smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](C)C[NH2+]CCCN1CCCC1 20129197 537780296 /nfs/dbraw/zinc/78/02/96/537780296.db2.gz PGBGZLFFRCVBDF-LBPRGKRZSA-N 1 3 198.354 2.108 20 0 AEADHO CC[C@@H](C)C[NH2+]CCCN1CCCC1 20129196 537783064 /nfs/dbraw/zinc/78/30/64/537783064.db2.gz PGBGZLFFRCVBDF-GFCCVEGCSA-N 1 3 198.354 2.108 20 0 AEADHO NCCC[N@@H+](C1CCCCC1)C1CC1 34960464 537796678 /nfs/dbraw/zinc/79/66/78/537796678.db2.gz DPTLSHKFINDQFR-UHFFFAOYSA-N 1 3 196.338 2.132 20 0 AEADHO NCCC[N@H+](C1CCCCC1)C1CC1 34960464 537796685 /nfs/dbraw/zinc/79/66/85/537796685.db2.gz DPTLSHKFINDQFR-UHFFFAOYSA-N 1 3 196.338 2.132 20 0 AEADHO CCC[NH+](CCC)CCCNC1CC1 37478495 537814854 /nfs/dbraw/zinc/81/48/54/537814854.db2.gz IHTRMPNVTMMKIG-UHFFFAOYSA-N 1 3 198.354 2.251 20 0 AEADHO CC(C)[NH2+]C[C@@H](C)CN1CCCCC1 38041832 537822871 /nfs/dbraw/zinc/82/28/71/537822871.db2.gz ZCUNBQNENBPWFA-GFCCVEGCSA-N 1 3 198.354 2.106 20 0 AEADHO CC(C)[NH2+]C[C@H](C)CN1CCCCC1 38041833 537827351 /nfs/dbraw/zinc/82/73/51/537827351.db2.gz ZCUNBQNENBPWFA-LBPRGKRZSA-N 1 3 198.354 2.106 20 0 AEADHO CCCCN(C)CCC[NH+]1CCCC1 41209525 537841385 /nfs/dbraw/zinc/84/13/85/537841385.db2.gz HUMULKDMPNDLLJ-UHFFFAOYSA-N 1 3 198.354 2.204 20 0 AEADHO CC(C)[NH2+]CC(C)(C)CN1CCCC1 51208065 537862493 /nfs/dbraw/zinc/86/24/93/537862493.db2.gz OGNODEOVWOZKDF-UHFFFAOYSA-N 1 3 198.354 2.106 20 0 AEADHO CCC(CC)C[NH2+]CCCNC1CC1 163428173 538082982 /nfs/dbraw/zinc/08/29/82/538082982.db2.gz BBPMFORNPHVLSN-UHFFFAOYSA-N 1 3 198.354 2.154 20 0 AEADHO CC(C)(C)CC[NH2+]CCCNC1CC1 163428057 538084272 /nfs/dbraw/zinc/08/42/72/538084272.db2.gz VYQDSINDRZIBAC-UHFFFAOYSA-N 1 3 198.354 2.154 20 0 AEADHO CC(C)N(C)CCC[NH2+][C@H](C)C1CC1 165255292 538149005 /nfs/dbraw/zinc/14/90/05/538149005.db2.gz VARFGHLFXLFUCL-LLVKDONJSA-N 1 3 198.354 2.105 20 0 AEADHO CC(C)N(C)CCC[NH2+][C@@H](C)C1CC1 165255155 538151787 /nfs/dbraw/zinc/15/17/87/538151787.db2.gz VARFGHLFXLFUCL-NSHDSACASA-N 1 3 198.354 2.105 20 0 AEADHO CC[C@H](C)[NH2+]CCCN(C)C(C)C 166564783 538160173 /nfs/dbraw/zinc/16/01/73/538160173.db2.gz VUGDSNDYOZZMKO-NSHDSACASA-N 1 3 186.343 2.105 20 0 AEADHO