPGUDHJXVFK-VHSXEESVSA-N 2 2 226.324 -0.258 20 0 BBADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCN1CCNC1=O ZINC000925778334 646475543 /nfs/dbraw/zinc/47/55/43/646475543.db2.gz UEBDPGUDHJXVFK-ZJUUUORDSA-N 2 2 226.324 -0.258 20 0 BBADLP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925793491 646485027 /nfs/dbraw/zinc/48/50/27/646485027.db2.gz IRIVXRJBZKMGGT-IJLUTSLNSA-N 3 2 227.352 -0.190 20 0 BBADLP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925793493 646485382 /nfs/dbraw/zinc/48/53/82/646485382.db2.gz IRIVXRJBZKMGGT-UTUOFQBUSA-N 3 2 227.352 -0.190 20 0 BBADLP [NH3+]C1CC[NH+](CCN[C@@H]2CC[NH2+]C2)CC1 ZINC000925816846 635387488 /nfs/dbraw/zinc/38/74/88/635387488.db2.gz KBNXMFLEYLDWHD-LLVKDONJSA-N 3 2 212.341 -0.639 20 0 BBADLP [NH3+]C1CC[NH+](CCN[C@H]2CC[NH2+]C2)CC1 ZINC000925816847 635386474 /nfs/dbraw/zinc/38/64/74/635386474.db2.gz KBNXMFLEYLDWHD-NSHDSACASA-N 3 2 212.341 -0.639 20 0 BBADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925818022 646493203 /nfs/dbraw/zinc/49/32/03/646493203.db2.gz YUAXAQJOZZINSX-AAEUAGOBSA-N 3 2 240.395 -0.003 20 0 BBADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925818024 646493810 /nfs/dbraw/zinc/49/38/10/646493810.db2.gz YUAXAQJOZZINSX-DGCLKSJQSA-N 3 2 240.395 -0.003 20 0 BBADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925818027 646494158 /nfs/dbraw/zinc/49/41/58/646494158.db2.gz YUAXAQJOZZINSX-WCQYABFASA-N 3 2 240.395 -0.003 20 0 BBADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925818030 646493972 /nfs/dbraw/zinc/49/39/72/646493972.db2.gz YUAXAQJOZZINSX-YPMHNXCESA-N 3 2 240.395 -0.003 20 0 BBADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CNOC1 ZINC000925859961 646513706 /nfs/dbraw/zinc/51/37/06/646513706.db2.gz LXKRVHZKJILQOS-IVZWLZJFSA-N 2 2 215.297 -0.754 20 0 BBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CNOC1 ZINC000925859962 646513294 /nfs/dbraw/zinc/51/32/94/646513294.db2.gz LXKRVHZKJILQOS-KXUCPTDWSA-N 2 2 215.297 -0.754 20 0 BBADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CNOC1 ZINC000925859963 646512197 /nfs/dbraw/zinc/51/21/97/646512197.db2.gz LXKRVHZKJILQOS-LPEHRKFASA-N 2 2 215.297 -0.754 20 0 BBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CNOC1 ZINC000925859964 646512536 /nfs/dbraw/zinc/51/25/36/646512536.db2.gz LXKRVHZKJILQOS-OPRDCNLKSA-N 2 2 215.297 -0.754 20 0 BBADLP C1C[C@H]([NH2+][C@@H]2CNOC2)[C@@H]([C@H]2COCC[NH2+]2)C1 ZINC000925865856 646519037 /nfs/dbraw/zinc/51/90/37/646519037.db2.gz SHLCNKKNDDSPCF-NOOOWODRSA-N 2 2 241.335 -0.364 20 0 BBADLP C1C[C@H]([NH2+][C@@H]2CNOC2)[C@@H]([C@@H]2COCC[NH2+]2)C1 ZINC000925865859 646517964 /nfs/dbraw/zinc/51/79/64/646517964.db2.gz SHLCNKKNDDSPCF-RHYQMDGZSA-N 2 2 241.335 -0.364 20 0 BBADLP C1C[C@@H]([C@H]2COCC[NH2+]2)[C@@H]([NH2+][C@@H]2CNOC2)C1 ZINC000925865861 646517878 /nfs/dbraw/zinc/51/78/78/646517878.db2.gz SHLCNKKNDDSPCF-WISYIIOYSA-N 2 2 241.335 -0.364 20 0 BBADLP C1C[C@@H]([C@@H]2COCC[NH2+]2)[C@@H]([NH2+][C@@H]2CNOC2)C1 ZINC000925865864 646519104 /nfs/dbraw/zinc/51/91/04/646519104.db2.gz SHLCNKKNDDSPCF-WYUUTHIRSA-N 2 2 241.335 -0.364 20 0 BBADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CNOC1 ZINC000925866509 635569705 /nfs/dbraw/zinc/56/97/05/635569705.db2.gz LXKRVHZKJILQOS-AEJSXWLSSA-N 2 2 215.297 -0.754 20 0 BBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CNOC1 ZINC000925866511 635567802 /nfs/dbraw/zinc/56/78/02/635567802.db2.gz LXKRVHZKJILQOS-BBBLOLIVSA-N 2 2 215.297 -0.754 20 0 BBADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CNOC1 ZINC000925866514 635570203 /nfs/dbraw/zinc/57/02/03/635570203.db2.gz LXKRVHZKJILQOS-GUBZILKMSA-N 2 2 215.297 -0.754 20 0 BBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CNOC1 ZINC000925866517 635569151 /nfs/dbraw/zinc/56/91/51/635569151.db2.gz LXKRVHZKJILQOS-UTLUCORTSA-N 2 2 215.297 -0.754 20 0 BBADLP C1C[C@H]([NH2+][C@H]2CNOC2)[C@@H]([C@@H]2COCC[NH2+]2)C1 ZINC000925873726 646523709 /nfs/dbraw/zinc/52/37/09/646523709.db2.gz SHLCNKKNDDSPCF-BJDJZHNGSA-N 2 2 241.335 -0.364 20 0 BBADLP C1C[C@H]([NH2+][C@H]2CNOC2)[C@@H]([C@H]2COCC[NH2+]2)C1 ZINC000925873728 646523801 /nfs/dbraw/zinc/52/38/01/646523801.db2.gz SHLCNKKNDDSPCF-FIQHERPVSA-N 2 2 241.335 -0.364 20 0 BBADLP C1C[C@@H]([C@@H]2COCC[NH2+]2)[C@@H]([NH2+][C@H]2CNOC2)C1 ZINC000925873729 635593687 /nfs/dbraw/zinc/59/36/87/635593687.db2.gz SHLCNKKNDDSPCF-USZNOCQGSA-N 2 2 241.335 -0.364 20 0 BBADLP C1C[C@@H]([C@H]2COCC[NH2+]2)[C@@H]([NH2+][C@H]2CNOC2)C1 ZINC000925873731 635592905 /nfs/dbraw/zinc/59/29/05/635592905.db2.gz SHLCNKKNDDSPCF-WHOHXGKFSA-N 2 2 241.335 -0.364 20 0 BBADLP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC000925881157 646531189 /nfs/dbraw/zinc/53/11/89/646531189.db2.gz YHHSBUVNDKFNPK-AXFHLTTASA-N 3 2 213.325 -0.308 20 0 BBADLP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925881158 646529740 /nfs/dbraw/zinc/52/97/40/646529740.db2.gz YHHSBUVNDKFNPK-HBNTYKKESA-N 3 2 213.325 -0.308 20 0 BBADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CN3C[C@@H]2CCC3)C1 ZINC000926171715 646589197 /nfs/dbraw/zinc/58/91/97/646589197.db2.gz AJNSPHGVZOQZBZ-AVGNSLFASA-N 2 2 239.363 -0.263 20 0 BBADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CN3C[C@@H]2CCC3)C1 ZINC000926171715 646589195 /nfs/dbraw/zinc/58/91/95/646589195.db2.gz AJNSPHGVZOQZBZ-AVGNSLFASA-N 2 2 239.363 -0.263 20 0 BBADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CN3C[C@@H]2CCC3)C1 ZINC000926171726 646588294 /nfs/dbraw/zinc/58/82/94/646588294.db2.gz AJNSPHGVZOQZBZ-RWMBFGLXSA-N 2 2 239.363 -0.263 20 0 BBADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CN3C[C@@H]2CCC3)C1 ZINC000926171726 646588291 /nfs/dbraw/zinc/58/82/91/646588291.db2.gz AJNSPHGVZOQZBZ-RWMBFGLXSA-N 2 2 239.363 -0.263 20 0 BBADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2C(=O)NCC2(C)C)C1 ZINC000926175038 646589609 /nfs/dbraw/zinc/58/96/09/646589609.db2.gz VGTFPUKYKIHLEQ-BXKDBHETSA-N 2 2 241.335 -0.833 20 0 BBADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2C(=O)NCC2(C)C)C1 ZINC000926175038 646589606 /nfs/dbraw/zinc/58/96/06/646589606.db2.gz VGTFPUKYKIHLEQ-BXKDBHETSA-N 2 2 241.335 -0.833 20 0 BBADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2C(=O)NCC2(C)C)C1 ZINC000926175039 646588699 /nfs/dbraw/zinc/58/86/99/646588699.db2.gz VGTFPUKYKIHLEQ-CABZTGNLSA-N 2 2 241.335 -0.833 20 0 BBADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2C(=O)NCC2(C)C)C1 ZINC000926175039 646588695 /nfs/dbraw/zinc/58/86/95/646588695.db2.gz VGTFPUKYKIHLEQ-CABZTGNLSA-N 2 2 241.335 -0.833 20 0 BBADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2C(=O)NCC2(C)C)C1 ZINC000926175040 646588582 /nfs/dbraw/zinc/58/85/82/646588582.db2.gz VGTFPUKYKIHLEQ-JOYOIKCWSA-N 2 2 241.335 -0.833 20 0 BBADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2C(=O)NCC2(C)C)C1 ZINC000926175040 646588579 /nfs/dbraw/zinc/58/85/79/646588579.db2.gz VGTFPUKYKIHLEQ-JOYOIKCWSA-N 2 2 241.335 -0.833 20 0 BBADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2C(=O)NCC2(C)C)C1 ZINC000926175041 646589069 /nfs/dbraw/zinc/58/90/69/646589069.db2.gz VGTFPUKYKIHLEQ-SKDRFNHKSA-N 2 2 241.335 -0.833 20 0 BBADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2C(=O)NCC2(C)C)C1 ZINC000926175041 646589066 /nfs/dbraw/zinc/58/90/66/646589066.db2.gz VGTFPUKYKIHLEQ-SKDRFNHKSA-N 2 2 241.335 -0.833 20 0 BBADLP O[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000926767476 645413294 /nfs/dbraw/zinc/41/32/94/645413294.db2.gz PMDINOYGEIFLGH-FIQHERPVSA-N 2 2 226.320 -0.180 20 0 BBADLP O[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000926767476 645413287 /nfs/dbraw/zinc/41/32/87/645413287.db2.gz PMDINOYGEIFLGH-FIQHERPVSA-N 2 2 226.320 -0.180 20 0 BBADLP C[C@@H]1[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000928447239 635950330 /nfs/dbraw/zinc/95/03/30/635950330.db2.gz JQWBCHIZZLKGPJ-GMTAPVOTSA-N 2 2 241.335 -0.474 20 0 BBADLP C[C@@H]1[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000928447239 635950327 /nfs/dbraw/zinc/95/03/27/635950327.db2.gz JQWBCHIZZLKGPJ-GMTAPVOTSA-N 2 2 241.335 -0.474 20 0 BBADLP C[C@@H]1[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000928447239 635950324 /nfs/dbraw/zinc/95/03/24/635950324.db2.gz JQWBCHIZZLKGPJ-GMTAPVOTSA-N 2 2 241.335 -0.474 20 0 BBADLP C[C@@H]1[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000928447239 635950322 /nfs/dbraw/zinc/95/03/22/635950322.db2.gz JQWBCHIZZLKGPJ-GMTAPVOTSA-N 2 2 241.335 -0.474 20 0 BBADLP C[C@@H]1[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000928447240 635951086 /nfs/dbraw/zinc/95/10/86/635951086.db2.gz JQWBCHIZZLKGPJ-MXWKQRLJSA-N 2 2 241.335 -0.474 20 0 BBADLP C[C@@H]1[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000928447240 635951081 /nfs/dbraw/zinc/95/10/81/635951081.db2.gz JQWBCHIZZLKGPJ-MXWKQRLJSA-N 2 2 241.335 -0.474 20 0 BBADLP C[C@@H]1[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000928447240 635951079 /nfs/dbraw/zinc/95/10/79/635951079.db2.gz JQWBCHIZZLKGPJ-MXWKQRLJSA-N 2 2 241.335 -0.474 20 0 BBADLP C[C@@H]1[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000928447240 635951074 /nfs/dbraw/zinc/95/10/74/635951074.db2.gz JQWBCHIZZLKGPJ-MXWKQRLJSA-N 2 2 241.335 -0.474 20 0 BBADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000928447241 635951571 /nfs/dbraw/zinc/95/15/71/635951571.db2.gz