smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCC[N@H+]1CC[C@@](C)([NH3+])C1 405707796 757214061 /nfs/dbraw/zinc/21/40/61/757214061.db2.gz DEOSAVIVNZGCGE-GFCCVEGCSA-N 2 1 198.354 2.380 10 30 AEEEMP CCCCCCC[N@H+]1CC[C@](C)([NH3+])C1 405707798 757216018 /nfs/dbraw/zinc/21/60/18/757216018.db2.gz DEOSAVIVNZGCGE-LBPRGKRZSA-N 2 1 198.354 2.380 10 30 AEEEMP C=CCCCCC[N@@H+]1CC[C@@](C)([NH3+])C1 405761007 757221018 /nfs/dbraw/zinc/22/10/18/757221018.db2.gz VUCUDWVLHARUEO-GFCCVEGCSA-N 2 1 196.338 2.156 10 30 AEEEMP C=CCCCCC[N@@H+]1CC[C@](C)([NH3+])C1 405761009 757225877 /nfs/dbraw/zinc/22/58/77/757225877.db2.gz VUCUDWVLHARUEO-LBPRGKRZSA-N 2 1 196.338 2.156 10 30 AEEEMP C=CCCC[N@H+](C)C[C@@H]([NH3+])CCCC 220267698 572224958 /nfs/dbraw/zinc/22/49/58/572224958.db2.gz BNNQBKLZLUDWTQ-LBPRGKRZSA-N 2 1 198.354 2.402 10 30 AEEEMP C=C1CCC[N@@H+](CCC[NH2+]CCC)C1 688690510 572798112 /nfs/dbraw/zinc/79/81/12/572798112.db2.gz TUCNDMUVZLXCQG-UHFFFAOYSA-N 2 1 196.338 2.028 10 30 AEEEMP C=C1CCC[N@H+](CCC[NH2+]CCC)C1 688690510 572798116 /nfs/dbraw/zinc/79/81/16/572798116.db2.gz TUCNDMUVZLXCQG-UHFFFAOYSA-N 2 1 196.338 2.028 10 30 AEEEMP C=CC[N@H+](CC(C)(C)CC[NH3+])C1CC1 308474839 573011453 /nfs/dbraw/zinc/01/14/53/573011453.db2.gz KPQPXHMXWHZQLL-UHFFFAOYSA-N 2 1 196.338 2.012 10 30 AEEEMP C=CC[N@H+](CC[C@H]([NH3+])CCC)C1CC1 128680864 573089804 /nfs/dbraw/zinc/08/98/04/573089804.db2.gz OMMITTNSYHDKCP-LLVKDONJSA-N 2 1 196.338 2.154 10 30 AEEEMP C=C(C[NH3+])C[N@H+]1C[C@@H](CC)CC[C@H]1C 308502753 573146716 /nfs/dbraw/zinc/14/67/16/573146716.db2.gz XHKWWXUGFFOROL-NEPJUHHUSA-N 2 1 196.338 2.012 10 30 AEEEMP C=CC[N@H+](CC)[C@@H](C)CCC[NH2+]CC 132027598 573189008 /nfs/dbraw/zinc/18/90/08/573189008.db2.gz SMTASKJXYZQLHJ-LBPRGKRZSA-N 2 1 198.354 2.273 10 30 AEEEMP C=CC[N@H+](CCC)[C@@H](C)CC[NH2+]CC 132078877 573204706 /nfs/dbraw/zinc/20/47/06/573204706.db2.gz ANXXGTHTQASPTM-LBPRGKRZSA-N 2 1 198.354 2.273 10 30 AEEEMP C=CC[N@@H+](C(C)C)[C@@H](C)[C@@H](C)C[NH2+]C 132103903 573214517 /nfs/dbraw/zinc/21/45/17/573214517.db2.gz SRTGJSPYLSGGBY-RYUDHWBXSA-N 2 1 198.354 2.127 10 30 AEEEMP C=CC[N@H+](CCCC[NH2+]CC)C1CC1 132121954 573220786 /nfs/dbraw/zinc/22/07/86/573220786.db2.gz ZMIXGJVWAADWAK-UHFFFAOYSA-N 2 1 196.338 2.027 10 30 AEEEMP C=CCC[N@H+](C)C[C@@H](C)C[NH2+]CCC 308519468 573227782 /nfs/dbraw/zinc/22/77/82/573227782.db2.gz GZQPBUCLARTVSP-LBPRGKRZSA-N 2 1 198.354 2.130 10 30 AEEEMP C=C(C[NH3+])C[C@@H]1CCC[N@H+](C(C)C)C1 258239810 573227853 /nfs/dbraw/zinc/22/78/53/573227853.db2.gz PZAXQMPCSBOTHD-LBPRGKRZSA-N 2 1 196.338 2.012 10 30 AEEEMP C=CCC[N@H+](C)C[C@@H]1CCC[C@@H]([NH3+])C1 308527932 573235058 /nfs/dbraw/zinc/23/50/58/573235058.db2.gz JJHAKABDQGXIIQ-VXGBXAGGSA-N 2 1 196.338 2.012 10 30 AEEEMP C=CCC[N@H+](C)C[C@@H]1CCC[C@H]([NH3+])C1 308527926 573235293 /nfs/dbraw/zinc/23/52/93/573235293.db2.gz JJHAKABDQGXIIQ-NEPJUHHUSA-N 2 1 196.338 2.012 10 30 AEEEMP C=CCC[N@H+](C)C[C@H]1CCC[C@H]([NH3+])C1 308527930 573236023 /nfs/dbraw/zinc/23/60/23/573236023.db2.gz JJHAKABDQGXIIQ-RYUDHWBXSA-N 2 1 196.338 2.012 10 30 AEEEMP C=CC[N@@H+]([C@@H]1CC[C@@H]1C[NH3+])C(C)(C)C 132171824 573240631 /nfs/dbraw/zinc/24/06/31/573240631.db2.gz KOMXSCTXXFIRIL-GHMZBOCLSA-N 2 1 196.338 2.010 10 30 AEEEMP C=C(C)C[N@@H+](CC)CC[C@H]([NH3+])C(C)C 129208058 573261367 /nfs/dbraw/zinc/26/13/67/573261367.db2.gz KNRGGYCTKVBFFD-LBPRGKRZSA-N 2 1 198.354 2.258 10 30 AEEEMP C[NH2+]CCC/[NH+]=C(/C)CC(C)C 238329025 573270745 /nfs/dbraw/zinc/27/07/45/573270745.db2.gz AANZPYCMXSFLJX-BENRWUELSA-N 2 1 170.300 2.103 10 