CC[C@@H](C)[NH2+]CCCN(C)C(C)C 166564674 538162736 /nfs/dbraw/zinc/16/27/36/538162736.db2.gz VUGDSNDYOZZMKO-LLVKDONJSA-N 1 3 186.343 2.105 20 0 AEADHO CCCC[C@H](C)[NH2+][C@H]1CCC[C@@H](N)C1 222998696 538197071 /nfs/dbraw/zinc/19/70/71/538197071.db2.gz YHHMLTLBLNSHMP-TUAOUCFPSA-N 1 3 198.354 2.425 20 0 AEADHO CCC[C@H](CC)[NH2+][C@H]1CCC[C@@H](N)C1 222997792 538197121 /nfs/dbraw/zinc/19/71/21/538197121.db2.gz VLBUCKPAQRBTMY-WOPDTQHZSA-N 1 3 198.354 2.425 20 0 AEADHO C[C@H](CC1CC1)[NH2+][C@@H]1CCC[C@@H](N)C1 223016506 538197659 /nfs/dbraw/zinc/19/76/59/538197659.db2.gz IBWGGOCDMUJKPY-YUSALJHKSA-N 1 3 196.338 2.035 20 0 AEADHO CCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](N)C1 222998572 538197820 /nfs/dbraw/zinc/19/78/20/538197820.db2.gz YHHMLTLBLNSHMP-QJPTWQEYSA-N 1 3 198.354 2.425 20 0 AEADHO C[C@H](CC1CC1)[NH2+][C@H]1CCC[C@@H](N)C1 223016608 538197842 /nfs/dbraw/zinc/19/78/42/538197842.db2.gz IBWGGOCDMUJKPY-JLLWLGSASA-N 1 3 196.338 2.035 20 0 AEADHO CC[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)C(C)C 222981982 538197872 /nfs/dbraw/zinc/19/78/72/538197872.db2.gz XKNHFFDNDSKLTC-UTUOFQBUSA-N 1 3 198.354 2.281 20 0 AEADHO CCC[C@H](CC)[NH2+][C@@H]1CCC[C@@H](N)C1 222997682 538197991 /nfs/dbraw/zinc/19/79/91/538197991.db2.gz VLBUCKPAQRBTMY-GRYCIOLGSA-N 1 3 198.354 2.425 20 0 AEADHO CC[C@H]([NH2+][C@H]1CCC[C@@H](N)C1)C(C)C 222982109 538198008 /nfs/dbraw/zinc/19/80/08/538198008.db2.gz XKNHFFDNDSKLTC-WOPDTQHZSA-N 1 3 198.354 2.281 20 0 AEADHO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H](N)C1 222980758 538198033 /nfs/dbraw/zinc/19/80/33/538198033.db2.gz RNXJVVHCFZJSQM-NNYUYHANSA-N 1 3 198.354 2.281 20 0 AEADHO CC1CC([NH2+]CCCN(C)C(C)C)C1 231787348 538221398 /nfs/dbraw/zinc/22/13/98/538221398.db2.gz RKMOYKGOFLEKHO-UHFFFAOYSA-N 1 3 198.354 2.105 20 0 AEADHO CCN(CC)CCC[NH2+]C1CC(C)C1 231786950 538221406 /nfs/dbraw/zinc/22/14/06/538221406.db2.gz UMRFDAANUSUXNV-UHFFFAOYSA-N 1 3 198.354 2.106 20 0 AEADHO CC(C)CCC[N@@H+]1CC[C@](C)(CN)C1 232539855 538224304 /nfs/dbraw/zinc/22/43/04/538224304.db2.gz PKBUJDNLHWNFAM-GFCCVEGCSA-N 1 3 198.354 2.093 20 0 AEADHO