JQWBCHIZZLKGPJ-OUAUKWLOSA-N 2 2 241.335 -0.474 20 0 BBADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000928447241 635951570 /nfs/dbraw/zinc/95/15/70/635951570.db2.gz JQWBCHIZZLKGPJ-OUAUKWLOSA-N 2 2 241.335 -0.474 20 0 BBADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000928447241 635951568 /nfs/dbraw/zinc/95/15/68/635951568.db2.gz JQWBCHIZZLKGPJ-OUAUKWLOSA-N 2 2 241.335 -0.474 20 0 BBADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000928447241 635951566 /nfs/dbraw/zinc/95/15/66/635951566.db2.gz JQWBCHIZZLKGPJ-OUAUKWLOSA-N 2 2 241.335 -0.474 20 0 BBADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000928447242 635951223 /nfs/dbraw/zinc/95/12/23/635951223.db2.gz JQWBCHIZZLKGPJ-VWYCJHECSA-N 2 2 241.335 -0.474 20 0 BBADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000928447242 635951220 /nfs/dbraw/zinc/95/12/20/635951220.db2.gz JQWBCHIZZLKGPJ-VWYCJHECSA-N 2 2 241.335 -0.474 20 0 BBADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000928447242 635951215 /nfs/dbraw/zinc/95/12/15/635951215.db2.gz JQWBCHIZZLKGPJ-VWYCJHECSA-N 2 2 241.335 -0.474 20 0 BBADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000928447242 635951209 /nfs/dbraw/zinc/95/12/09/635951209.db2.gz JQWBCHIZZLKGPJ-VWYCJHECSA-N 2 2 241.335 -0.474 20 0 BBADLP C[NH+]1CC[C@@H]1CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000928551942 645805208 /nfs/dbraw/zinc/80/52/08/645805208.db2.gz QRZVLBNUPJDUFX-CKYFFXLPSA-N 2 2 241.335 -0.738 20 0 BBADLP C[NH+]1CC[C@@H]1CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000928551942 645805205 /nfs/dbraw/zinc/80/52/05/645805205.db2.gz QRZVLBNUPJDUFX-CKYFFXLPSA-N 2 2 241.335 -0.738 20 0 BBADLP C[N@H+]1CC[C@@H]1CNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000928551942 645805202 /nfs/dbraw/zinc/80/52/02/645805202.db2.gz QRZVLBNUPJDUFX-CKYFFXLPSA-N 2 2 241.335 -0.738 20 0 BBADLP C[N@@H+]1CC[C@@H]1CNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000928551942 645805201 /nfs/dbraw/zinc/80/52/01/645805201.db2.gz QRZVLBNUPJDUFX-CKYFFXLPSA-N 2 2 241.335 -0.738 20 0 BBADLP C[NH+]1CC[C@@H]1CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000928551943 645807967 /nfs/dbraw/zinc/80/79/67/645807967.db2.gz QRZVLBNUPJDUFX-FOGDFJRCSA-N 2 2 241.335 -0.738 20 0 BBADLP C[NH+]1CC[C@@H]1CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000928551943 645807963 /nfs/dbraw/zinc/80/79/63/645807963.db2.gz QRZVLBNUPJDUFX-FOGDFJRCSA-N 2 2 241.335 -0.738 20 0 BBADLP C[N@H+]1CC[C@@H]1CNC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000928551943 645807960 /nfs/dbraw/zinc/80/79/60/645807960.db2.gz QRZVLBNUPJDUFX-FOGDFJRCSA-N 2 2 241.335 -0.738 20 0 BBADLP C[N@@H+]1CC[C@@H]1CNC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000928551943 645807956 /nfs/dbraw/zinc/80/79/56/645807956.db2.gz QRZVLBNUPJDUFX-FOGDFJRCSA-N 2 2 241.335 -0.738 20 0 BBADLP C[NH+]1CC[C@@H]1CNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000928551944 645807320 /nfs/dbraw/zinc/80/73/20/645807320.db2.gz QRZVLBNUPJDUFX-JFGNBEQYSA-N 2 2 241.335 -0.738 20 0 BBADLP C[NH+]1CC[C@@H]1CNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000928551944 645807315 /nfs/dbraw/zinc/80/73/15/645807315.db2.gz QRZVLBNUPJDUFX-JFGNBEQYSA-N 2 2 241.335 -0.738 20 0 BBADLP C[N@H+]1CC[C@@H]1CNC(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000928551944 645807311 /nfs/dbraw/zinc/80/73/11/645807311.db2.gz QRZVLBNUPJDUFX-JFGNBEQYSA-N 2 2 241.335 -0.738 20 0 BBADLP C[N@@H+]1CC[C@@H]1CNC(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000928551944 645807309 /nfs/dbraw/zinc/80/73/09/645807309.db2.gz QRZVLBNUPJDUFX-JFGNBEQYSA-N 2 2 241.335 -0.738 20 0 BBADLP C[NH+]1CC[C@@H]1CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000928551945 645806308 /nfs/dbraw/zinc/80/63/08/645806308.db2.gz QRZVLBNUPJDUFX-SCVCMEIPSA-N 2 2 241.335 -0.738 20 0 BBADLP C[NH+]1CC[C@@H]1CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000928551945 645806301 /nfs/dbraw/zinc/80/63/01/645806301.db2.gz QRZVLBNUPJDUFX-SCVCMEIPSA-N 2 2 241.335 -0.738 20 0 BBADLP C[N@H+]1CC[C@@H]1CNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000928551945 645806298 /nfs/dbraw/zinc/80/62/98/645806298.db2.gz QRZVLBNUPJDUFX-SCVCMEIPSA-N 2 2 241.335 -0.738 20 0 BBADLP C[N@@H+]1CC[C@@H]1CNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000928551945 645806295 /nfs/dbraw/zinc/80/62/95/645806295.db2.gz QRZVLBNUPJDUFX-SCVCMEIPSA-N 2 2 241.335 -0.738 20 0 BBADLP C[NH+](C)C1(C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000928553044 636087521 /nfs/dbraw/zinc/08/75/21/636087521.db2.gz DJIDWSXDRIQURE-SECBINFHSA-N 2 2 211.309 -0.099 20 0 BBADLP C[NH+](C)C1(C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000928553044 636087519 /nfs/dbraw/zinc/08/75/19/636087519.db2.gz DJIDWSXDRIQURE-SECBINFHSA-N 2 2 211.309 -0.099 20 0 BBADLP C[NH+](C)C1(C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000928553047 636087431 /nfs/dbraw/zinc/08/74/31/636087431.db2.gz DJIDWSXDRIQURE-VIFPVBQESA-N 2 2 211.309 -0.099 20 0 BBADLP C[NH+](C)C1(C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000928553047 636087427 /nfs/dbraw/zinc/08/74/27/636087427.db2.gz DJIDWSXDRIQURE-VIFPVBQESA-N 2 2 211.309 -0.099 20 0 BBADLP C[N@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000928557675 645809424 /nfs/dbraw/zinc/80/94/24/645809424.db2.gz VIJINPYRZHKXNR-SECBINFHSA-N 2 2 208.265 -0.297 20 0 BBADLP C[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000928557675 645809421 /nfs/dbraw/zinc/80/94/21/645809421.db2.gz VIJINPYRZHKXNR-SECBINFHSA-N 2 2 208.265 -0.297 20 0 BBADLP C[N@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000928557676 645808844 /nfs/dbraw/zinc/80/88/44/645808844.db2.gz VIJINPYRZHKXNR-VIFPVBQESA-N 2 2 208.265 -0.297 20 0 BBADLP C[N@@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000928557676 645808841 /nfs/dbraw/zinc/80/88/41/645808841.db2.gz VIJINPYRZHKXNR-VIFPVBQESA-N 2 2 208.265 -0.297 20 0 BBADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[N@H+]1C ZINC000928558263 645817256 /nfs/dbraw/zinc/81/72/56/645817256.db2.gz JMQKKBMFNXENHD-SECBINFHSA-N 2 2 222.292 -0.217 20 0 BBADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[N@@H+]1C ZINC000928558263 645817255 /nfs/dbraw/zinc/81/72/55/645817255.db2.gz JMQKKBMFNXENHD-SECBINFHSA-N 2 2 222.292 -0.217 20 0 BBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CC[N@H+]1C ZINC000928558264 645816888 /nfs/dbraw/zinc/81/68/88/645816888.db2.gz JMQKKBMFNXENHD-VIFPVBQESA-N 2 2 222.292 -0.217 20 0 BBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928558264 645816883 /nfs/dbraw/zinc/81/68/83/645816883.db2.gz JMQKKBMFNXENHD-VIFPVBQESA-N 2 2 222.292 -0.217 20 0 BBADLP C[N@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC000928559048 636102241 /nfs/dbraw/zinc/10/22/41/636102241.db2.gz UUWJVFPNGKQVGB-JTQLQIEISA-N 2 2 211.309 -0.098 20 0 BBADLP C[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC000928559048 636102238 /nfs/dbraw/zinc/10/22/38/636102238.db2.gz UUWJVFPNGKQVGB-JTQLQIEISA-N 2 2 211.309 -0.098 20 0 BBADLP C[N@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC000928559050 636102626 /nfs/dbraw/zinc/10/26/26/636102626.db2.gz UUWJVFPNGKQVGB-SNVBAGLBSA-N 2 2 211.309 -0.098 20 0 BBADLP C[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC000928559050 636102625 /nfs/dbraw/zinc/10/26/25/636102625.db2.gz UUWJVFPNGKQVGB-SNVBAGLBSA-N 2 2 211.309 -0.098 20 0 BBADLP C[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000928564413 711778425 /nfs/dbraw/zinc/77/84/25/711778425.db2.gz UGZFSMHLJXTJFS-NXEZZACHSA-N 2 2 227.308 -0.863 20 0 BBADLP C[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000928564413 711778424 /nfs/dbraw/zinc/77/84/24/711778424.db2.gz UGZFSMHLJXTJFS-NXEZZACHSA-N 2 2 227.308 -0.863 20 0 BBADLP C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000928564413 711778423 /nfs/dbraw/zinc/77/84/23/711778423.db2.gz UGZFSMHLJXTJFS-NXEZZACHSA-N 2 2 227.308 -0.863 20 0 BBADLP C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000928564413 711778421 /nfs/dbraw/zinc/77/84/21/711778421.db2.gz UGZFSMHLJXTJFS-NXEZZACHSA-N 2 2 227.308 -0.863 20 0 BBADLP C[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000928564414 711778488 /nfs/dbraw/zinc/77/84/88/711778488.db2.gz UGZFSMHLJXTJFS-UWVGGRQHSA-N 2 2 227.308 -0.863 20 0 BBADLP C[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000928564414 711778487 /nfs/dbraw/zinc/77/84/87/711778487.db2.gz UGZFSMHLJXTJFS-UWVGGRQHSA-N 2 2 227.308 -0.863 20 0 BBADLP C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000928564414 711778486 /nfs/dbraw/zinc/77/84/86/711778486.db2.gz UGZFSMHLJXTJFS-UWVGGRQHSA-N 2 2 227.308 -0.863 20 0 BBADLP C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000928564414 711778485 /nfs/dbraw/zinc/77/84/85/711778485.db2.gz UGZFSMHLJXTJFS-UWVGGRQHSA-N 2 2 227.308 -0.863 20 0 BBADLP C[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000928564415 711778558 /nfs/dbraw/zinc/77/85/58/711778558.db2.gz UGZFSMHLJXTJFS-VHSXEESVSA-N 2 2 227.308 -0.863 20 0 BBADLP C[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000928564415 711778557 /nfs/dbraw/zinc/77/85/57/711778557.db2.gz UGZFSMHLJXTJFS-VHSXEESVSA-N 2 2 227.308 -0.863 20 0 BBADLP C[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000928564415 