30 AEEEMP C=C[C@H](C)[NH+]1CCC([NH2+]C(C)C)CC1 308535688 573270971 /nfs/dbraw/zinc/27/09/71/573270971.db2.gz SNAGJXGGZZKFJZ-NSHDSACASA-N 2 1 196.338 2.023 10 30 AEEEMP C=CCC[N@@H+](C)[C@H](C)C[NH2+]C(C)(C)C 308550468 573328180 /nfs/dbraw/zinc/32/81/80/573328180.db2.gz PURBYHUPGNJEKJ-LLVKDONJSA-N 2 1 198.354 2.271 10 30 AEEEMP C=CCC[N@H+](C)[C@H](C)C[NH2+]C(C)(C)C 308550468 573328185 /nfs/dbraw/zinc/32/81/85/573328185.db2.gz PURBYHUPGNJEKJ-LLVKDONJSA-N 2 1 198.354 2.271 10 30 AEEEMP C=CCCCCCC[NH2+][C@@H]1CC[NH2+]C1 308560851 573337377 /nfs/dbraw/zinc/33/73/77/573337377.db2.gz XEDRKLZQUGQWEV-GFCCVEGCSA-N 2 1 196.338 2.074 10 30 AEEEMP C=CCCC[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 308560377 573337398 /nfs/dbraw/zinc/33/73/98/573337398.db2.gz VPALNIQANJSVJO-NSHDSACASA-N 2 1 196.338 2.012 10 30 AEEEMP C=CCC[N@@H+](C)CCCCCCC[NH3+] 308558079 573347055 /nfs/dbraw/zinc/34/70/55/573347055.db2.gz UHUIRTUZUKCFSF-UHFFFAOYSA-N 2 1 198.354 2.404 10 30 AEEEMP C=CCC[N@H+](C)C[C@H](C)C[NH2+]C(C)C 308558501 573350562 /nfs/dbraw/zinc/35/05/62/573350562.db2.gz UQSVPIYSNWGZTC-GFCCVEGCSA-N 2 1 198.354 2.128 10 30 AEEEMP C=CC[N@H+](CC[C@@H](C)CC[NH3+])C1CC1 393388931 571707185 /nfs/dbraw/zinc/70/71/85/571707185.db2.gz PJRHNSHPBDNQJR-NSHDSACASA-N 2 1 196.338 2.012 10 30 AEEEMP C=CC[N@H+](CC[C@H](C)CC[NH3+])C(C)C 393449842 572000677 /nfs/dbraw/zinc/00/06/77/572000677.db2.gz KQZJJGWEBKHASL-GFCCVEGCSA-N 2 1 198.354 2.258 10 30 AEEEMP C=CC[N@H+](CC[C@@H](C)CC[NH3+])C(C)C 393449844 572001041 /nfs/dbraw/zinc/00/10/41/572001041.db2.gz KQZJJGWEBKHASL-LBPRGKRZSA-N 2 1 198.354 2.258 10 30 AEEEMP C=CC[N@@H+](C)CC[C@H]1CCCC[C@H]1[NH3+] 308596859 573481673 /nfs/dbraw/zinc/48/16/73/573481673.db2.gz ZETPYTWZGVHGHD-VXGBXAGGSA-N 2 1 196.338 2.012 10 30 AEEEMP C=CCC[N@@H+](C)C[C@@H]([NH3+])C[C@@H](C)CC 400895995 572055648 /nfs/dbraw/zinc/05/56/48/572055648.db2.gz JCAHVSAVMIUVPU-RYUDHWBXSA-N 2 1 198.354 2.258 10 30 AEEEMP C=CCC[N@H+](C)C[C@@H]([NH3+])C[C@@H](C)CC 400895995 572055649 /nfs/dbraw/zinc/05/56/49/572055649.db2.gz JCAHVSAVMIUVPU-RYUDHWBXSA-N 2 1 198.354 2.258 10 30 AEEEMP C=CC[C@@H](C)[NH2+][C@H](C)C[NH+](CC)CC 308628422 573549403 /nfs/dbraw/zinc/54/94/03/573549403.db2.gz XXIIKSUWXANYEZ-VXGBXAGGSA-N 2 1 198.354 2.271 10 30 AEEEMP C=CC[C@@H](C)n1c[nH+]cc1[C@@H](C)C[NH3+] 308622710 573563600 /nfs/dbraw/zinc/56/36/00/573563600.db2.gz XICVRWQVKBYVMI-VHSXEESVSA-N 2 1 193.294 2.082 10 30 AEEEMP C=C[C@H](C)[NH2+]C(C)(C)C[NH+]1CCCC1 308635962 573576672 /nfs/dbraw/zinc/57/66/72/573576672.db2.gz PSVWVYCDNLMRLD-NSHDSACASA-N 2 1 196.338 2.025 10 30 AEEEMP CCCCCCCCC[NH2+]CC[NH3+] 59188655 572966721 /nfs/dbraw/zinc/96/67/21/572966721.db2.gz PWAUOQIGMNDGGD-UHFFFAOYSA-N 2 1 186.343 2.285 10 30 AEEEMP C=CC[N@@H+]1CC[C@H](CC[NH3+])CC1(C)C 259323913 573081330 /nfs/dbraw/zinc/08/13/30/573081330.db2.gz IOKSXKYIIPIOLJ-NSHDSACASA-N 2 1 196.338 2.012 10 30 AEEEMP C=CC[N@H+](CC)CC[C@@H]([NH3+])CCC 128679208 573088297 /nfs/dbraw/zinc/08/82/97/573088297.db2.gz WYRHSMFLHKTNJD-NSHDSACASA-N 2 1 184.327 2.012 10 30 AEEEMP C=CC[N@H+](C)C[C@@H](C)C[NH2+]C(C)(C)C 131990760 573137623 /nfs/dbraw/zinc/13/76/23/573137623.db2.gz OZHAWVGMQQPKNZ-NSHDSACASA-N 2 1 198.354 2.128 10 30 AEEEMP C=CC[N@H+](C)[C@H](C)CC[NH2+]C(C)(C)C 131981332 573137799 /nfs/dbraw/zinc/13/77/99/573137799.db2.gz RPWBPTWKBZWUHT-LLVKDONJSA-N 2 1 198.354 2.271 10 30 AEEEMP C=CC[N@H+](CCC[NH2+]CCC)C1CC1 132128343 573222607 /nfs/dbraw/zinc/22/26/07/573222607.db2.gz UFIZNYHCYUPCAX-UHFFFAOYSA-N 2 1 196.338 2.027 10 30 AEEEMP