CC(C)CCC[N@H+]1CC[C@](C)(CN)C1 232539855 538224308 /nfs/dbraw/zinc/22/43/08/538224308.db2.gz PKBUJDNLHWNFAM-GFCCVEGCSA-N 1 3 198.354 2.093 20 0 AEADHO CC(C)CCC[N@@H+]1CC[C@@](C)(CN)C1 232539764 538225367 /nfs/dbraw/zinc/22/53/67/538225367.db2.gz PKBUJDNLHWNFAM-LBPRGKRZSA-N 1 3 198.354 2.093 20 0 AEADHO CC(C)CCC[N@H+]1CC[C@@](C)(CN)C1 232539764 538225372 /nfs/dbraw/zinc/22/53/72/538225372.db2.gz PKBUJDNLHWNFAM-LBPRGKRZSA-N 1 3 198.354 2.093 20 0 AEADHO CC[C@H](C)[NH2+][C@@H]1CCN2CCC[C@H]2C1 251352055 538261391 /nfs/dbraw/zinc/26/13/91/538261391.db2.gz MXXUZOCUTSFMDJ-TUAOUCFPSA-N 1 3 196.338 2.001 20 0 AEADHO CC[C@H](C)[NH2+][C@H]1CCN2CCC[C@H]2C1 251352054 538262123 /nfs/dbraw/zinc/26/21/23/538262123.db2.gz MXXUZOCUTSFMDJ-SRVKXCTJSA-N 1 3 196.338 2.001 20 0 AEADHO C[C@@H]1C[C@H]([N@@H+]2CCCC[C@H]2C)CCN1 252943920 538283764 /nfs/dbraw/zinc/28/37/64/538283764.db2.gz KXKGWSMELKYDEY-IJLUTSLNSA-N 1 3 196.338 2.001 20 0 AEADHO C[C@@H]1C[C@H]([N@H+]2CCCC[C@H]2C)CCN1 252943920 538283772 /nfs/dbraw/zinc/28/37/72/538283772.db2.gz KXKGWSMELKYDEY-IJLUTSLNSA-N 1 3 196.338 2.001 20 0 AEADHO C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H]2C)CCN1 252943921 538284959 /nfs/dbraw/zinc/28/49/59/538284959.db2.gz KXKGWSMELKYDEY-UTUOFQBUSA-N 1 3 196.338 2.001 20 0 AEADHO C[C@@H]1C[C@@H]([N@H+]2CCCC[C@H]2C)CCN1 252943921 538284963 /nfs/dbraw/zinc/28/49/63/538284963.db2.gz KXKGWSMELKYDEY-UTUOFQBUSA-N 1 3 196.338 2.001 20 0 AEADHO CCN(CC)CCC[NH2+]CC1(C)CC1 379584648 538418180 /nfs/dbraw/zinc/41/81/80/538418180.db2.gz ONDJOGHGLJDCTG-UHFFFAOYSA-N 1 3 198.354 2.108 20 0 AEADHO CCC[C@@H](C)[NH2+]CC1=CCN(C)CC1 379593384 538419589 /nfs/dbraw/zinc/41/95/89/538419589.db2.gz BQFNELLJFQJXBP-LLVKDONJSA-N 1 3 196.338 2.027 20 0 AEADHO CC(C)N(C)CCC[NH2+]CC1(C)CC1 379596505 538419716 /nfs/dbraw/zinc/41/97/16/538419716.db2.gz FRABLPDVJKJGTK-UHFFFAOYSA-N 1 3 198.354 2.106 20 0 AEADHO CCC[C@H](C)[NH2+]CC1=CCN(C)CC1 379593390 538420950 /nfs/dbraw/zinc/42/09/50/538420950.db2.gz BQFNELLJFQJXBP-NSHDSACASA-N 1 3 196.338 2.027 20 0 AEADHO CC[C@H](C)[NH2+]CCCN(CC)CC 19943292 541301187 /nfs/dbraw/zinc/30/11/87/541301187.db2.gz