711778556 /nfs/dbraw/zinc/77/85/56/711778556.db2.gz UGZFSMHLJXTJFS-VHSXEESVSA-N 2 2 227.308 -0.863 20 0 BBADLP C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000928564415 711778555 /nfs/dbraw/zinc/77/85/55/711778555.db2.gz UGZFSMHLJXTJFS-VHSXEESVSA-N 2 2 227.308 -0.863 20 0 BBADLP C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000928564416 711778411 /nfs/dbraw/zinc/77/84/11/711778411.db2.gz UGZFSMHLJXTJFS-ZJUUUORDSA-N 2 2 227.308 -0.863 20 0 BBADLP C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000928564416 711778410 /nfs/dbraw/zinc/77/84/10/711778410.db2.gz UGZFSMHLJXTJFS-ZJUUUORDSA-N 2 2 227.308 -0.863 20 0 BBADLP C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000928564416 711778408 /nfs/dbraw/zinc/77/84/08/711778408.db2.gz UGZFSMHLJXTJFS-ZJUUUORDSA-N 2 2 227.308 -0.863 20 0 BBADLP C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000928564416 711778407 /nfs/dbraw/zinc/77/84/07/711778407.db2.gz UGZFSMHLJXTJFS-ZJUUUORDSA-N 2 2 227.308 -0.863 20 0 BBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000928564667 711778697 /nfs/dbraw/zinc/77/86/97/711778697.db2.gz WMVNURFYTZIOLP-GHMZBOCLSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000928564667 711778696 /nfs/dbraw/zinc/77/86/96/711778696.db2.gz WMVNURFYTZIOLP-GHMZBOCLSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000928564667 711778695 /nfs/dbraw/zinc/77/86/95/711778695.db2.gz WMVNURFYTZIOLP-GHMZBOCLSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000928564667 711778694 /nfs/dbraw/zinc/77/86/94/711778694.db2.gz WMVNURFYTZIOLP-GHMZBOCLSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000928564668 711778971 /nfs/dbraw/zinc/77/89/71/711778971.db2.gz WMVNURFYTZIOLP-MNOVXSKESA-N 2 2 241.335 -0.473 20 0 BBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000928564668 711778969 /nfs/dbraw/zinc/77/89/69/711778969.db2.gz WMVNURFYTZIOLP-MNOVXSKESA-N 2 2 241.335 -0.473 20 0 BBADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000928564668 711778968 /nfs/dbraw/zinc/77/89/68/711778968.db2.gz WMVNURFYTZIOLP-MNOVXSKESA-N 2 2 241.335 -0.473 20 0 BBADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000928564668 711778966 /nfs/dbraw/zinc/77/89/66/711778966.db2.gz WMVNURFYTZIOLP-MNOVXSKESA-N 2 2 241.335 -0.473 20 0 BBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000928564669 711778680 /nfs/dbraw/zinc/77/86/80/711778680.db2.gz WMVNURFYTZIOLP-QWRGUYRKSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000928564669 711778679 /nfs/dbraw/zinc/77/86/79/711778679.db2.gz WMVNURFYTZIOLP-QWRGUYRKSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000928564669 711778678 /nfs/dbraw/zinc/77/86/78/711778678.db2.gz WMVNURFYTZIOLP-QWRGUYRKSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000928564669 711778677 /nfs/dbraw/zinc/77/86/77/711778677.db2.gz WMVNURFYTZIOLP-QWRGUYRKSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000928564670 711778690 /nfs/dbraw/zinc/77/86/90/711778690.db2.gz WMVNURFYTZIOLP-WDEREUQCSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000928564670 711778689 /nfs/dbraw/zinc/77/86/89/711778689.db2.gz WMVNURFYTZIOLP-WDEREUQCSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000928564670 711778688 /nfs/dbraw/zinc/77/86/88/711778688.db2.gz WMVNURFYTZIOLP-WDEREUQCSA-N 2 2 241.335 -0.473 20 0 BBADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000928564670 711778687 /nfs/dbraw/zinc/77/86/87/711778687.db2.gz WMVNURFYTZIOLP-WDEREUQCSA-N 2 2 241.335 -0.473 20 0 BBADLP C[C@H](O)[C@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000929259329 646042070 /nfs/dbraw/zinc/04/20/70/646042070.db2.gz CEPAXXUFOCKTKS-GXSJLCMTSA-N 2 2 216.325 -0.246 20 0 BBADLP C[C@@H](O)[C@@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000929259330 646041717 /nfs/dbraw/zinc/04/17/17/646041717.db2.gz CEPAXXUFOCKTKS-KOLCDFICSA-N 2 2 216.325 -0.246 20 0 BBADLP C[C@@H](O)[C@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000929259331 646043487 /nfs/dbraw/zinc/04/34/87/646043487.db2.gz CEPAXXUFOCKTKS-MWLCHTKSSA-N 2 2 216.325 -0.246 20 0 BBADLP C[C@H](O)[C@@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000929259332 646038501 /nfs/dbraw/zinc/03/85/01/646038501.db2.gz CEPAXXUFOCKTKS-ONGXEEELSA-N 2 2 216.325 -0.246 20 0 BBADLP C[N@@H+](CCCO)C1CC[NH+](C[C@@H](O)CO)CC1 ZINC000929657788 646226784 /nfs/dbraw/zinc/22/67/84/646226784.db2.gz ONJNGBLLEDIKHG-GFCCVEGCSA-N 2 2 246.351 -0.882 20 0 BBADLP C[N@H+](CCCO)C1CC[NH+](C[C@@H](O)CO)CC1 ZINC000929657788 646226783 /nfs/dbraw/zinc/22/67/83/646226783.db2.gz ONJNGBLLEDIKHG-GFCCVEGCSA-N 2 2 246.351 -0.882 20 0 BBADLP C[N@@H+](CCCO)C1CC[NH+](C[C@H](O)CO)CC1 ZINC000929657789 646224305 /nfs/dbraw/zinc/22/43/05/646224305.db2.gz ONJNGBLLEDIKHG-LBPRGKRZSA-N 2 2 246.351 -0.882 20 0 BBADLP C[N@H+](CCCO)C1CC[NH+](C[C@H](O)CO)CC1 ZINC000929657789 646224300 /nfs/dbraw/zinc/22/43/00/646224300.db2.gz ONJNGBLLEDIKHG-LBPRGKRZSA-N 2 2 246.351 -0.882 20 0 BBADLP OC[C@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000929804055 646326248 /nfs/dbraw/zinc/32/62/48/646326248.db2.gz RZHJMCZTTXDOIN-LLVKDONJSA-N 2 2 225.292 -0.127 20 0 BBADLP OC[C@@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000929804311 646328446 /nfs/dbraw/zinc/32/84/46/646328446.db2.gz UGBZAIVCQFMFRV-JTQLQIEISA-N 2 2 225.292 -0.058 20 0 BBADLP OC[C@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000929804312 646327973 /nfs/dbraw/zinc/32/79/73/646327973.db2.gz UGBZAIVCQFMFRV-SNVBAGLBSA-N 2 2 225.292 -0.058 20 0 BBADLP OC[C@@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000929807159 646327578 /nfs/dbraw/zinc/32/75/78/646327578.db2.gz RZHJMCZTTXDOIN-NSHDSACASA-N 2 2 225.292 -0.127 20 0 BBADLP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)CO)CC1 ZINC000929962964 646379656 /nfs/dbraw/zinc/37/96/56/646379656.db2.gz VTIOSEKMWPTWHC-LLVKDONJSA-N 2 2 216.325 -0.198 20 0 BBADLP CC(C)[NH2+]C1CC[NH+](C[C@H](O)CO)CC1 ZINC000929962992 646378795 /nfs/dbraw/zinc/37/87/95/646378795.db2.gz VTIOSEKMWPTWHC-NSHDSACASA-N 2 2 216.325 -0.198 20 0 BBADLP C[C@@H](O)[C@H](O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000930126174 642474557 /nfs/dbraw/zinc/47/45/57/642474557.db2.gz QKVVVOIBHPZKGT-GHMZBOCLSA-N 2 2 227.308 -0.053 20 0 BBADLP C[C@@H](O)[C@H](O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000930126174 642474554 /nfs/dbraw/zinc/47/45/54/642474554.db2.gz QKVVVOIBHPZKGT-GHMZBOCLSA-N 2 2 227.308 -0.053 20 0 BBADLP C[C@@H](O)[C@@H](O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000930126178 642475321 /nfs/dbraw/zinc/47/53/21/642475321.db2.gz QKVVVOIBHPZKGT-MNOVXSKESA-N 2 2 227.308 -0.053 20 0 BBADLP C[C@@H](O)[C@@H](O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000930126178 642475318 /nfs/dbraw/zinc/47/53/18/642475318.db2.gz QKVVVOIBHPZKGT-MNOVXSKESA-N 2 2 227.308 -0.053 20 0 BBADLP C[C@H](O)[C@@H](O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000930126189 642474387 /nfs/dbraw/zinc/47/43/87/642474387.db2.gz QKVVVOIBHPZKGT-QWRGUYRKSA-N 2 2 227.308 -0.053 20 0 BBADLP C[C@H](O)[C@@H](O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000930126189 642474384 /nfs/dbraw/zinc/47/43/84/642474384.db2.gz QKVVVOIBHPZKGT-QWRGUYRKSA-N 2 2 227.308 -0.053 20 0 BBADLP C[C@H](O)[C@H](O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000930126192 642475563 /nfs/dbraw/zinc/47/55/63/642475563.db2.gz QKVVVOIBHPZKGT-WDEREUQCSA-N 2 2 227.308 -0.053 20 0 BBADLP C[C@H](O)[C@H](O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000930126192 642475553 /nfs/dbraw/zinc/47/55/53/642475553.db2.gz QKVVVOIBHPZKGT-WDEREUQCSA-N 2 2 227.308 -0.053 20 0 BBADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)CO ZINC000930127527 646449928 /nfs/dbraw/zinc/44/99/28/646449928.db2.gz WPTVHQRVLDRBFM-JTQLQIEISA-N 2 2 213.281 -0.442 20 0 BBADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)CO ZINC000930127527 646449926 /nfs/dbraw/zinc/44/99/26/646449926.db2.gz WPTVHQRVLDRBFM-JTQLQIEISA-N 2 2 213.281 -0.442 20 0 BBADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)CO ZINC000930127528 646449509 /nfs/dbraw/zinc/44/95/09/646449509.db2.gz WPTVHQRVLDRBFM-SNVBAGLBSA-N 2 2 213.281 -0.442 20 0 BBADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)CO ZINC000930127528 646449502 /nfs/dbraw/zinc/44/95/02/646449502.db2.gz WPTVHQRVLDRBFM-SNVBAGLBSA-N 2 2 213.281 -0.442 20 0 BBADLP CC[C@H](CO)[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000930851050 639947111 /nfs/dbraw/zinc/94/71/11/639947111.db2.gz WCIAYEKNXLHKOW-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP CC[C@H](CO)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000930851050 639947103 /nfs/dbraw/zinc/94/71/03/639947103.db2.gz WCIAYEKNXLHKOW-LLVKDONJSA-N 2 2 243.351 -0.537 20 0 BBADLP CC[C@@H](CO)[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000930851052 639930731 /nfs/dbraw/zinc/93/07/31/639930731.db2.gz WCIAYEKNXLHKOW-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP CC[C@@H](CO)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000930851052 639930719 /nfs/dbraw/zinc/93/07/19/639930719.db2.gz WCIAYEKNXLHKOW-NSHDSACASA-N 2 2 243.351 -0.537 20 0 BBADLP Cn1nnnc1CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931276867 640125756 /nfs/dbraw/zinc/12/57/56/640125756.db2.gz KLIGEEJNAYIBNG-JZYVYDRUSA-N 2 2 236.323 -0.756 20 0 BBADLP