C=CC[N@@H+](C1CC1)[C@H](C)CC[NH2+]CC 132146428 573228833 /nfs/dbraw/zinc/22/88/33/573228833.db2.gz NHSARPAWJAPXAH-LLVKDONJSA-N 2 1 196.338 2.025 10 30 AEEEMP C=CCC[N@@H+](C)C[C@@H]1CCCCC[NH2+]1 308536194 573277533 /nfs/dbraw/zinc/27/75/33/573277533.db2.gz LIPANBWBNSPNGE-LBPRGKRZSA-N 2 1 196.338 2.027 10 30 AEEEMP C=CCC[N@H+](C)C[C@@H]1CCCCC[NH2+]1 308536194 573277541 /nfs/dbraw/zinc/27/75/41/573277541.db2.gz LIPANBWBNSPNGE-LBPRGKRZSA-N 2 1 196.338 2.027 10 30 AEEEMP C=CCC[N@@H+](C)C[C@H]1CCCCC[NH2+]1 308536187 573277686 /nfs/dbraw/zinc/27/76/86/573277686.db2.gz LIPANBWBNSPNGE-GFCCVEGCSA-N 2 1 196.338 2.027 10 30 AEEEMP C=CCC[N@H+](C)C[C@H]1CCCCC[NH2+]1 308536187 573277693 /nfs/dbraw/zinc/27/76/93/573277693.db2.gz LIPANBWBNSPNGE-GFCCVEGCSA-N 2 1 196.338 2.027 10 30 AEEEMP C=CCC[N@@H+](C)[C@@H](CC)C[NH2+]C(C)C 308546937 573312202 /nfs/dbraw/zinc/31/22/02/573312202.db2.gz OIHIIDUHVCTQHR-LBPRGKRZSA-N 2 1 198.354 2.271 10 30 AEEEMP C=CCC[N@H+](C)[C@@H](CC)C[NH2+]C(C)C 308546937 573312206 /nfs/dbraw/zinc/31/22/06/573312206.db2.gz OIHIIDUHVCTQHR-LBPRGKRZSA-N 2 1 198.354 2.271 10 30 AEEEMP C=CCCC[NH2+][C@@H]1CCC[N@H+](C)CC1 308546040 573312452 /nfs/dbraw/zinc/31/24/52/573312452.db2.gz NYWWQSMNZRFDGL-GFCCVEGCSA-N 2 1 196.338 2.027 10 30 AEEEMP C=C(CC[NH3+])C[C@@H]1CCC[N@@H+]1C(C)C 258299711 573360871 /nfs/dbraw/zinc/36/08/71/573360871.db2.gz URWVGHOITBNGLP-LBPRGKRZSA-N 2 1 196.338 2.154 10 30 AEEEMP C=C(CC[NH3+])[C@@H]1CCCC[N@@H+]1C(C)C 258360613 573454010 /nfs/dbraw/zinc/45/40/10/573454010.db2.gz ZFNHKJYLWCKUHX-LBPRGKRZSA-N 2 1 196.338 2.154 10 30 AEEEMP C=C(CC[NH2+]C)C[C@H]1CCC[N@@H+]1CC 258357428 573467442 /nfs/dbraw/zinc/46/74/42/573467442.db2.gz YZMFPKDQIOXBDN-GFCCVEGCSA-N 2 1 196.338 2.027 10 30 AEEEMP C=CC[N@@H+](C)CC[C@@H]1CCCC[C@H]1[NH3+] 308596857 573483535 /nfs/dbraw/zinc/48/35/35/573483535.db2.gz ZETPYTWZGVHGHD-NWDGAFQWSA-N 2 1 196.338 2.012 10 30 AEEEMP C=C(CC[NH3+])C[C@@H]1CCCC[N@@H+]1CC 258049063 573505337 /nfs/dbraw/zinc/50/53/37/573505337.db2.gz CYLZSLKMOAKVIR-LBPRGKRZSA-N 2 1 196.338 2.156 10 30 AEEEMP C=CCCC[N@@H+]1CCCC[C@@H](C[NH3+])C1 308642698 573614417 /nfs/dbraw/zinc/61/44/17/573614417.db2.gz DYRXOFGCWBOWRV-LBPRGKRZSA-N 2 1 196.338 2.013 10 30 AEEEMP C=CCCC[N@@H+]1CCCC[C@H](C[NH3+])C1 308642696 573616220 /nfs/dbraw/zinc/61/62/20/573616220.db2.gz DYRXOFGCWBOWRV-GFCCVEGCSA-N 2 1 196.338 2.013 10 30 AEEEMP C=C(C[NH3+])C[N@H+]1C[C@@H](CC)CC[C@@H]1C 308502757 573658427 /nfs/dbraw/zinc/65/84/27/573658427.db2.gz XHKWWXUGFFOROL-RYUDHWBXSA-N 2 1 196.338 2.012 10 30 AEEEMP C=C[C@H](C)[NH2+][C@@H](C)CC[N@@H+](C)C(C)C 308679168 573694573 /nfs/dbraw/zinc/69/45/73/573694573.db2.gz XDVZXQLJURIRSF-RYUDHWBXSA-N 2 1 198.354 2.269 10 30 AEEEMP C=CC[N@@H+](CCC)CCC[NH2+]C1CC1 126874636 573705897 /nfs/dbraw/zinc/70/58/97/573705897.db2.gz UEICXHJLBWUINP-UHFFFAOYSA-N 2 1 196.338 2.027 10 30 AEEEMP CCCCCCCC[NH2+]CC1([NH3+])CC1 126887385 573735102 /nfs/dbraw/zinc/73/51/02/573735102.db2.gz IDGHOYBICNVKBO-UHFFFAOYSA-N 2 1 198.354 2.428 10 30 AEEEMP C=CCCC[NH2+][C@H](C)C[N@H+](C)C(C)C 308705374 573750284 /nfs/dbraw/zinc/75/02/84/573750284.db2.gz WRRCRDJJNZCQDT-GFCCVEGCSA-N 2 1 198.354 2.271 10 30 AEEEMP C=CCCC[NH2+][C@H](C)C[N@@H+](C)C(C)C 308705374 573750289 /nfs/dbraw/zinc/75/02/89/573750289.db2.gz WRRCRDJJNZCQDT-GFCCVEGCSA-N 2 1 198.354 2.271 10 30 AEEEMP C=C(C)C[N@@H+](CC)CCC[C@H](C)C[NH3+] 131171529 573774177 /nfs/dbraw/zinc/77/41/77/573774177.db2.gz TYLRCTXEWOSRFH-LBPRGKRZSA-N 2 1 198.354 2.259 10 30 AEEEMP C=C(C[NH2+]C)C[C@@H]1CCC[N@H+]1C(C)C 258134401 573802760 /nfs/dbraw/zinc/80/27/60/573802760.db2.gz JEEKSEQNQRGRIO-LBPRGKRZSA-N 2 1 196.338 2.025 10 30 AEEEMP C=C(C[NH2+]C)C[C@H]1CCC[N@H+]1C(C)C 258134396 573803164 /nfs/dbraw/zinc/80/31/64/573803164.db2.gz JEEKSEQNQRGRIO-GFCCVEGCSA-N 2 1 196.338 2.025 10 30 AEEEMP C=CC[N@H+](CC)C[C@@H]1CCC[C@H]([NH3+])C1 131511304 573864885 /nfs/dbraw/zinc/86/48/85/573864885.db2.gz FUDSAZWAYCFPHX-NEPJUHHUSA-N 2 1 196.338 2.012 10 30 AEEEMP C=CC[N@@H+](CC)CCCCCCC[NH3+] 131494339 573864608 /nfs/dbraw/zinc/86/46/08/573864608.db2.gz MIJXHFFFHDNUKW-UHFFFAOYSA-N 2 1 198.354 2.404 10 30 AEEEMP C=CC[N@@H+](CC)CCCC[NH2+]C(C)C 131527580 573871171 /nfs/dbraw/zinc/87/11/71/573871171.db2.gz CAIXYBZIXBOYRV-UHFFFAOYSA-N 2 1 198.354 2.273 10 30 AEEEMP C=CC[N@H+](C)C[C@H](C)CCC[C@H](C)[NH3+] 131449787 573872675 /nfs/dbraw/zinc/87/26/75/573872675.db2.gz ZNYMIZIAGNYFBA-NEPJUHHUSA-N 2 1 198.354 2.258 10 30 AEEEMP C=CC[N@H+](C)C[C@H](C)CCC[C@@H](C)[NH3+] 131449343 573872906 /nfs/dbraw/zinc/87/29/06/573872906.db2.gz ZNYMIZIAGNYFBA-VXGBXAGGSA-N 2 1 198.354 2.258 10 30 AEEEMP C=CC[N@@H+](C)CCCC(C)(C)CC[NH3+] 131469216 573877710 /nfs/dbraw/zinc/87/77/10/573877710.db2.gz QABYVFOGFXQROP-UHFFFAOYSA-N 2 1 198.354 2.259 10 30 AEEEMP C=CC[N@H+](C)CC[C@@H](C[NH3+])CC(C)C 131470317 573880486 /nfs/dbraw/zinc/88/04/86/573880486.db2.gz URQCNQGMYQGSOL-GFCCVEGCSA-N 2 1 198.354 2.115 10 30 AEEEMP C=CC[N@H+](C)CC[C@H](C[NH3+])CC(C)C 131470541 573880880 /nfs/dbraw/zinc/88/08/80/573880880.db2.gz URQCNQGMYQGSOL-LBPRGKRZSA-N 2 1 198.354 2.115 10 30 AEEEMP C=CC[N@H+](CCC)C[C@H]1CC[C@H]([NH3+])C1 131591110 573889949 /nfs/dbraw/zinc/88/99/49/573889949.db2.gz KERCJCBTOAUUCT-RYUDHWBXSA-N 2 1 196.338 2.012 10 30 AEEEMP C=CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C(C)C 131628646 573893529 /nfs/dbraw/zinc/89/35/29/573893529.db2.gz SHXCVJJTBKZWHJ-LBPRGKRZSA-N 2 1 198.354 2.256 10 30 AEEEMP C=CC[N@@H+](C[C@@](C)([NH3+])CCC)C(C)C 131600148 573895394 /nfs/dbraw/zinc/89/53/94/573895394.db2.gz CKWSLIDXNXMEEU-LBPRGKRZSA-N 2 1 198.354 2.400 10 30 AEEEMP C=CC[N@H+](C[C@@](C)([NH3+])CCC)C(C)C 131600148 573895399 /nfs/dbraw/zinc/89/53/99/573895399.db2.gz CKWSLIDXNXMEEU-LBPRGKRZSA-N 2 1 198.354 2.400 10 30 AEEEMP C=CC[N@@H+](C[C@@H]([NH3+])[C@H](C)CC)C(C)C 131613530 573896077 /nfs/dbraw/zinc/89/60/77/573896077.db2.gz YQXFZOKZYZUXPT-VXGBXAGGSA-N 2 1 198.354 2.256 10 30 AEEEMP C=CC[C@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C 715051964 573896639 /nfs/dbraw/zinc/89/66/39/573896639.db2.gz GGEXNUCZMBEYEQ-RYUDHWBXSA-N 2 1 198.354 2.256 10 30 AEEEMP C=CC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 715052929 573897982 /nfs/dbraw/zinc/89/79/82/573897982.db2.gz JMKSKBZRFGDIJM-GHMZBOCLSA-N 2 1 196.338 2.010 10 30 AEEEMP C=CC[C@@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C 715051917 573898236 /nfs/dbraw/zinc/89/82/36/573898236.db2.gz GGEXNUCZMBEYEQ-NEPJUHHUSA-N 2 1 198.354 2.256 10 30 AEEEMP C=CC[C@@H](C)[N@@H+](CC)CC(C)(C)C[NH3+] 715052029 573898340 /nfs/dbraw/zinc/89/83/40/573898340.db2.gz GQYHRLNTPAEZFH-LLVKDONJSA-N 2 1 198.354 2.258 10 30 AEEEMP C=CC[C@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 715052932 573898493 /nfs/dbraw/zinc/89/84/93/573898493.db2.gz JMKSKBZRFGDIJM-WDEREUQCSA-N 2 1 196.338 2.010 10 30 AEEEMP C=CC[C@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C 715051918 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198.354 2.273 10 30 AEEEMP C=CCCC[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C 70593381 571674451 /nfs/dbraw/zinc/67/44/51/571674451.db2.gz