XOHVWVDHMLIAMW-NSHDSACASA-N 1 3 186.343 2.106 20 0 AEADHO CC[C@@H](C)[NH2+]CCCN(CC)CC 19943289 541301224 /nfs/dbraw/zinc/30/12/24/541301224.db2.gz XOHVWVDHMLIAMW-LLVKDONJSA-N 1 3 186.343 2.106 20 0 AEADHO CCNCCC[NH2+]C1CCC(C)CC1 202528369 541315155 /nfs/dbraw/zinc/31/51/55/541315155.db2.gz WXSSUUOZPWYXIG-UHFFFAOYSA-N 1 3 198.354 2.154 20 0 AEADHO CCCCC[C@H](C)[NH2+][C@H](C)C1CNC1 686255064 757303432 /nfs/dbraw/zinc/30/34/32/757303432.db2.gz WCOBZPOBUHAKKR-WDEREUQCSA-N 1 3 198.354 2.153 20 0 AEADHO CCCCC[C@H](C)[NH2+][C@@H](C)C1CNC1 686255063 757305166 /nfs/dbraw/zinc/30/51/66/757305166.db2.gz WCOBZPOBUHAKKR-QWRGUYRKSA-N 1 3 198.354 2.153 20 0 AEADHO CCCCC[C@@H](C)[NH2+][C@H](C)C1CNC1 686255061 757305531 /nfs/dbraw/zinc/30/55/31/757305531.db2.gz WCOBZPOBUHAKKR-GHMZBOCLSA-N 1 3 198.354 2.153 20 0 AEADHO CCCCC[C@@H](C)[NH2+][C@@H](C)C1CNC1 686255062 757307257 /nfs/dbraw/zinc/30/72/57/757307257.db2.gz WCOBZPOBUHAKKR-MNOVXSKESA-N 1 3 198.354 2.153 20 0 AEADHO C[C@H](CC1CC1)[NH2+]CC[C@@H](C)N(C)C 697856761 757433833 /nfs/dbraw/zinc/43/38/33/757433833.db2.gz AKVCUAZSFFFPON-GHMZBOCLSA-N 1 3 198.354 2.105 20 0 AEADHO C[C@@H](CC[NH2+][C@H](C)CC1CC1)N(C)C 697856762 757432841 /nfs/dbraw/zinc/43/28/41/757432841.db2.gz AKVCUAZSFFFPON-MNOVXSKESA-N 1 3 198.354 2.105 20 0 AEADHO CCC(CC)[NH2+]CC[C@H](C)N(C)C 697857803 757433123 /nfs/dbraw/zinc/43/31/23/757433123.db2.gz KJARCSJHXBZABY-JTQLQIEISA-N 1 3 186.343 2.105 20 0 AEADHO CCC(CC)[NH2+]CC[C@@H](C)N(C)C 697857804 757433260 /nfs/dbraw/zinc/43/32/60/757433260.db2.gz KJARCSJHXBZABY-SNVBAGLBSA-N 1 3 186.343 2.105 20 0 AEADHO CC(C)=CCC[N@@H+]1CCC[C@@H](CN)C1 697620057 757433417 /nfs/dbraw/zinc/43/34/17/757433417.db2.gz USTHUCYMTIZALH-LBPRGKRZSA-N 1 3 196.338 2.013 20 0 AEADHO CC(C)=CCC[N@H+]1CCC[C@@H](CN)C1 697620057 757433419 /nfs/dbraw/zinc/43/34/19/757433419.db2.gz USTHUCYMTIZALH-LBPRGKRZSA-N 1 3 196.338 2.013 20 0 AEADHO CC(C)=CCCN1CCC[C@@H](C[NH3+])C1 697620057 757433437 /nfs/dbraw/zinc/43/34/37/757433437.db2.gz USTHUCYMTIZALH-LBPRGKRZSA-N 1 3 196.338 2.013 20 0 AEADHO C[C@@H]1CCC[C@H]1[NH2+]CC[C@@H](C)N(C)C 697859717 