Cn1nnnc1CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931276867 640125746 /nfs/dbraw/zinc/12/57/46/640125746.db2.gz KLIGEEJNAYIBNG-JZYVYDRUSA-N 2 2 236.323 -0.756 20 0 BBADLP CON(C)C(=O)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277142 640128268 /nfs/dbraw/zinc/12/82/68/640128268.db2.gz JCYQLCRTFLXOKD-IAZYJMLFSA-N 2 2 241.335 -0.112 20 0 BBADLP CON(C)C(=O)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277142 640128263 /nfs/dbraw/zinc/12/82/63/640128263.db2.gz JCYQLCRTFLXOKD-IAZYJMLFSA-N 2 2 241.335 -0.112 20 0 BBADLP CON1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931277435 634301861 /nfs/dbraw/zinc/30/18/61/634301861.db2.gz PEWMPUJWQMZVPD-YTWAJWBKSA-N 2 2 239.319 -0.360 20 0 BBADLP CON1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931277435 634301857 /nfs/dbraw/zinc/30/18/57/634301857.db2.gz PEWMPUJWQMZVPD-YTWAJWBKSA-N 2 2 239.319 -0.360 20 0 BBADLP CON1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931277436 634301268 /nfs/dbraw/zinc/30/12/68/634301268.db2.gz PEWMPUJWQMZVPD-ZRUFSTJUSA-N 2 2 239.319 -0.360 20 0 BBADLP CON1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931277436 634301262 /nfs/dbraw/zinc/30/12/62/634301262.db2.gz PEWMPUJWQMZVPD-ZRUFSTJUSA-N 2 2 239.319 -0.360 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCn3cnnn3)C[C@H]21 ZINC000931277653 640129002 /nfs/dbraw/zinc/12/90/02/640129002.db2.gz QERBQYFRPYMDLD-MYJAWHEDSA-N 2 2 222.296 -0.835 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCn3cnnn3)C[C@H]21 ZINC000931277653 640128999 /nfs/dbraw/zinc/12/89/99/640128999.db2.gz QERBQYFRPYMDLD-MYJAWHEDSA-N 2 2 222.296 -0.835 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H]3COCCO3)C[C@H]21 ZINC000931277675 640128449 /nfs/dbraw/zinc/12/84/49/640128449.db2.gz RCSHGNHLYRPVQU-NNYUYHANSA-N 2 2 226.320 -0.106 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H]3COCCO3)C[C@H]21 ZINC000931277675 640128441 /nfs/dbraw/zinc/12/84/41/640128441.db2.gz RCSHGNHLYRPVQU-NNYUYHANSA-N 2 2 226.320 -0.106 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H]3COCCO3)C[C@H]21 ZINC000931277676 640127575 /nfs/dbraw/zinc/12/75/75/640127575.db2.gz RCSHGNHLYRPVQU-WYUUTHIRSA-N 2 2 226.320 -0.106 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H]3COCCO3)C[C@H]21 ZINC000931277676 640127570 /nfs/dbraw/zinc/12/75/70/640127570.db2.gz RCSHGNHLYRPVQU-WYUUTHIRSA-N 2 2 226.320 -0.106 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCCS(N)(=O)=O)C[C@H]21 ZINC000931277693 640130135 /nfs/dbraw/zinc/13/01/35/640130135.db2.gz RNQPBPBZFRFYPU-MYJAWHEDSA-N 2 2 247.364 -0.843 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCCS(N)(=O)=O)C[C@H]21 ZINC000931277693 640130128 /nfs/dbraw/zinc/13/01/28/640130128.db2.gz RNQPBPBZFRFYPU-MYJAWHEDSA-N 2 2 247.364 -0.843 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)C3(O)CCC3)C[C@H]21 ZINC000931277852 640128257 /nfs/dbraw/zinc/12/82/57/640128257.db2.gz SGFZJHJTZVPLAU-KXNHARMFSA-N 2 2 240.347 -0.246 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H](O)C3(O)CCC3)C[C@H]21 ZINC000931277852 640128254 /nfs/dbraw/zinc/12/82/54/640128254.db2.gz SGFZJHJTZVPLAU-KXNHARMFSA-N 2 2 240.347 -0.246 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H](O)C3(O)CCC3)C[C@H]21 ZINC000931277853 640129576 /nfs/dbraw/zinc/12/95/76/640129576.db2.gz SGFZJHJTZVPLAU-WHOHXGKFSA-N 2 2 240.347 -0.246 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H](O)C3(O)CCC3)C[C@H]21 ZINC000931277853 640129571 /nfs/dbraw/zinc/12/95/71/640129571.db2.gz SGFZJHJTZVPLAU-WHOHXGKFSA-N 2 2 240.347 -0.246 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC000931278153 640128976 /nfs/dbraw/zinc/12/89/76/640128976.db2.gz YZUDJZZRDSUEQD-URLYPYJESA-N 2 2 221.308 -0.230 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC000931278153 640128975 /nfs/dbraw/zinc/12/89/75/640128975.db2.gz YZUDJZZRDSUEQD-URLYPYJESA-N 2 2 221.308 -0.230 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC000931278514 640128986 /nfs/dbraw/zinc/12/89/86/640128986.db2.gz ZGWQYIZSTOZZIQ-URLYPYJESA-N 2 2 238.335 -0.497 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC000931278514 640128983 /nfs/dbraw/zinc/12/89/83/640128983.db2.gz ZGWQYIZSTOZZIQ-URLYPYJESA-N 2 2 238.335 -0.497 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000931278687 640128148 /nfs/dbraw/zinc/12/81/48/640128148.db2.gz LBRBJNVQXHAVAA-LOKLDPHHSA-N 2 2 237.303 -0.717 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000931278687 640128145 /nfs/dbraw/zinc/12/81/45/640128145.db2.gz LBRBJNVQXHAVAA-LOKLDPHHSA-N 2 2 237.303 -0.717 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000931278688 640130963 /nfs/dbraw/zinc/13/09/63/640130963.db2.gz LBRBJNVQXHAVAA-QCBRBAQYSA-N 2 2 237.303 -0.717 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000931278688 640130959 /nfs/dbraw/zinc/13/09/59/640130959.db2.gz LBRBJNVQXHAVAA-QCBRBAQYSA-N 2 2 237.303 -0.717 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCC(=O)NC(N)=O)C[C@H]21 ZINC000931279463 640134758 /nfs/dbraw/zinc/13/47/58/640134758.db2.gz JOZLYXPBLUVPRR-MBTKJCJQSA-N 2 2 240.307 -0.937 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCC(=O)NC(N)=O)C[C@H]21 ZINC000931279463 640134752 /nfs/dbraw/zinc/13/47/52/640134752.db2.gz JOZLYXPBLUVPRR-MBTKJCJQSA-N 2 2 240.307 -0.937 20 0 BBADLP CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931279518 640131688 /nfs/dbraw/zinc/13/16/88/640131688.db2.gz KLHPKHPFRHZBIO-YTWAJWBKSA-N 2 2 223.320 -0.291 20 0 BBADLP CN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931279518 640131680 /nfs/dbraw/zinc/13/16/80/640131680.db2.gz KLHPKHPFRHZBIO-YTWAJWBKSA-N 2 2 223.320 -0.291 20 0 BBADLP CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931279519 640126833 /nfs/dbraw/zinc/12/68/33/640126833.db2.gz KLHPKHPFRHZBIO-ZRUFSTJUSA-N 2 2 223.320 -0.291 20 0 BBADLP CN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931279519 640126829 /nfs/dbraw/zinc/12/68/29/640126829.db2.gz KLHPKHPFRHZBIO-ZRUFSTJUSA-N 2 2 223.320 -0.291 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC000931280746 640132267 /nfs/dbraw/zinc/13/22/67/640132267.db2.gz RKELMINMRPBSLB-YTWAJWBKSA-N 2 2 223.320 -0.243 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC000931280746 640132263 /nfs/dbraw/zinc/13/22/63/640132263.db2.gz RKELMINMRPBSLB-YTWAJWBKSA-N 2 2 223.320 -0.243 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC000931280747 640133895 /nfs/dbraw/zinc/13/38/95/640133895.db2.gz RKELMINMRPBSLB-ZRUFSTJUSA-N 2 2 223.320 -0.243 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC000931280747 640133888 /nfs/dbraw/zinc/13/38/88/640133888.db2.gz RKELMINMRPBSLB-ZRUFSTJUSA-N 2 2 223.320 -0.243 20 0 BBADLP Cn1cc(CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)nn1 ZINC000931280854 640132617 /nfs/dbraw/zinc/13/26/17/640132617.db2.gz LNSQDXVOAHKWNB-GDNZZTSVSA-N 2 2 235.335 -0.151 20 0 BBADLP Cn1cc(CC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)nn1 ZINC000931280854 640132612 /nfs/dbraw/zinc/13/26/12/640132612.db2.gz LNSQDXVOAHKWNB-GDNZZTSVSA-N 2 2 235.335 -0.151 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000931281578 640135259 /nfs/dbraw/zinc/13/52/59/640135259.db2.gz UXACXDLABXKPLK-QCLAVDOMSA-N 2 2 209.293 -0.633 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000931281578 640135256 /nfs/dbraw/zinc/13/52/56/640135256.db2.gz UXACXDLABXKPLK-QCLAVDOMSA-N 2 2 209.293 -0.633 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCC(=O)N3)C[C@H]21 ZINC000931281660 640132322 /nfs/dbraw/zinc/13/23/22/640132322.db2.gz WDRNTSXUVSFIDX-UXCLJVHYSA-N 2 2 223.320 -0.243 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCC(=O)N3)C[C@H]21 ZINC000931281660 640132316 /nfs/dbraw/zinc/13/23/16/640132316.db2.gz WDRNTSXUVSFIDX-UXCLJVHYSA-N 2 2 223.320 -0.243 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000931281666 640134886 /nfs/dbraw/zinc/13/48/86/640134886.db2.gz UXACXDLABXKPLK-RGOKHQFPSA-N 2 2 209.293 -0.633 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000931281666 640134879 /nfs/dbraw/zinc/13/48/79/640134879.db2.gz UXACXDLABXKPLK-RGOKHQFPSA-N 2 2 209.293 -0.633 20 0 BBADLP C[C@H](O)[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931281698 640135654 /nfs/dbraw/zinc/13/56/54/640135654.db2.gz WYEXEOYOVBUWQR-FBDQPXRJSA-N 2 2 214.309 -0.780 20 0 BBADLP C[C@H](O)[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931281698 640135651 /nfs/dbraw/zinc/13/56/51/640135651.db2.gz WYEXEOYOVBUWQR-FBDQPXRJSA-N 2 2 214.309 -0.780 20 0 BBADLP C[C@@H](O)[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931281702 640137653 /nfs/dbraw/zinc/13/76/53/640137653.db2.gz WYEXEOYOVBUWQR-NZFPMDFQSA-N 2 2 214.309 -0.780 20 0 BBADLP C[C@@H](O)[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931281702 640137650 /nfs/dbraw/zinc/13/76/50/640137650.db2.gz WYEXEOYOVBUWQR-NZFPMDFQSA-N 2 2 214.309 -0.780 20 0 BBADLP C[C@H](O)[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931281704 640122075 /nfs/dbraw/zinc/12/20/75/640122075.db2.gz WYEXEOYOVBUWQR-QUARPLMYSA-N 2 2 214.309 -0.780 20 0 BBADLP C[C@H](O)[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931281704 640122069 /nfs/dbraw/zinc/12/20/69/640122069.db2.gz WYEXEOYOVBUWQR-QUARPLMYSA-N 2 2 214.309 -0.780 20 0 BBADLP C[C@@H](O)[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931281706 