UCDHALYUANPVRN-VXGBXAGGSA-N 2 1 196.338 2.012 10 30 AEEEMP C=CCCC[N@H+](CC)C1CC[NH2+]CC1 70593208 571674505 /nfs/dbraw/zinc/67/45/05/571674505.db2.gz LNZNCEGTPNXRNG-UHFFFAOYSA-N 2 1 196.338 2.027 10 30 AEEEMP C=CCCC[NH2+][C@@H](C)C[NH+](CC)CC 70592196 571674515 /nfs/dbraw/zinc/67/45/15/571674515.db2.gz FRCWKSMTKMVDAE-LBPRGKRZSA-N 2 1 198.354 2.273 10 30 AEEEMP C=CCCC[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C 70593382 571674574 /nfs/dbraw/zinc/67/45/74/571674574.db2.gz UCDHALYUANPVRN-NWDGAFQWSA-N 2 1 196.338 2.012 10 30 AEEEMP C=CCC[N@@H+]1CCCC[C@H]1CC[NH2+]C 70593395 571674720 /nfs/dbraw/zinc/67/47/20/571674720.db2.gz KBSGTWYHZFZXOL-LBPRGKRZSA-N 2 1 196.338 2.027 10 30 AEEEMP C=CCCC[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C 70593384 571674914 /nfs/dbraw/zinc/67/49/14/571674914.db2.gz UCDHALYUANPVRN-RYUDHWBXSA-N 2 1 196.338 2.012 10 30 AEEEMP 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IYRWXOGCILRKTH-GFCCVEGCSA-N 2 1 198.354 2.402 10 30 AEEEMP C=C(C)C[N@H+](CC)C[C@](C)([NH3+])CCC 37480898 572155150 /nfs/dbraw/zinc/15/51/50/572155150.db2.gz IYRWXOGCILRKTH-GFCCVEGCSA-N 2 1 198.354 2.402 10 30 AEEEMP C=C(C)C[N@@H+](CC)C[C@@H]([NH3+])CCCC 37480895 572156260 /nfs/dbraw/zinc/15/62/60/572156260.db2.gz QBQADQNQUOURMT-LBPRGKRZSA-N 2 1 198.354 2.402 10 30 AEEEMP C=C(C)C[N@H+](CC)C[C@@H]([NH3+])CCCC 37480895 572156263 /nfs/dbraw/zinc/15/62/63/572156263.db2.gz QBQADQNQUOURMT-LBPRGKRZSA-N 2 1 198.354 2.402 10 30 AEEEMP C=C(C)C[N@@H+](CC)C[C@H]1CCC[C@@H]1[NH3+] 82922180 572173971 /nfs/dbraw/zinc/17/39/71/572173971.db2.gz YMSHOSYZIMSPDT-NEPJUHHUSA-N 2 1 196.338 2.012 10 30 AEEEMP C=CC[N@@H+]1C[C@H](CCC)[NH2+]CC[C@H]1C 82943088 572180791 /nfs/dbraw/zinc/18/07/91/572180791.db2.gz ABIDAYQDKJGXEW-NEPJUHHUSA-N 2 1 196.338 2.025 10 30 AEEEMP C=CC[N@@H+]1C[C@@H](CCC)[NH2+]CC[C@H]1C 82943086 572179769 /nfs/dbraw/zinc/17/97/69/572179769.db2.gz ABIDAYQDKJGXEW-VXGBXAGGSA-N 2 1 196.338 2.025 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C=C(C)CC[NH2+][C@H](C[NH3+])CCCC 687796414 572218166 /nfs/dbraw/zinc/21/81/66/572218166.db2.gz KTQNWRZAQABEFJ-NSHDSACASA-N 2 1 184.327 2.060 10 30 AEEEMP C=C(C)CC[NH2+][C@@H](C[NH3+])[C@@H](C)C(C)C 687796379 572217247 /nfs/dbraw/zinc/21/72/47/572217247.db2.gz DHMLCDVJGRNFET-RYUDHWBXSA-N 2 1 198.354 2.162 10 30 AEEEMP C=C(C)CC[NH2+][C@@H](C[NH3+])[C@H](C)C(C)C 687796377 572217304 /nfs/dbraw/zinc/21/73/04/572217304.db2.gz DHMLCDVJGRNFET-NEPJUHHUSA-N 2 1 198.354 2.162 10 30 AEEEMP C=C(C)CC[NH2+][C@]1(C[NH3+])CCC[C@H]1C 687796417 572217382 /nfs/dbraw/zinc/21/73/82/572217382.db2.gz NJRKTRMOIUXKHI-NEPJUHHUSA-N 2 1 196.338 2.060 10 30 AEEEMP C=C(C)CC[NH2+][C@@]1(C[NH3+])CCC[C@H]1C 687796420 572217544 /nfs/dbraw/zinc/21/75/44/572217544.db2.gz NJRKTRMOIUXKHI-VXGBXAGGSA-N 2 1 196.338 2.060 10 30 AEEEMP C=C(C)CC[NH2+][C@](C)(C[NH3+])[C@@H](C)CC 687796424 572217587 /nfs/dbraw/zinc/21/75/87/572217587.db2.gz OFNRDAWKEDETHJ-NWDGAFQWSA-N 2 1 198.354 2.306 10 30 AEEEMP C=C(C)CC[NH2+][C@@](C)(C[NH3+])CCC 687796391 572217593 /nfs/dbraw/zinc/21/75/93/572217593.db2.gz HJSZMRYBBCOJAW-LLVKDONJSA-N 2 1 184.327 2.060 10 30 AEEEMP C=C(C)CC[NH2+][C@@](C)(C[NH3+])CC1CC1 687796372 572217604 /nfs/dbraw/zinc/21/76/04/572217604.db2.gz CAGWFGJRGRIXRO-GFCCVEGCSA-N 2 1 196.338 2.060 10 30 AEEEMP C=C(C)CC[NH2+][C@](CC)(C[NH3+])C1CC1 687796381 572217648 /nfs/dbraw/zinc/21/76/48/572217648.db2.gz DMGCJFYTNGJSGH-GFCCVEGCSA-N 2 1 196.338 2.060 10 30 AEEEMP C=C(C)CC[NH2+][C@]1(C[NH3+])CCC1(C)C 687796422 572217667 /nfs/dbraw/zinc/21/76/67/572217667.db2.gz