757434239 /nfs/dbraw/zinc/43/42/39/757434239.db2.gz RNDIFPZDOOEFLH-IJLUTSLNSA-N 1 3 198.354 2.105 20 0 AEADHO C[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H](C)N(C)C 697859718 757435420 /nfs/dbraw/zinc/43/54/20/757435420.db2.gz RNDIFPZDOOEFLH-UTUOFQBUSA-N 1 3 198.354 2.105 20 0 AEADHO C[C@H](CC[NH2+]C1CC(C)(C)C1)N(C)C 697825811 757435710 /nfs/dbraw/zinc/43/57/10/757435710.db2.gz GZOZBAHTKDEUPF-SNVBAGLBSA-N 1 3 198.354 2.105 20 0 AEADHO C[C@@H](CC[NH2+]C1CCCCC1)N(C)C 697858346 757435796 /nfs/dbraw/zinc/43/57/96/757435796.db2.gz MBHNBDVHFONJIF-NSHDSACASA-N 1 3 198.354 2.249 20 0 AEADHO CC(C)=CCC[N@@H+]1CCC[C@H](CN)C1 697620056 757435893 /nfs/dbraw/zinc/43/58/93/757435893.db2.gz USTHUCYMTIZALH-GFCCVEGCSA-N 1 3 196.338 2.013 20 0 AEADHO CC(C)=CCC[N@H+]1CCC[C@H](CN)C1 697620056 757435919 /nfs/dbraw/zinc/43/59/19/757435919.db2.gz USTHUCYMTIZALH-GFCCVEGCSA-N 1 3 196.338 2.013 20 0 AEADHO CC(C)=CCCN1CCC[C@H](C[NH3+])C1 697620056 757435931 /nfs/dbraw/zinc/43/59/31/757435931.db2.gz USTHUCYMTIZALH-GFCCVEGCSA-N 1 3 196.338 2.013 20 0 AEADHO C[C@@H](CC1CC1)[NH2+]CC[C@@H](C)N(C)C 697856764 757435974 /nfs/dbraw/zinc/43/59/74/757435974.db2.gz AKVCUAZSFFFPON-WDEREUQCSA-N 1 3 198.354 2.105 20 0 AEADHO C[C@@H](CC[NH2+][C@H]1CCC[C@H]1C)N(C)C 697859720 757436353 /nfs/dbraw/zinc/43/63/53/757436353.db2.gz RNDIFPZDOOEFLH-WOPDTQHZSA-N 1 3 198.354 2.105 20 0 AEADHO C[C@@H](CC1CC1)[NH2+]CC[C@H](C)N(C)C 697856763 757438303 /nfs/dbraw/zinc/43/83/03/757438303.db2.gz AKVCUAZSFFFPON-QWRGUYRKSA-N 1 3 198.354 2.105 20 0 AEADHO C[C@@H](CC[NH2+][C@@H]1CCC[C@H]1C)N(C)C 697859715 757438344 /nfs/dbraw/zinc/43/83/44/757438344.db2.gz RNDIFPZDOOEFLH-GRYCIOLGSA-N 1 3 198.354 2.105 20 0 AEADHO C[C@H](CC[NH2+]C1CCCCC1)N(C)C 697858345 757438609 /nfs/dbraw/zinc/43/86/09/757438609.db2.gz MBHNBDVHFONJIF-LLVKDONJSA-N 1 3 198.354 2.249 20 0 AEADHO C[C@@H](CC[NH2+]C1CC(C)(C)C1)N(C)C 697825806 757439237 /nfs/dbraw/zinc/43/92/37/757439237.db2.gz GZOZBAHTKDEUPF-JTQLQIEISA-N 1 3 198.354 2.105 20 0 AEADHO C[C@H]([NH2+]CC[C@@H](C)N(C)C)C1CCC1 697933841 757441026 /nfs/dbraw/zinc/44/10/26/757441026.db2.gz AARUDYLEJKOHFY-MNOVXSKESA-N 