640121775 /nfs/dbraw/zinc/12/17/75/640121775.db2.gz WYEXEOYOVBUWQR-UVOCVTCTSA-N 2 2 214.309 -0.780 20 0 BBADLP C[C@@H](O)[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931281706 640121767 /nfs/dbraw/zinc/12/17/67/640121767.db2.gz WYEXEOYOVBUWQR-UVOCVTCTSA-N 2 2 214.309 -0.780 20 0 BBADLP C[NH+](C)[C@@H]1[C@H]2CN(CC[NH+]3CCOCC3)C[C@H]21 ZINC000931281898 640136557 /nfs/dbraw/zinc/13/65/57/640136557.db2.gz ZJTDRRUDNTVHBQ-ITGUQSILSA-N 2 2 239.363 -0.190 20 0 BBADLP C[NH+](C)CC1(O)CC[NH+](Cc2cnon2)CC1 ZINC000931482031 640234932 /nfs/dbraw/zinc/23/49/32/640234932.db2.gz ZDCMDKQZODOFGA-UHFFFAOYSA-N 2 2 240.307 -0.042 20 0 BBADLP Nc1cc[nH+]c2c1C[N@@H+](C[C@H](O)CO)CC2 ZINC000931511829 640243903 /nfs/dbraw/zinc/24/39/03/640243903.db2.gz ICPMFGCWMJWSOK-QMMMGPOBSA-N 2 2 223.276 -0.625 20 0 BBADLP C[C@@H](O)[C@@H](O)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515862 640247560 /nfs/dbraw/zinc/24/75/60/640247560.db2.gz MPPOPCVQVCRWEQ-PELKAZGASA-N 2 2 237.303 -0.236 20 0 BBADLP C[C@@H](O)[C@@H](O)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515862 640247558 /nfs/dbraw/zinc/24/75/58/640247558.db2.gz MPPOPCVQVCRWEQ-PELKAZGASA-N 2 2 237.303 -0.236 20 0 BBADLP C[C@@H](O)[C@H](O)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515866 640246602 /nfs/dbraw/zinc/24/66/02/640246602.db2.gz MPPOPCVQVCRWEQ-PRHODGIISA-N 2 2 237.303 -0.236 20 0 BBADLP C[C@@H](O)[C@H](O)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515866 640246596 /nfs/dbraw/zinc/24/65/96/640246596.db2.gz MPPOPCVQVCRWEQ-PRHODGIISA-N 2 2 237.303 -0.236 20 0 BBADLP C[C@H](O)[C@H](O)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515868 640247618 /nfs/dbraw/zinc/24/76/18/640247618.db2.gz MPPOPCVQVCRWEQ-QPUJVOFHSA-N 2 2 237.303 -0.236 20 0 BBADLP C[C@H](O)[C@H](O)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515868 640247612 /nfs/dbraw/zinc/24/76/12/640247612.db2.gz MPPOPCVQVCRWEQ-QPUJVOFHSA-N 2 2 237.303 -0.236 20 0 BBADLP C[C@H](O)[C@@H](O)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515870 640245359 /nfs/dbraw/zinc/24/53/59/640245359.db2.gz MPPOPCVQVCRWEQ-UFBFGSQYSA-N 2 2 237.303 -0.236 20 0 BBADLP C[C@H](O)[C@@H](O)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515870 640245356 /nfs/dbraw/zinc/24/53/56/640245356.db2.gz MPPOPCVQVCRWEQ-UFBFGSQYSA-N 2 2 237.303 -0.236 20 0 BBADLP Nc1cc[nH+]c2c1C[N@@H+](C[C@@H](O)CO)CC2 ZINC000931516142 640245204 /nfs/dbraw/zinc/24/52/04/640245204.db2.gz ICPMFGCWMJWSOK-MRVPVSSYSA-N 2 2 223.276 -0.625 20 0 BBADLP Nc1cc[nH+]c2c1C[N@H+](C[C@@H](O)CO)CC2 ZINC000931516142 640245199 /nfs/dbraw/zinc/24/51/99/640245199.db2.gz ICPMFGCWMJWSOK-MRVPVSSYSA-N 2 2 223.276 -0.625 20 0 BBADLP C[C@H](O)[C@H](O)C[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000931622696 640294881 /nfs/dbraw/zinc/29/48/81/640294881.db2.gz RNROFRFCFUYAQH-FIQHERPVSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@H](O)[C@H](O)C[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000931622696 640294876 /nfs/dbraw/zinc/29/48/76/640294876.db2.gz RNROFRFCFUYAQH-FIQHERPVSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@H](O)[C@H](O)C[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000931622696 640294872 /nfs/dbraw/zinc/29/48/72/640294872.db2.gz RNROFRFCFUYAQH-FIQHERPVSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@H](O)[C@H](O)C[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000931622696 640294868 /nfs/dbraw/zinc/29/48/68/640294868.db2.gz RNROFRFCFUYAQH-FIQHERPVSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@H](O)[C@H](O)C[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000931622708 640294814 /nfs/dbraw/zinc/29/48/14/640294814.db2.gz RNROFRFCFUYAQH-IRCOFANPSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@H](O)[C@H](O)C[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000931622708 640294807 /nfs/dbraw/zinc/29/48/07/640294807.db2.gz RNROFRFCFUYAQH-IRCOFANPSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@H](O)[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000931622708 640294804 /nfs/dbraw/zinc/29/48/04/640294804.db2.gz RNROFRFCFUYAQH-IRCOFANPSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@H](O)[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000931622708 640294802 /nfs/dbraw/zinc/29/48/02/640294802.db2.gz RNROFRFCFUYAQH-IRCOFANPSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@H](O)[C@H](O)C[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000931622709 640293133 /nfs/dbraw/zinc/29/31/33/640293133.db2.gz RNROFRFCFUYAQH-NNYUYHANSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@H](O)[C@H](O)C[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000931622709 640293128 /nfs/dbraw/zinc/29/31/28/640293128.db2.gz RNROFRFCFUYAQH-NNYUYHANSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@H](O)[C@H](O)C[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000931622709 640293126 /nfs/dbraw/zinc/29/31/26/640293126.db2.gz RNROFRFCFUYAQH-NNYUYHANSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@H](O)[C@H](O)C[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000931622709 640293121 /nfs/dbraw/zinc/29/31/21/640293121.db2.gz RNROFRFCFUYAQH-NNYUYHANSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@H](O)[C@H](O)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000931622710 640292926 /nfs/dbraw/zinc/29/29/26/640292926.db2.gz RNROFRFCFUYAQH-WHOHXGKFSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@H](O)[C@H](O)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000931622710 640292918 /nfs/dbraw/zinc/29/29/18/640292918.db2.gz RNROFRFCFUYAQH-WHOHXGKFSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@H](O)[C@H](O)C[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000931622710 640292915 /nfs/dbraw/zinc/29/29/15/640292915.db2.gz RNROFRFCFUYAQH-WHOHXGKFSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@H](O)[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000931622710 640292910 /nfs/dbraw/zinc/29/29/10/640292910.db2.gz RNROFRFCFUYAQH-WHOHXGKFSA-N 2 2 228.336 -0.103 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931657350 640306754 /nfs/dbraw/zinc/30/67/54/640306754.db2.gz XCVNABWVYIEHFM-NXEZZACHSA-N 2 2 243.351 -0.587 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931657350 640306748 /nfs/dbraw/zinc/30/67/48/640306748.db2.gz XCVNABWVYIEHFM-NXEZZACHSA-N 2 2 243.351 -0.587 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931657381 640306212 /nfs/dbraw/zinc/30/62/12/640306212.db2.gz XCVNABWVYIEHFM-UWVGGRQHSA-N 2 2 243.351 -0.587 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931657381 640306202 /nfs/dbraw/zinc/30/62/02/640306202.db2.gz XCVNABWVYIEHFM-UWVGGRQHSA-N 2 2 243.351 -0.587 20 0 BBADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931657382 640306974 /nfs/dbraw/zinc/30/69/74/640306974.db2.gz XCVNABWVYIEHFM-VHSXEESVSA-N 2 2 243.351 -0.587 20 0 BBADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931657382 640306967 /nfs/dbraw/zinc/30/69/67/640306967.db2.gz XCVNABWVYIEHFM-VHSXEESVSA-N 2 2 243.351 -0.587 20 0 BBADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931657383 640308247 /nfs/dbraw/zinc/30/82/47/640308247.db2.gz XCVNABWVYIEHFM-ZJUUUORDSA-N 2 2 243.351 -0.587 20 0 BBADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931657383 640308246 /nfs/dbraw/zinc/30/82/46/640308246.db2.gz XCVNABWVYIEHFM-ZJUUUORDSA-N 2 2 243.351 -0.587 20 0 BBADLP CC1([NH+]2CCC2)CC[NH+](C[C@@H](O)CO)CC1 ZINC000931699288 635250009 /nfs/dbraw/zinc/25/00/09/635250009.db2.gz BSEWKSCHWYOTJR-LLVKDONJSA-N 2 2 228.336 -0.100 20 0 BBADLP CC1([NH+]2CCC2)CC[NH+](C[C@H](O)CO)CC1 ZINC000931699302 635249600 /nfs/dbraw/zinc/24/96/00/635249600.db2.gz BSEWKSCHWYOTJR-NSHDSACASA-N 2 2 228.336 -0.100 20 0 BBADLP C[C@H](O)[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931718644 640337407 /nfs/dbraw/zinc/33/74/07/640337407.db2.gz AZGFJOKHXQBRCK-USZNOCQGSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@H](O)[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931718644 640337405 /nfs/dbraw/zinc/33/74/05/640337405.db2.gz AZGFJOKHXQBRCK-USZNOCQGSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@H](O)[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931718644 640337396 /nfs/dbraw/zinc/33/73/96/640337396.db2.gz AZGFJOKHXQBRCK-USZNOCQGSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@H](O)[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931718644 640337393 /nfs/dbraw/zinc/33/73/93/640337393.db2.gz AZGFJOKHXQBRCK-USZNOCQGSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@H](O)[C@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931718645 640334709 /nfs/dbraw/zinc/33/47/09/640334709.db2.gz AZGFJOKHXQBRCK-WHOHXGKFSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@H](O)[C@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931718645 640334706 /nfs/dbraw/zinc/33/47/06/640334706.db2.gz AZGFJOKHXQBRCK-WHOHXGKFSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@H](O)[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931718645 640334703 /nfs/dbraw/zinc/33/47/03/640334703.db2.gz AZGFJOKHXQBRCK-WHOHXGKFSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@H](O)[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931718645 640334701 /nfs/dbraw/zinc/33/47/01/640334701.db2.gz