NMQDKWGDNICCKM-LBPRGKRZSA-N 2 1 196.338 2.060 10 30 AEEEMP C=C(C)CC[NH2+][C@@H](C[NH3+])C1CCCC1 687796440 572217721 /nfs/dbraw/zinc/21/77/21/572217721.db2.gz RLFXNIBPAHNREB-LBPRGKRZSA-N 2 1 196.338 2.060 10 30 AEEEMP C=C(C)CC[NH2+][C@H](C[NH3+])[C@@H](C)CCC 687796367 572218194 /nfs/dbraw/zinc/21/81/94/572218194.db2.gz AISVSKQZWFEIGV-NWDGAFQWSA-N 2 1 198.354 2.306 10 30 AEEEMP C=C(C)CC[NH2+][C@@H](C[NH3+])CC(C)(C)C 687796374 572217785 /nfs/dbraw/zinc/21/77/85/572217785.db2.gz CLIJMEQKKGJANZ-LLVKDONJSA-N 2 1 198.354 2.306 10 30 AEEEMP C=C(C)CC[NH2+][C@H](C[NH3+])[C@@H](C)C(C)C 687796378 572217852 /nfs/dbraw/zinc/21/78/52/572217852.db2.gz DHMLCDVJGRNFET-NWDGAFQWSA-N 2 1 198.354 2.162 10 30 AEEEMP C=C(C)CC[NH2+][C@H](C[NH3+])CC(C)(C)C 687796375 572217899 /nfs/dbraw/zinc/21/78/99/572217899.db2.gz CLIJMEQKKGJANZ-NSHDSACASA-N 2 1 198.354 2.306 10 30 AEEEMP C=C(C)CC[NH2+][C@@](C)(C[NH3+])[C@@H](C)CC 687796425 572218020 /nfs/dbraw/zinc/21/80/20/572218020.db2.gz OFNRDAWKEDETHJ-RYUDHWBXSA-N 2 1 198.354 2.306 10 30 AEEEMP C=C(C)CC[NH2+][C@](C)(C[NH3+])[C@H](C)CC 687796426 572218304 /nfs/dbraw/zinc/21/83/04/572218304.db2.gz OFNRDAWKEDETHJ-VXGBXAGGSA-N 2 1 198.354 2.306 10 30 AEEEMP C=C(C)CC[NH2+][C@]1(C[NH3+])CCC[C@@H]1C 687796419 572218330 /nfs/dbraw/zinc/21/83/30/572218330.db2.gz NJRKTRMOIUXKHI-RYUDHWBXSA-N 2 1 196.338 2.060 10 30 AEEEMP C=C(C)CC[NH2+][C@@]1(C[NH3+])CCC1(C)C 687796421 572218456 /nfs/dbraw/zinc/21/84/56/572218456.db2.gz NMQDKWGDNICCKM-GFCCVEGCSA-N 2 1 196.338 2.060 10 30 AEEEMP C=C(C)CC[NH2+][C@@](C)(C[NH3+])[C@H](C)CC 687796423 572218593 /nfs/dbraw/zinc/21/85/93/572218593.db2.gz OFNRDAWKEDETHJ-NEPJUHHUSA-N 2 1 198.354 2.306 10 30 AEEEMP C=C(C)CC[NH2+][C@](C)(C[NH3+])CCC 687796392 572218680 /nfs/dbraw/zinc/21/86/80/572218680.db2.gz HJSZMRYBBCOJAW-NSHDSACASA-N 2 1 184.327 2.060 10 30 AEEEMP C=C(C)CC[NH2+][C@H](C[NH3+])[C@H](C)CCC 687796369 572219091 /nfs/dbraw/zinc/21/90/91/572219091.db2.gz AISVSKQZWFEIGV-VXGBXAGGSA-N 2 1 198.354 2.306 10 30 AEEEMP C=C(C)CC[NH2+][C@H](C[NH3+])CCCCC 687796390 572219112 /nfs/dbraw/zinc/21/91/12/572219112.db2.gz HBXNKAJDBRWJDY-LBPRGKRZSA-N 2 1 198.354 2.450 10 30 AEEEMP C=C(C)CC[NH2+][C@@H](C[NH3+])[C@H](C)CCC 687796366 572219316 /nfs/dbraw/zinc/21/93/16/572219316.db2.gz AISVSKQZWFEIGV-NEPJUHHUSA-N 2 1 198.354 2.306 10 30 AEEEMP C=C(C)CC[NH2+][C@H](C[NH3+])[C@H](C)C(C)C 687796380 572219473 /nfs/dbraw/zinc/21/94/73/572219473.db2.gz DHMLCDVJGRNFET-VXGBXAGGSA-N 2 1 198.354 2.162 10 30 AEEEMP C=C(C)CC[NH2+][C@@H](C[NH3+])CCCCC 687796389 572219557 /nfs/dbraw/zinc/21/95/57/572219557.db2.gz HBXNKAJDBRWJDY-GFCCVEGCSA-N 2 1 198.354 2.450 10 30 AEEEMP C=C(C)CC[NH2+][C@@]1(C[NH3+])CC[C@@H](C)C1 687796393 572219722 /nfs/dbraw/zinc/21/97/22/572219722.db2.gz HPOFKBQNCMFXFH-NEPJUHHUSA-N 2 1 196.338 2.060 10 30 AEEEMP C=C(C)CC[NH2+][C@H](C[NH3+])C1CCCC1 687796439 572219756 /nfs/dbraw/zinc/21/97/56/572219756.db2.gz RLFXNIBPAHNREB-GFCCVEGCSA-N 2 1 196.338 2.060 10 30 AEEEMP C=C(C)CC[NH2+]C(CC)(CC)C[NH3+] 687796447 572219803 /nfs/dbraw/zinc/21/98/03/572219803.db2.gz SYUPKNVNDXMCBM-UHFFFAOYSA-N 2 1 184.327 2.060 10 30 AEEEMP C=C(C)CC[NH2+][C@@]1(C[NH3+])CCC[C@@H]1C 687796418 572219846 /nfs/dbraw/zinc/21/98/46/572219846.db2.gz NJRKTRMOIUXKHI-NWDGAFQWSA-N 2 1 196.338 2.060 10 30 AEEEMP C=C(C)CC[NH2+][C@@](CC)(C[NH3+])C1CC1 687796382 572219849 /nfs/dbraw/zinc/21/98/49/572219849.db2.gz DMGCJFYTNGJSGH-LBPRGKRZSA-N 2 1 196.338 2.060 10 30 AEEEMP C=C(C)CC[NH2+][C@@H](C[NH3+])CCCC 687796413 572219915 /nfs/dbraw/zinc/21/99/15/572219915.db2.gz KTQNWRZAQABEFJ-LLVKDONJSA-N 2 1 184.327 2.060 10 30 AEEEMP C=C(C)CC[NH2+][C@](C)(C[NH3+])CC1CC1 687796373 572220007 /nfs/dbraw/zinc/22/00/07/572220007.db2.gz CAGWFGJRGRIXRO-LBPRGKRZSA-N 2 1 196.338 2.060 10 30 AEEEMP C=CCCC[N@H+](C)CCC[C@H](C)C[NH3+] 220263455 572222705 /nfs/dbraw/zinc/22/27/05/572222705.db2.gz FIVDLXKXHNJOOA-LBPRGKRZSA-N 2 1 198.354 2.259 10 30 AEEEMP C=CCCC[N@H+](C)CC[C@@H](C)[NH2+]CC 220265411 572224813 /nfs/dbraw/zinc/22/48/13/572224813.db2.gz SBPGDHCYKIPDFP-GFCCVEGCSA-N 2 1 198.354 2.273 10 30 AEEEMP C=CCCC[N@H+](C)CCCC[C@@H](C)[NH3+] 220275034 572227240 /nfs/dbraw/zinc/22/72/40/572227240.db2.gz LMGSCBYTDPSVFI-GFCCVEGCSA-N 2 1 198.354 2.402 10 30 AEEEMP C=CC[N@H+]1CC[C@H]([NH3+])[C@H]1[C@@H](C)CCC 711997262 572231336 /nfs/dbraw/zinc/23/13/36/572231336.db2.gz AGVDUILOVKFLHP-SDDRHHMPSA-N 2 1 196.338 2.010 10 30 AEEEMP C=CC[N@@H+]1CC[C@H]([NH3+])[C@H]1[C@@H](C)CCC 711997262 572231340 /nfs/dbraw/zinc/23/13/40/572231340.db2.gz AGVDUILOVKFLHP-SDDRHHMPSA-N 2 1 196.338 2.010 10 30 AEEEMP C=CC[N@H+]1CC[C@H]([NH3+])[C@H]1[C@H](C)CCC 711997259 572232323 /nfs/dbraw/zinc/23/23/23/572232323.db2.gz AGVDUILOVKFLHP-GRYCIOLGSA-N 2 1 196.338 2.010 10 30 AEEEMP C=CC[N@@H+]1CC[C@H]([NH3+])[C@H]1[C@H](C)CCC 711997259 572232325 /nfs/dbraw/zinc/23/23/25/572232325.db2.gz AGVDUILOVKFLHP-GRYCIOLGSA-N 2 1 196.338 2.010 10 30 AEEEMP C=CC[N@H+]1CC[C@H]([NH3+])[C@@H]1[C@H](C)CCC 711997270 572233060 /nfs/dbraw/zinc/23/30/60/572233060.db2.gz AGVDUILOVKFLHP-WOPDTQHZSA-N 2 1 196.338 2.010 10 30 AEEEMP C=CC[N@@H+]1CC[C@H]([NH3+])[C@@H]1[C@H](C)CCC 711997270 572233065 /nfs/dbraw/zinc/23/30/65/572233065.db2.gz AGVDUILOVKFLHP-WOPDTQHZSA-N 2 1 196.338 2.010 10 30 AEEEMP C=CC[N@H+]1CC[C@H]([NH3+])[C@@H]1[C@@H](C)CCC 711997264 572233561 /nfs/dbraw/zinc/23/35/61/572233561.db2.gz AGVDUILOVKFLHP-SRVKXCTJSA-N 2 1 196.338 2.010 10 30 AEEEMP C=CC[N@@H+]1CC[C@H]([NH3+])[C@@H]1[C@@H](C)CCC 711997264 572233562 /nfs/dbraw/zinc/23/35/62/572233562.db2.gz AGVDUILOVKFLHP-SRVKXCTJSA-N 2 1 196.338 2.010 10 30 AEEEMP C=CCCC[NH2+]C[C@H]1CCC[N@H+]1CC 70591431 572239121 /nfs/dbraw/zinc/23/91/21/572239121.db2.gz UVKDIJZIAICLCJ-GFCCVEGCSA-N 2 1 196.338 2.027 10 30 AEEEMP C=CCCC[NH2+]C[C@H]1CCC[N@@H+]1CC 70591431 572239124 /nfs/dbraw/zinc/23/91/24/572239124.db2.gz UVKDIJZIAICLCJ-GFCCVEGCSA-N 2 1 196.338 2.027 10 30 AEEEMP C=CCCC[NH2+][C@H](C)C[NH+]1CCCC1 70591932 572240441 /nfs/dbraw/zinc/24/04/41/572240441.db2.gz XQWVKYRJOMUWQO-GFCCVEGCSA-N 2 1 196.338 2.027 10 30 AEEEMP C=CCCC[NH2+]C[C@@H]1CCC[N@H+]1CC 70591432 572240510 /nfs/dbraw/zinc/24/05/10/572240510.db2.gz UVKDIJZIAICLCJ-LBPRGKRZSA-N 2 1 196.338 2.027 10 30 AEEEMP C=CCCC[NH2+]C[C@@H]1CCC[N@@H+]1CC 70591432 572240513 /nfs/dbraw/zinc/24/05/13/572240513.db2.gz UVKDIJZIAICLCJ-LBPRGKRZSA-N 2 1 196.338 2.027 10 30 AEEEMP C=CCCC[NH2+][C@@H](C)C[NH+]1CCCC1 70591931 572240610 /nfs/dbraw/zinc/24/06/10/572240610.db2.gz XQWVKYRJOMUWQO-LBPRGKRZSA-N 2 1 196.338 2.027 10 30 AEEEMP C=CC[N@H+]1CC[C@@H]([NH2+]CCC)C[C@H]1C 49712831 572249441 /nfs/dbraw/zinc/24/94/41/572249441.db2.gz LIRFMRNFXQTUHK-VXGBXAGGSA-N 2 1 196.338 2.025 10 30 AEEEMP C=CC[N@@H+]1CC[C@@H]([NH2+]CCC)C[C@H]1C 49712831 572249443 /nfs/dbraw/zinc/24/94/43/572249443.db2.gz LIRFMRNFXQTUHK-VXGBXAGGSA-N 2 1 196.338 2.025 10 30 AEEEMP C=CC[N@H+]1CC[C@H]([NH2+]CCC)C[C@H]1C 49712832 572249648 /nfs/dbraw/zinc/24/96/48/572249648.db2.gz LIRFMRNFXQTUHK-NEPJUHHUSA-N 2 1 196.338 2.025 10 30 AEEEMP C=CC[N@@H+]1CC[C@H]([NH2+]CCC)C[C@H]1C 49712832 572249650 /nfs/dbraw/zinc/24/96/50/572249650.db2.gz LIRFMRNFXQTUHK-NEPJUHHUSA-N 2 1 196.338 2.025 10 30 AEEEMP C=CCCCCC[N@@H+]1CCC[C@H]([NH3+])C1 236317606 572330145 /nfs/dbraw/zinc/33/01/45/572330145.db2.gz YQBYJUQTFJRMJB-LBPRGKRZSA-N 2 1 196.338 2.156 10 30 AEEEMP C=CC(C)(C)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C 307142126 572354389 /nfs/dbraw/zinc/35/43/89/572354389.db2.gz DLVWWUHBYPSILO-WDEREUQCSA-N 2 1 196.338 2.010 10 30 AEEEMP C=CC(C)(C)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C 307142124 572368626 /nfs/dbraw/zinc/36/86/26/572368626.db2.gz DLVWWUHBYPSILO-QWRGUYRKSA-N 2 1 196.338 2.010 10 30 AEEEMP C=CC[NH2+][C@@H](C[NH3+])CCCCCC 83759458 572391041 /nfs/dbraw/zinc/39/10/41/572391041.db2.gz IKLNQPGXBMWJQV-LLVKDONJSA-N 2 1 184.327 2.060 10 30 AEEEMP C=CC[NH2+][C@@]1(C[NH3+])CCCC[C@H]1CC 83759203 572391159 /nfs/dbraw/zinc/39/11/59/572391159.db2.gz VZBFTCAOHFXDIP-VXGBXAGGSA-N 2 1 196.338 2.060 10 30 AEEEMP C=CC[NH2+][C@@]1(C[NH3+])CCCC[C@@H]1CC 83759205 572391544 /nfs/dbraw/zinc/39/15/44/572391544.db2.gz VZBFTCAOHFXDIP-NWDGAFQWSA-N 2 1 196.338 2.060 10 30 AEEEMP C=CC[NH2+][C@]1(C[NH3+])CCCC[C@H]1CC 83759198 572391927 /nfs/dbraw/zinc/39/19/27/572391927.db2.gz VZBFTCAOHFXDIP-NEPJUHHUSA-N 2 1 196.338 2.060 10 30 AEEEMP C=CC[NH2+][C@H](C[NH3+])CCCCCC 83759455 572392207 /nfs/dbraw/zinc/39/22/07/572392207.db2.gz IKLNQPGXBMWJQV-NSHDSACASA-N 2 1 184.327 2.060 10 30 AEEEMP C=C1CCC[N@H+]([C@@H](C)CC[NH2+]CC)C1 688694305 572403013 /nfs/dbraw/zinc/40/30/13/572403013.db2.gz RZOWMQUJKDQCSA-LBPRGKRZSA-N 2 1 196.338 2.027 10 30 AEEEMP C=C1CCC[N@H+]([C@H](C)CC[NH2+]CC)C1 688694304 572403265 /nfs/dbraw/zinc/40/32/65/572403265.db2.gz RZOWMQUJKDQCSA-GFCCVEGCSA-N 2 1 196.338 2.027 10 30 AEEEMP C=C(CC)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C 307307066 572441394 /nfs/dbraw/zinc/44/13/94/572441394.db2.gz UOCBCOBTFGEXGY-SRVKXCTJSA-N 2 1 196.338 2.010 10 30 AEEEMP C=C(CC)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)[C@H]1C 307307068 572464343 /nfs/dbraw/zinc/46/43/43/572464343.db2.gz UOCBCOBTFGEXGY-TUAOUCFPSA-N 2 1 196.338 2.010 10 30 AEEEMP C=C(CC)C[N@H+]1CC[C@H]([NH3+])[C@H](C)[C@@H]1C 307307070 572478078 /nfs/dbraw/zinc/47/80/78/572478078.db2.gz UOCBCOBTFGEXGY-WOPDTQHZSA-N 2 1 196.338 2.010 10 30 AEEEMP C=C(CC)C[N@H+]1CC[C@H]([NH3+])[C@H](C)[C@H]1C 307307069 572482003 /nfs/dbraw/zinc/48/20/03/572482003.db2.gz UOCBCOBTFGEXGY-UTUOFQBUSA-N 2 1 196.338 2.010 10 30 AEEEMP C=CC[NH2+][C@H](C[NH3+])C1CCCCCC1 84328892 572534773 /nfs/dbraw/zinc/53/47/73/572534773.db2.gz SVVGNRSOWMAHNN-GFCCVEGCSA-N 2 1 196.338 2.060 10 30 AEEEMP C=CC[NH2+][C@@H](C[NH3+])C1CCCCCC1 84328890 572535033 /nfs/dbraw/zinc/53/50/33/572535033.db2.gz SVVGNRSOWMAHNN-LBPRGKRZSA-N 2 1 196.338 2.060 10 30 AEEEMP C=C(CC)C[N@H+]1CCC[C@H](CC[NH3+])C1 85060477 572643032 /nfs/dbraw/zinc/64/30/32/572643032.db2.gz XHZNQJFPZYUZJA-GFCCVEGCSA-N 2 1 196.338 2.013 10 30 AEEEMP C=C(CC)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 85060484 572643247 /nfs/dbraw/zinc/64/32/47/572643247.db2.gz GHWGQBNWYBDGKP-VXGBXAGGSA-N 2 1 196.338 2.012 10 30 AEEEMP C=C(CC)C[N@H+]1CCC[C@@H](CC[NH3+])C1 85060479 572643607 /nfs/dbraw/zinc/64/36/07/572643607.db2.gz XHZNQJFPZYUZJA-LBPRGKRZSA-N 2 1 196.338 2.013 10 30 AEEEMP C=C(CC)C[N@H+](CC)C1CC[NH2+]CC1 85060288 572644022 /nfs/dbraw/zinc/64/40/22/572644022.db2.gz WEAMDYITDOGMMP-UHFFFAOYSA-N 2 1 196.338 2.027 10 30 AEEEMP C=C(CC)C[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] 85060393 572644320 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