1 3 198.354 2.105 20 0 AEADHO C[C@@H](CC[NH2+][C@H](C)C1CCC1)N(C)C 697933846 757441807 /nfs/dbraw/zinc/44/18/07/757441807.db2.gz AARUDYLEJKOHFY-WDEREUQCSA-N 1 3 198.354 2.105 20 0 AEADHO C[C@H]([NH2+]CC[C@H](C)N(C)C)C1CCC1 697933845 757444138 /nfs/dbraw/zinc/44/41/38/757444138.db2.gz AARUDYLEJKOHFY-QWRGUYRKSA-N 1 3 198.354 2.105 20 0 AEADHO C[C@@H]([NH2+]CC[C@@H](C)N(C)C)C1CCC1 697933833 757446155 /nfs/dbraw/zinc/44/61/55/757446155.db2.gz AARUDYLEJKOHFY-GHMZBOCLSA-N 1 3 198.354 2.105 20 0 AEADHO CN(CCC[NH3+])[C@@H]1C=CCCCCC1 308466021 573936410 /nfs/dbraw/zinc/93/64/10/573936410.db2.gz XBAPESNOZVZLDN-GFCCVEGCSA-N 1 3 196.338 2.156 20 0 AEADHO CN(CCC[NH3+])[C@H]1C=CCCCCC1 308466022 573936426 /nfs/dbraw/zinc/93/64/26/573936426.db2.gz XBAPESNOZVZLDN-LBPRGKRZSA-N 1 3 196.338 2.156 20 0 AEADHO CCCCCC[NH2+][C@H]1CCC[C@@H](N)C1 86402391 572930918 /nfs/dbraw/zinc/93/09/18/572930918.db2.gz ITUQLUZEUIVBSO-NEPJUHHUSA-N 1 3 198.354 2.426 20 0 AEADHO CC1CCC([NH2+]CCC(C)(C)N)CC1 308553539 573323703 /nfs/dbraw/zinc/32/37/03/573323703.db2.gz TXDIWVXNNVXXOT-UHFFFAOYSA-N 1 3 198.354 2.282 20 0 AEADHO C[C@H]1CCCC[C@@H]1[NH2+]CCC(C)(C)N 308557284 573344592 /nfs/dbraw/zinc/34/45/92/573344592.db2.gz UTDDECYGPHQTNQ-QWRGUYRKSA-N 1 3 198.354 2.282 20 0 AEADHO C[C@@H]1CCCC[C@@H]1[NH2+]CCC(C)(C)N 308557281 573345924 /nfs/dbraw/zinc/34/59/24/573345924.db2.gz UTDDECYGPHQTNQ-MNOVXSKESA-N 1 3 198.354 2.282 20 0 AEADHO C1CCCC([NH2+][C@H]2CCNC2)CCC1 86724643 573597126 /nfs/dbraw/zinc/59/71/26/573597126.db2.gz FWAFFLCJDRPGRH-LBPRGKRZSA-N 1 3 196.338 2.051 20 0 AEADHO C1CCCC([NH2+][C@@H]2CCNC2)CCC1 86724641 573597266 /nfs/dbraw/zinc/59/72/66/573597266.db2.gz FWAFFLCJDRPGRH-GFCCVEGCSA-N 1 3 196.338 2.051 20 0 AEADHO CCCCC[C@H](C)[NH2+]CCCNC 43618954 573852821 /nfs/dbraw/zinc/85/28/21/573852821.db2.gz UITUXVBGBAAZAD-NSHDSACASA-N 1 3 186.343 2.154 20 0 AEADHO CCCC[NH2+]C[C@H]1CCN(C(C)C)C1 40621944 573879508 /nfs/dbraw/zinc/87/95/08/573879508.db2.gz CWCRDTLOQLJAPL-GFCCVEGCSA-N 1 3 198.354 2.106 20 0 AEADHO CC[C@@H](C)[C@H](C)[NH+]1CCC(NC)CC1 42556586 573969310 /nfs/dbraw/zinc/96/93/10/573969310.db2.gz