AZGFJOKHXQBRCK-WHOHXGKFSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@@H](O)[C@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931718646 640333526 /nfs/dbraw/zinc/33/35/26/640333526.db2.gz AZGFJOKHXQBRCK-WISYIIOYSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@@H](O)[C@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931718646 640333519 /nfs/dbraw/zinc/33/35/19/640333519.db2.gz AZGFJOKHXQBRCK-WISYIIOYSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@@H](O)[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931718646 640333512 /nfs/dbraw/zinc/33/35/12/640333512.db2.gz AZGFJOKHXQBRCK-WISYIIOYSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@@H](O)[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931718646 640333504 /nfs/dbraw/zinc/33/35/04/640333504.db2.gz AZGFJOKHXQBRCK-WISYIIOYSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@@H](O)[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931718647 640336499 /nfs/dbraw/zinc/33/64/99/640336499.db2.gz AZGFJOKHXQBRCK-WYUUTHIRSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@@H](O)[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931718647 640336495 /nfs/dbraw/zinc/33/64/95/640336495.db2.gz AZGFJOKHXQBRCK-WYUUTHIRSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@@H](O)[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931718647 640336490 /nfs/dbraw/zinc/33/64/90/640336490.db2.gz AZGFJOKHXQBRCK-WYUUTHIRSA-N 2 2 228.336 -0.103 20 0 BBADLP C[C@@H](O)[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931718647 640336483 /nfs/dbraw/zinc/33/64/83/640336483.db2.gz AZGFJOKHXQBRCK-WYUUTHIRSA-N 2 2 228.336 -0.103 20 0 BBADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCn1cnnn1 ZINC000931719907 635272420 /nfs/dbraw/zinc/27/24/20/635272420.db2.gz PGTHTPYSEYPLBD-WDEREUQCSA-N 2 2 236.323 -0.158 20 0 BBADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCn1cnnn1 ZINC000931719907 635272413 /nfs/dbraw/zinc/27/24/13/635272413.db2.gz PGTHTPYSEYPLBD-WDEREUQCSA-N 2 2 236.323 -0.158 20 0 BBADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCn1cnnn1 ZINC000931719907 635272402 /nfs/dbraw/zinc/27/24/02/635272402.db2.gz PGTHTPYSEYPLBD-WDEREUQCSA-N 2 2 236.323 -0.158 20 0 BBADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCn1cnnn1 ZINC000931719907 635272394 /nfs/dbraw/zinc/27/23/94/635272394.db2.gz PGTHTPYSEYPLBD-WDEREUQCSA-N 2 2 236.323 -0.158 20 0 BBADLP C[NH+]1C[C@@H]2C[N@@H+](CCn3cnnn3)C[C@]2(C)C1 ZINC000933733303 631495270 /nfs/dbraw/zinc/49/52/70/631495270.db2.gz CAQWNHWMRYAOGX-MNOVXSKESA-N 2 2 236.323 -0.443 20 0 BBADLP C[NH+]1C[C@@H]2C[N@H+](CCn3cnnn3)C[C@]2(C)C1 ZINC000933733303 631495267 /nfs/dbraw/zinc/49/52/67/631495267.db2.gz CAQWNHWMRYAOGX-MNOVXSKESA-N 2 2 236.323 -0.443 20 0 BBADLP C[N@H+]1C[C@@H]2C[NH+](CCn3cnnn3)C[C@]2(C)C1 ZINC000933733303 631495260 /nfs/dbraw/zinc/49/52/60/631495260.db2.gz CAQWNHWMRYAOGX-MNOVXSKESA-N 2 2 236.323 -0.443 20 0 BBADLP C[N@@H+]1C[C@@H]2C[NH+](CCn3cnnn3)C[C@]2(C)C1 ZINC000933733303 631495257 /nfs/dbraw/zinc/49/52/57/631495257.db2.gz CAQWNHWMRYAOGX-MNOVXSKESA-N 2 2 236.323 -0.443 20 0 BBADLP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H]2CO)CC1 ZINC000934013981 631594994 /nfs/dbraw/zinc/59/49/94/631594994.db2.gz YLQUXOQXTIHWQG-LLVKDONJSA-N 2 2 241.335 -0.737 20 0 BBADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H]2CO)CC1 ZINC000934013981 631594988 /nfs/dbraw/zinc/59/49/88/631594988.db2.gz YLQUXOQXTIHWQG-LLVKDONJSA-N 2 2 241.335 -0.737 20 0 BBADLP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H]2CO)CC1 ZINC000934013982 631595870 /nfs/dbraw/zinc/59/58/70/631595870.db2.gz YLQUXOQXTIHWQG-NSHDSACASA-N 2 2 241.335 -0.737 20 0 BBADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H]2CO)CC1 ZINC000934013982 631595864 /nfs/dbraw/zinc/59/58/64/631595864.db2.gz YLQUXOQXTIHWQG-NSHDSACASA-N 2 2 241.335 -0.737 20 0 BBADLP OC[C@H]1CC[NH+]1CCC[N@@H+]1CC[C@@H]1CO ZINC000934015861 631609516 /nfs/dbraw/zinc/60/95/16/631609516.db2.gz HVRPJJHKDXEFGV-GHMZBOCLSA-N 2 2 214.309 -0.490 20 0 BBADLP OC[C@H]1CC[NH+]1CCC[N@H+]1CC[C@@H]1CO ZINC000934015861 631609513 /nfs/dbraw/zinc/60/95/13/631609513.db2.gz HVRPJJHKDXEFGV-GHMZBOCLSA-N 2 2 214.309 -0.490 20 0 BBADLP OC[C@@H]1CC[NH+]1CCC[N@@H+]1CC[C@H]1CO ZINC000934015863 631611838 /nfs/dbraw/zinc/61/18/38/631611838.db2.gz HVRPJJHKDXEFGV-QWRGUYRKSA-N 2 2 214.309 -0.490 20 0 BBADLP OC[C@@H]1CC[NH+]1CCC[N@H+]1CC[C@H]1CO ZINC000934015863 631611835 /nfs/dbraw/zinc/61/18/35/631611835.db2.gz HVRPJJHKDXEFGV-QWRGUYRKSA-N 2 2 214.309 -0.490 20 0 BBADLP C[C@H](CC[NH+]1CC[C@H]1CO)[N@H+]1CC[C@@H]1CO ZINC000934017997 631613697 /nfs/dbraw/zinc/61/36/97/631613697.db2.gz SFJJXPPKLQMWQW-GRYCIOLGSA-N 2 2 228.336 -0.102 20 0 BBADLP C[C@H](CC[NH+]1CC[C@H]1CO)[N@@H+]1CC[C@@H]1CO ZINC000934017997 631613688 /nfs/dbraw/zinc/61/36/88/631613688.db2.gz SFJJXPPKLQMWQW-GRYCIOLGSA-N 2 2 228.336 -0.102 20 0 BBADLP C[C@H](CC[N@H+]1CC[C@H]1CO)[NH+]1CC[C@@H]1CO ZINC000934017997 631613682 /nfs/dbraw/zinc/61/36/82/631613682.db2.gz SFJJXPPKLQMWQW-GRYCIOLGSA-N 2 2 228.336 -0.102 20 0 BBADLP C[C@H](CC[N@@H+]1CC[C@H]1CO)[NH+]1CC[C@@H]1CO ZINC000934017997 631613681 /nfs/dbraw/zinc/61/36/81/631613681.db2.gz SFJJXPPKLQMWQW-GRYCIOLGSA-N 2 2 228.336 -0.102 20 0 BBADLP C[C@H](CC[NH+]1CC[C@@H]1CO)[N@H+]1CC[C@@H]1CO ZINC000934017998 631614558 /nfs/dbraw/zinc/61/45/58/631614558.db2.gz SFJJXPPKLQMWQW-IJLUTSLNSA-N 2 2 228.336 -0.102 20 0 BBADLP C[C@H](CC[NH+]1CC[C@@H]1CO)[N@@H+]1CC[C@@H]1CO ZINC000934017998 631614552 /nfs/dbraw/zinc/61/45/52/631614552.db2.gz SFJJXPPKLQMWQW-IJLUTSLNSA-N 2 2 228.336 -0.102 20 0 BBADLP C[C@H](CC[N@H+]1CC[C@@H]1CO)[NH+]1CC[C@@H]1CO ZINC000934017998 631614547 /nfs/dbraw/zinc/61/45/47/631614547.db2.gz SFJJXPPKLQMWQW-IJLUTSLNSA-N 2 2 228.336 -0.102 20 0 BBADLP C[C@H](CC[N@@H+]1CC[C@@H]1CO)[NH+]1CC[C@@H]1CO ZINC000934017998 631614544 /nfs/dbraw/zinc/61/45/44/631614544.db2.gz SFJJXPPKLQMWQW-IJLUTSLNSA-N 2 2 228.336 -0.102 20 0 BBADLP C[C@H](CC[NH+]1CC[C@@H]1CO)[N@H+]1CC[C@H]1CO ZINC000934017999 631612933 /nfs/dbraw/zinc/61/29/33/631612933.db2.gz SFJJXPPKLQMWQW-UTUOFQBUSA-N 2 2 228.336 -0.102 20 0 BBADLP C[C@H](CC[NH+]1CC[C@@H]1CO)[N@@H+]1CC[C@H]1CO ZINC000934017999 631612929 /nfs/dbraw/zinc/61/29/29/631612929.db2.gz SFJJXPPKLQMWQW-UTUOFQBUSA-N 2 2 228.336 -0.102 20 0 BBADLP C[C@H](CC[N@H+]1CC[C@@H]1CO)[NH+]1CC[C@H]1CO ZINC000934017999 631612926 /nfs/dbraw/zinc/61/29/26/631612926.db2.gz SFJJXPPKLQMWQW-UTUOFQBUSA-N 2 2 228.336 -0.102 20 0 BBADLP C[C@H](CC[N@@H+]1CC[C@@H]1CO)[NH+]1CC[C@H]1CO ZINC000934017999 631612921 /nfs/dbraw/zinc/61/29/21/631612921.db2.gz SFJJXPPKLQMWQW-UTUOFQBUSA-N 2 2 228.336 -0.102 20 0 BBADLP C[C@H](CC[NH+]1CC[C@H]1CO)[N@H+]1CC[C@H]1CO ZINC000934018000 631615369 /nfs/dbraw/zinc/61/53/69/631615369.db2.gz SFJJXPPKLQMWQW-WOPDTQHZSA-N 2 2 228.336 -0.102 20 0 BBADLP C[C@H](CC[NH+]1CC[C@H]1CO)[N@@H+]1CC[C@H]1CO ZINC000934018000 631615362 /nfs/dbraw/zinc/61/53/62/631615362.db2.gz SFJJXPPKLQMWQW-WOPDTQHZSA-N 2 2 228.336 -0.102 20 0 BBADLP C[C@H](CC[N@H+]1CC[C@H]1CO)[NH+]1CC[C@H]1CO ZINC000934018000 631615356 /nfs/dbraw/zinc/61/53/56/631615356.db2.gz SFJJXPPKLQMWQW-WOPDTQHZSA-N 2 2 228.336 -0.102 20 0 BBADLP C[C@H](CC[N@@H+]1CC[C@H]1CO)[NH+]1CC[C@H]1CO ZINC000934018000 631615349 /nfs/dbraw/zinc/61/53/49/631615349.db2.gz SFJJXPPKLQMWQW-WOPDTQHZSA-N 2 2 228.336 -0.102 20 0 BBADLP OC[C@H]1CC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000934028754 631627713 /nfs/dbraw/zinc/62/77/13/631627713.db2.gz ZKLOIMINMUKZIX-GHMZBOCLSA-N 2 2 214.309 -0.490 20 0 BBADLP OC[C@H]1CC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000934028754 631627709 /nfs/dbraw/zinc/62/77/09/631627709.db2.gz ZKLOIMINMUKZIX-GHMZBOCLSA-N 2 2 214.309 -0.490 20 0 BBADLP OC[C@H]1CC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000934028755 631629583 /nfs/dbraw/zinc/62/95/83/631629583.db2.gz ZKLOIMINMUKZIX-MNOVXSKESA-N 2 2 214.309 -0.490 20 0 BBADLP OC[C@H]1CC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000934028755 631629578 /nfs/dbraw/zinc/62/95/78/631629578.db2.gz ZKLOIMINMUKZIX-MNOVXSKESA-N 2 2 214.309 -0.490 20 0 BBADLP OC[C@@H]1CC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000934028756 631630071 /nfs/dbraw/zinc/63/00/71/631630071.db2.gz ZKLOIMINMUKZIX-QWRGUYRKSA-N 2 2 214.309 -0.490 20 0 BBADLP OC[C@@H]1CC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000934028756 631630068 /nfs/dbraw/zinc/63/00/68/631630068.db2.gz ZKLOIMINMUKZIX-QWRGUYRKSA-N 2 2 214.309 -0.490 20 0 BBADLP OC[C@@H]1CC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000934028757 631628373 /nfs/dbraw/zinc/62/83/73/631628373.db2.gz ZKLOIMINMUKZIX-WDEREUQCSA-N 2 2 214.309 -0.490 20 0 BBADLP OC[C@@H]1CC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000934028757 631628370 /nfs/dbraw/zinc/62/83/70/631628370.db2.gz ZKLOIMINMUKZIX-WDEREUQCSA-N 2 2 214.309 -0.490 20 0 BBADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963015492 642739000 /nfs/dbraw/zinc/73/90/00/642739000.db2.gz HDTFSHAMTRRKMD-IAZYJMLFSA-N 2 2 234.303 -0.051 20 0 BBADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963015492 642738991 /nfs/dbraw/zinc/73/89/91/642738991.db2.gz HDTFSHAMTRRKMD-IAZYJMLFSA-N 2 2 234.303 -0.051 20 0 BBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000970105553 643299591 /nfs/dbraw/zinc/29/95/91/643299591.db2.gz OBTNLHYTJIWWDF-SECBINFHSA-N 2 2 238.291 -0.865 20 0 BBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000970341507 643417352 /nfs/dbraw/zinc/41/73/52/643417352.db2.gz OWIJDMNESCOFMT-SECBINFHSA-N 2 2 238.291 -0.865 20 0 BBADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000970857786 643577706 /nfs/dbraw/zinc/57/77/06/643577706.db2.gz ITORABGRTXYAHB-SNVBAGLBSA-N 2 2 238.291 -0.934 20 0 BBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCO)C1 ZINC001016395782 642954296 /nfs/dbraw/zinc/95/42/96/642954296.db2.gz ABBNXUMVHWCTEF-JTQLQIEISA-N 2 2 238.291 -0.934 20 0 BBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001016395786 642955344 /nfs/dbraw/zinc/95/53/44/642955344.db2.gz ABBNXUMVHWCTEF-SNVBAGLBSA-N 2 2 238.291 -0.934 20 0 BBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]CCO)C1 ZINC001019435842 643033551 /nfs/dbraw/zinc/03/35/51/643033551.db2.gz OBTNLHYTJIWWDF-VIFPVBQESA-N 2 2 238.291 -0.865 20 0 BBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+]CCO)C1 ZINC001019566041 643040105 /nfs/dbraw/zinc/04/01/05/643040105.db2.gz OWIJDMNESCOFMT-VIFPVBQESA-N 2 2 238.291 -0.865 20 0 BBADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+]CCO)C1 ZINC001019867758 643042768 /nfs/dbraw/zinc/04/27/68/643042768.db2.gz ITORABGRTXYAHB-JTQLQIEISA-N 2 2 238.291 -0.934 20 0 BBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020633427 643246685 /nfs/dbraw/zinc/24/66/85/643246685.db2.gz KJQPYFHVSJVMER-KYZUINATSA-N 2 2 238.291 -0.819 20 0 BBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020818811 711468037 /nfs/dbraw/zinc/46/80/37/711468037.db2.gz DYEJWEZVJHWPPC-KYZUINATSA-N 2 2 238.291 -0.819 20 0 BBADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001021128602 643405974 /nfs/dbraw/zinc/40/59/74/643405974.db2.gz KNYIEJFSBRDTCG-MGCOHNPYSA-N 2 2 238.291 -0.888 20 0 BBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022775176 711593111 /nfs/dbraw/zinc/59/31/11/711593111.db2.gz KJQPYFHVSJVMER-DTORHVGOSA-N 2 2 238.291 -0.819 20 0 BBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022889367 632032916 /nfs/dbraw/zinc/03/29/16/632032916.db2.gz DYEJWEZVJHWPPC-DTORHVGOSA-N 2 2 238.291 -0.819 20 0 BBADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001023160995 632404296 /nfs/dbraw/zinc/40/42/96/632404296.db2.gz KNYIEJFSBRDTCG-AOOOYVTPSA-N 2 2 238.291 -0.888 20 0 BBADLP C[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030153660 711827224 /nfs/dbraw/zinc/82/72/24/711827224.db2.gz CFUAQEJNMMDURZ-LLVKDONJSA-N 2 2 241.335 -0.737 20 0 BBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030153660 711827223 /nfs/dbraw/zinc/82/72/23/711827223.db2.gz CFUAQEJNMMDURZ-LLVKDONJSA-N 2 2 241.335 -0.737 20 0 BBADLP C[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030153663 640639385 /nfs/dbraw/zinc/63/93/85/640639385.db2.gz CFUAQEJNMMDURZ-NSHDSACASA-N 2 2 241.335 -0.737 20 0 BBADLP C[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030153663 640639380 /nfs/dbraw/zinc/63/93/80/640639380.db2.gz CFUAQEJNMMDURZ-NSHDSACASA-N 2 2 241.335 -0.737 20 0 BBADLP C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030162125 640645157 /nfs/dbraw/zinc/64/51/57/640645157.db2.gz SDUFZZZZSDDFHD-GXSJLCMTSA-N 2 2 241.335 -0.738 20 0 BBADLP C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030162125 640645150 /nfs/dbraw/zinc/64/51/50/640645150.db2.gz SDUFZZZZSDDFHD-GXSJLCMTSA-N 2 2 241.335 -0.738 20 0 BBADLP C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001030162126 640645982 /nfs/dbraw/zinc/64/59/82/640645982.db2.gz SDUFZZZZSDDFHD-KOLCDFICSA-N 2 2 241.335 -0.738 20 0 BBADLP C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001030162126 640645974 /nfs/dbraw/zinc/64/59/74/640645974.db2.gz SDUFZZZZSDDFHD-KOLCDFICSA-N 2 2 241.335 -0.738 20 0 BBADLP C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030162127 640645048 /nfs/dbraw/zinc/64/50/48/640645048.db2.gz SDUFZZZZSDDFHD-MWLCHTKSSA-N 2 2 241.335 -0.738 20 0 BBADLP C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030162127 640645045 /nfs/dbraw/zinc/64/50/45/640645045.db2.gz SDUFZZZZSDDFHD-MWLCHTKSSA-N 2 2 241.335 -0.738 20 0 BBADLP C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001030162128 640645902 /nfs/dbraw/zinc/64/59/02/640645902.db2.gz SDUFZZZZSDDFHD-ONGXEEELSA-N 2 2 241.335 -0.738 20 0 BBADLP C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001030162128 640645896 /nfs/dbraw/zinc/64/58/96/640645896.db2.gz SDUFZZZZSDDFHD-ONGXEEELSA-N 2 2 241.335 -0.738 20 0 BBADLP CC[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001030162390 640646274 /nfs/dbraw/zinc/64/62/74/640646274.db2.gz UCMUTSVGVGZMQM-JTQLQIEISA-N 2 2 211.309 -0.099 20 0 BBADLP CC[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001030162390 640646270 /nfs/dbraw/zinc/64/62/70/640646270.db2.gz UCMUTSVGVGZMQM-JTQLQIEISA-N 2 2 211.309 -0.099 20 0 BBADLP CC[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030162391 640644938 /nfs/dbraw/zinc/64/49/38/640644938.db2.gz UCMUTSVGVGZMQM-SNVBAGLBSA-N 2 2 211.309 -0.099 20 0 BBADLP CC[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030162391 640644935 /nfs/dbraw/zinc/64/49/35/640644935.db2.gz UCMUTSVGVGZMQM-SNVBAGLBSA-N 2 2 211.309 -0.099 20 0 BBADLP C[C@@H]1[C@H](C(=O)NC2C[NH+](CCO)C2)CC[N@H+]1C ZINC001030336778 640770979 /nfs/dbraw/zinc/77/09/79/640770979.db2.gz SFJLTCJURODXTA-MWLCHTKSSA-N 2 2 241.335 -0.881 20 0 BBADLP C[C@@H]1[C@H](C(=O)NC2C[NH+](CCO)C2)CC[N@@H+]1C ZINC001030336778 640770973 /nfs/dbraw/zinc/77/09/73/640770973.db2.gz SFJLTCJURODXTA-MWLCHTKSSA-N 2 2 241.335 -0.881 20 0 BBADLP C[NH+]1CCC(C(=O)NC2C[NH+](CCO)C2)CC1 ZINC001030893252 641407449 /nfs/dbraw/zinc/40/74/49/641407449.db2.gz ZOUCJTFMEYMVQI-UHFFFAOYSA-N 2 2 241.335 -0.879 20 0 BBADLP C[N@H+]1CC[C@@H](CC(=O)NC2C[NH+](CCO)C2)C1 ZINC001031259865 641867647 /nfs/dbraw/zinc/86/76/47/641867647.db2.gz HWOPCAATUUWEPN-JTQLQIEISA-N 2 2 241.335 -0.879 20 0 BBADLP C[N@@H+]1CC[C@@H](CC(=O)NC2C[NH+](CCO)C2)C1 ZINC001031259865 641867645 /nfs/dbraw/zinc/86/76/45/641867645.db2.gz HWOPCAATUUWEPN-JTQLQIEISA-N 2 2 241.335 -0.879 20 0 BBADLP C[N@H+]1CC[C@H](CC(=O)NC2C[NH+](CCO)C2)C1 ZINC001031259866 641867940 /nfs/dbraw/zinc/86/79/40/641867940.db2.gz HWOPCAATUUWEPN-SNVBAGLBSA-N 2 2 241.335 -0.879 20 0 BBADLP C[N@@H+]1CC[C@H](CC(=O)NC2C[NH+](CCO)C2)C1 ZINC001031259866 641867938 /nfs/dbraw/zinc/86/79/38/641867938.db2.gz HWOPCAATUUWEPN-SNVBAGLBSA-N 2 2 241.335 -0.879 20 0 BBADLP CC[NH+]1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001031263597 641869116 /nfs/dbraw/zinc/86/91/16/641869116.db2.gz RMQQLLXMRUWWFJ-UHFFFAOYSA-N 2 2 223.320 -0.098 20 0 BBADLP C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031381895 642041923 /nfs/dbraw/zinc/04/19/23/642041923.db2.gz CZQLGODOYFKIGL-NXEZZACHSA-N 2 2 241.335 -0.881 20 0 BBADLP C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001031381895 642041919 /nfs/dbraw/zinc/04/19/19/642041919.db2.gz CZQLGODOYFKIGL-NXEZZACHSA-N 2 2 241.335 -0.881 20 0 BBADLP C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001031381896 642042627 /nfs/dbraw/zinc/04/26/27/642042627.db2.gz CZQLGODOYFKIGL-UWVGGRQHSA-N 2 2 241.335 -0.881 20 0 BBADLP C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001031381896 642042623 /nfs/dbraw/zinc/04/26/23/642042623.db2.gz CZQLGODOYFKIGL-UWVGGRQHSA-N 2 2 241.335 -0.881 20 0 BBADLP C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031381897 642043499 /nfs/dbraw/zinc/04/34/99/642043499.db2.gz CZQLGODOYFKIGL-VHSXEESVSA-N 2 2 241.335 -0.881 20 0 BBADLP C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001031381897 642043495 /nfs/dbraw/zinc/04/34/95/642043495.db2.gz CZQLGODOYFKIGL-VHSXEESVSA-N 2 2 241.335 -0.881 20 0 BBADLP C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001031381898 642041906 /nfs/dbraw/zinc/04/19/06/642041906.db2.gz CZQLGODOYFKIGL-ZJUUUORDSA-N 2 2 241.335 -0.881 20 0 BBADLP C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001031381898 642041901 /nfs/dbraw/zinc/04/19/01/642041901.db2.gz CZQLGODOYFKIGL-ZJUUUORDSA-N 2 2 241.335 -0.881 20 0 BBADLP C[N@H+]1CC[C@H](C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001031382818 642042014 /nfs/dbraw/zinc/04/20/14/642042014.db2.gz AHARJEYIKQDYDO-JTQLQIEISA-N 2 2 241.335 -0.879 20 0 BBADLP C[N@@H+]1CC[C@H](C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001031382818 642042011 /nfs/dbraw/zinc/04/20/11/642042011.db2.gz AHARJEYIKQDYDO-JTQLQIEISA-N 2 2 241.335 -0.879 20 0 BBADLP C[N@H+]1CC[C@@H](C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001031382819 642042994 /nfs/dbraw/zinc/04/29/94/642042994.db2.gz AHARJEYIKQDYDO-SNVBAGLBSA-N 2 2 241.335 -0.879 20 0 BBADLP C[N@@H+]1CC[C@@H](C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001031382819 642042991 /nfs/dbraw/zinc/04/29/91/642042991.db2.gz AHARJEYIKQDYDO-SNVBAGLBSA-N 2 2 241.335 -0.879 20 0 BBADLP COCC[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001031384220 642049111 /nfs/dbraw/zinc/04/91/11/642049111.db2.gz CCPSMWQMPZQLLV-JTQLQIEISA-N 2 2 241.335 -0.615 20 0 BBADLP COCC[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001031384220 642049104 /nfs/dbraw/zinc/04/91/04/642049104.db2.gz CCPSMWQMPZQLLV-JTQLQIEISA-N 2 2 241.335 -0.615 20 0 BBADLP COCC[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031384221 642050085 /nfs/dbraw/zinc/05/00/85/642050085.db2.gz CCPSMWQMPZQLLV-SNVBAGLBSA-N 2 2 241.335 -0.615 20 0 BBADLP COCC[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001031384221 642050081 /nfs/dbraw/zinc/05/00/81/642050081.db2.gz CCPSMWQMPZQLLV-SNVBAGLBSA-N 2 2 241.335 -0.615 20 0 BBADLP CC[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031385103 642050068 /nfs/dbraw/zinc/05/00/68/642050068.db2.gz UQHBYCKZMZWVQN-SECBINFHSA-N 2 2 211.309 -0.242 20 0 BBADLP CC[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001031385103 642050066 /nfs/dbraw/zinc/05/00/66/642050066.db2.gz UQHBYCKZMZWVQN-SECBINFHSA-N 2 2 211.309 -0.242 20 0 BBADLP CC[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001031385104 642049917 /nfs/dbraw/zinc/04/99/17/642049917.db2.gz UQHBYCKZMZWVQN-VIFPVBQESA-N 2 2 211.309 -0.242 20 0 BBADLP CC[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001031385104 642049914 /nfs/dbraw/zinc/04/99/14/642049914.db2.gz UQHBYCKZMZWVQN-VIFPVBQESA-N 2 2 211.309 -0.242 20 0 BBADLP C[C@H](O)C[NH+]1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001031389104 642054445 /nfs/dbraw/zinc/05/44/45/642054445.db2.gz AYFGZJRZYZZHHU-JTQLQIEISA-N 2 2 241.335 -0.737 20 0 BBADLP C[C@@H](O)C[NH+]1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001031389105 642055299 /nfs/dbraw/zinc/05/52/99/642055299.db2.gz AYFGZJRZYZZHHU-SNVBAGLBSA-N 2 2 241.335 -0.737 20 0 BBADLP CC[NH+]1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001031389778 642054266 /nfs/dbraw/zinc/05/42/66/642054266.db2.gz ATMWMSZXVPAESG-UHFFFAOYSA-N 2 2 211.309 -0.098 20 0 BBADLP O=C(C[NH+]1CCCC1)NC1C[NH+](CCCO)C1 ZINC001031390967 642057224 /nfs/dbraw/zinc/05/72/24/642057224.db2.gz XOLZATQLQZKDEE-UHFFFAOYSA-N 2 2 241.335 -0.735 20 0 BBADLP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCF)C2)C1 ZINC001032186760 643281911 /nfs/dbraw/zinc/28/19/11/643281911.db2.gz WCLYBLDCGBMJOJ-LLVKDONJSA-N 2 2 243.326 -0.044 20 0 BBADLP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCF)C2)C1 ZINC001032186760 643281900 /nfs/dbraw/zinc/28/19/00/643281900.db2.gz WCLYBLDCGBMJOJ-LLVKDONJSA-N 2 2 243.326 -0.044 20 0 BBADLP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](CCF)C2)C1 ZINC001032186761 643282689 /nfs/dbraw/zinc/28/26/89/643282689.db2.gz WCLYBLDCGBMJOJ-NSHDSACASA-N 2 2 243.326 -0.044 20 0 BBADLP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](CCF)C2)C1 ZINC001032186761 643282687 /nfs/dbraw/zinc/28/26/87/643282687.db2.gz WCLYBLDCGBMJOJ-NSHDSACASA-N 2 2 243.326 -0.044 20 0 BBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCO ZINC001038116318 711800479 /nfs/dbraw/zinc/80/04/79/711800479.db2.gz LCNQICVSINLWMS-GHMZBOCLSA-N 2 2 241.335 -0.737 20 0 BBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCO ZINC001038116318 711800478 /nfs/dbraw/zinc/80/04/78/711800478.db2.gz LCNQICVSINLWMS-GHMZBOCLSA-N 2 2 241.335 -0.737 20 0 BBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCO ZINC001038116318 711800476 /nfs/dbraw/zinc/80/04/76/711800476.db2.gz LCNQICVSINLWMS-GHMZBOCLSA-N 2 2 241.335 -0.737 20 0 BBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCO ZINC001038116318 711800475 /nfs/dbraw/zinc/80/04/75/711800475.db2.gz LCNQICVSINLWMS-GHMZBOCLSA-N 2 2 241.335 -0.737 20 0 BBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCO ZINC001038116321 711800580 /nfs/dbraw/zinc/80/05/80/711800580.db2.gz LCNQICVSINLWMS-MNOVXSKESA-N 2 2 241.335 -0.737 20 0 BBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCO ZINC001038116321 711800579 /nfs/dbraw/zinc/80/05/79/711800579.db2.gz LCNQICVSINLWMS-MNOVXSKESA-N 2 2 241.335 -0.737 20 0 BBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCO ZINC001038116321 711800577 /nfs/dbraw/zinc/80/05/77/711800577.db2.gz LCNQICVSINLWMS-MNOVXSKESA-N 2 2 241.335 -0.737 20 0 BBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCO ZINC001038116321 711800575 /nfs/dbraw/zinc/80/05/75/711800575.db2.gz LCNQICVSINLWMS-MNOVXSKESA-N 2 2 241.335 -0.737 20 0 BBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCO ZINC001038116325 711800534 /nfs/dbraw/zinc/80/05/34/711800534.db2.gz LCNQICVSINLWMS-QWRGUYRKSA-N 2 2 241.335 -0.737 20 0 BBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCO ZINC001038116325 711800533 /nfs/dbraw/zinc/80/05/33/711800533.db2.gz LCNQICVSINLWMS-QWRGUYRKSA-N 2 2 241.335 -0.737 20 0 BBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCO ZINC001038116325 711800532 /nfs/dbraw/zinc/80/05/32/711800532.db2.gz LCNQICVSINLWMS-QWRGUYRKSA-N 2 2 241.335 -0.737 20 0 BBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCO ZINC001038116325 711800531 /nfs/dbraw/zinc/80/05/31/711800531.db2.gz LCNQICVSINLWMS-QWRGUYRKSA-N 2 2 241.335 -0.737 20 0 BBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCO ZINC001038116329 711800466 /nfs/dbraw/zinc/80/04/66/711800466.db2.gz LCNQICVSINLWMS-WDEREUQCSA-N 2 2 241.335 -0.737 20 0 BBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCO ZINC001038116329 711800465 /nfs/dbraw/zinc/80/04/65/711800465.db2.gz LCNQICVSINLWMS-WDEREUQCSA-N 2 2 241.335 -0.737 20 0 BBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCO ZINC001038116329 711800464 /nfs/dbraw/zinc/80/04/64/711800464.db2.gz LCNQICVSINLWMS-WDEREUQCSA-N 2 2 241.335 -0.737 20 0 BBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCO ZINC001038116329 711800463 /nfs/dbraw/zinc/80/04/63/711800463.db2.gz LCNQICVSINLWMS-WDEREUQCSA-N 2 2 241.335 -0.737 20 0 BBADLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](CCO)C1 ZINC001044290252 710822920 /nfs/dbraw/zinc/82/29/20/710822920.db2.gz OMZMQVLPLAJIIW-JTQLQIEISA-N 2 2 241.335 -0.927 20 0 BBADLP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](CCO)C1 ZINC001044290252 710822917 /nfs/dbraw/zinc/82/29/17/710822917.db2.gz OMZMQVLPLAJIIW-JTQLQIEISA-N 2 2 241.335 -0.927 20 0 BBADLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](CCO)C1 ZINC001044290253 710822823 /nfs/dbraw/zinc/82/28/23/710822823.db2.gz OMZMQVLPLAJIIW-SNVBAGLBSA-N 2 2 241.335 -0.927 20 0 BBADLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCO)C1 ZINC001044290253 710822821 /nfs/dbraw/zinc/82/28/21/710822821.db2.gz OMZMQVLPLAJIIW-SNVBAGLBSA-N 2 2 241.335 -0.927 20 0 BBADLP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001076805815 711809094 /nfs/dbraw/zinc/80/90/94/711809094.db2.gz WPUUVGGRKGMQHL-GMTAPVOTSA-N 2 2 241.335 -0.738 20 0 BBADLP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001076805815 711809093 /nfs/dbraw/zinc/80/90/93/711809093.db2.gz WPUUVGGRKGMQHL-GMTAPVOTSA-N 2 2 241.335 -0.738 20 0 BBADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001076805815 711809091 /nfs/dbraw/zinc/80/90/91/711809091.db2.gz WPUUVGGRKGMQHL-GMTAPVOTSA-N 2 2 241.335 -0.738 20 0 BBADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001076805815 711809090 /nfs/dbraw/zinc/80/90/90/711809090.db2.gz WPUUVGGRKGMQHL-GMTAPVOTSA-N 2 2 241.335 -0.738 20 0 BBADLP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001076805820 711809114 /nfs/dbraw/zinc/80/91/14/711809114.db2.gz WPUUVGGRKGMQHL-OUAUKWLOSA-N 2 2 241.335 -0.738 20 0 BBADLP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001076805820 711809113 /nfs/dbraw/zinc/80/91/13/711809113.db2.gz WPUUVGGRKGMQHL-OUAUKWLOSA-N 2 2 241.335 -0.738 20 0 BBADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001076805820 711809112 /nfs/dbraw/zinc/80/91/12/711809112.db2.gz WPUUVGGRKGMQHL-OUAUKWLOSA-N 2 2 241.335 -0.738 20 0 BBADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001076805820 711809111 /nfs/dbraw/zinc/80/91/11/711809111.db2.gz WPUUVGGRKGMQHL-OUAUKWLOSA-N 2 2 241.335 -0.738 20 0 BBADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078271971 711941091 /nfs/dbraw/zinc/94/10/91/711941091.db2.gz ANHKGZVPWYQNNH-NXEZZACHSA-N 2 2 238.291 -0.936 20 0 BBADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078271971 711941090 /nfs/dbraw/zinc/94/10/90/711941090.db2.gz ANHKGZVPWYQNNH-NXEZZACHSA-N 2 2 238.291 -0.936 20 0 BBADLP C[N@H+]1CCO[C@H]2CN(c3cc(N)[nH+]cn3)C[C@H]21 ZINC001164672400 719428896 /nfs/dbraw/zinc/42/88/96/719428896.db2.gz RHAFOSZVJDGEOH-BDAKNGLRSA-N 2 2 235.291 -0.422 20 0 BBADLP C[N@@H+]1CCO[C@H]2CN(c3cc(N)[nH+]cn3)C[C@H]21 ZINC001164672400 719428890 /nfs/dbraw/zinc/42/88/90/719428890.db2.gz RHAFOSZVJDGEOH-BDAKNGLRSA-N 2 2 235.291 -0.422 20 0 BBADLP C[N@H+]1CCO[C@@H]2CN(c3cc(N)[nH+]cn3)C[C@@H]21 ZINC001164672402 719430488 /nfs/dbraw/zinc/43/04/88/719430488.db2.gz RHAFOSZVJDGEOH-DTWKUNHWSA-N 2 2 235.291 -0.422 20 0 BBADLP C[N@@H+]1CCO[C@@H]2CN(c3cc(N)[nH+]cn3)C[C@@H]21 ZINC001164672402 719430485 /nfs/dbraw/zinc/43/04/85/719430485.db2.gz RHAFOSZVJDGEOH-DTWKUNHWSA-N 2 2 235.291 -0.422 20 0 BBADLP C[N@H+]1CCO[C@H]2CN(c3cc(N)[nH+]cn3)C[C@@H]21 ZINC001164672403 719429346 /nfs/dbraw/zinc/42/93/46/719429346.db2.gz RHAFOSZVJDGEOH-IUCAKERBSA-N 2 2 235.291 -0.422 20 0 BBADLP C[N@@H+]1CCO[C@H]2CN(c3cc(N)[nH+]cn3)C[C@@H]21 ZINC001164672403 719429336 /nfs/dbraw/zinc/42/93/36/719429336.db2.gz RHAFOSZVJDGEOH-IUCAKERBSA-N 2 2 235.291 -0.422 20 0 BBADLP C[N@H+]1CCO[C@@H]2CN(c3cc(N)[nH+]cn3)C[C@H]21 ZINC001164672404 719429764 /nfs/dbraw/zinc/42/97/64/719429764.db2.gz RHAFOSZVJDGEOH-RKDXNWHRSA-N 2 2 235.291 -0.422 20 0 BBADLP C[N@@H+]1CCO[C@@H]2CN(c3cc(N)[nH+]cn3)C[C@H]21 ZINC001164672404 719429760 /nfs/dbraw/zinc/42/97/60/719429760.db2.gz RHAFOSZVJDGEOH-RKDXNWHRSA-N 2 2 235.291 -0.422 20 0 BBADLP