ZFWZVTIWVCSBSF-MNOVXSKESA-N 1 3 198.354 2.105 20 0 AEADHO CC[C@@H](C)[C@H](C)N1CCC([NH2+]C)CC1 42556586 573969315 /nfs/dbraw/zinc/96/93/15/573969315.db2.gz ZFWZVTIWVCSBSF-MNOVXSKESA-N 1 3 198.354 2.105 20 0 AEADHO CC[C@H](C)[C@@H](C)[NH+]1CCC(NC)CC1 42556583 573969697 /nfs/dbraw/zinc/96/96/97/573969697.db2.gz ZFWZVTIWVCSBSF-WDEREUQCSA-N 1 3 198.354 2.105 20 0 AEADHO CC[C@H](C)[C@@H](C)N1CCC([NH2+]C)CC1 42556583 573969702 /nfs/dbraw/zinc/96/97/02/573969702.db2.gz ZFWZVTIWVCSBSF-WDEREUQCSA-N 1 3 198.354 2.105 20 0 AEADHO CCCCC[C@H](C)NCC[NH2+]C1CC1 42574179 573986160 /nfs/dbraw/zinc/98/61/60/573986160.db2.gz BUMKQNZJVSVNFQ-NSHDSACASA-N 1 3 198.354 2.297 20 0 AEADHO C[C@H]([NH2+]C1CC(N)C1)C1CCCCC1 87651877 573993482 /nfs/dbraw/zinc/99/34/82/573993482.db2.gz YVMKVTXMSLDZIB-GCVQQVDUSA-N 1 3 196.338 2.035 20 0 AEADHO CCCC1CCN(CCC[NH2+]C)CC1 50905111 1169092565 /nfs/dbraw/zinc/09/25/65/1169092565.db2.gz BILKDTCQCBAMAP-UHFFFAOYSA-N 1 3 198.354 2.108 20 0 AEADHO CC(C)C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 127726591 1169175016 /nfs/dbraw/zinc/17/50/16/1169175016.db2.gz LOQUMQQJQSUBLD-NEPJUHHUSA-N 1 3 198.354 2.105 20 0 AEADHO CC(C)C[NH2+][C@H]1CCC[C@H](N(C)C)C1 127726858 1169176397 /nfs/dbraw/zinc/17/63/97/1169176397.db2.gz LOQUMQQJQSUBLD-RYUDHWBXSA-N 1 3 198.354 2.105 20 0 AEADHO CC(C)C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 127727035 1169176472 /nfs/dbraw/zinc/17/64/72/1169176472.db2.gz LOQUMQQJQSUBLD-VXGBXAGGSA-N 1 3 198.354 2.105 20 0 AEADHO CC(C)C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 127727306 1169176911 /nfs/dbraw/zinc/17/69/11/1169176911.db2.gz LOQUMQQJQSUBLD-NWDGAFQWSA-N 1 3 198.354 2.105 20 0 AEADHO CCCC[NH2+]C[C@H](C)CN1CCCC1 57994446 673967030 /nfs/dbraw/zinc/96/70/30/673967030.db2.gz KHGZBGUSYYLOOE-LBPRGKRZSA-N 1 3 198.354 2.108 20 0 AEADHO CCCC[NH2+]C[C@@H](C)CN1CCCC1 57994445 673967191 /nfs/dbraw/zinc/96/71/91/673967191.db2.gz KHGZBGUSYYLOOE-GFCCVEGCSA-N 1 3 198.354 2.108 20 0 AEADHO CCCC[NH2+]C[C@H]1CCCCN(C)C1 700799513 673977949 /nfs/dbraw/zinc/97/79/49/673977949.db2.gz IPKDQBKJHIIZCO-GFCCVEGCSA-N 1 3 198.354 2.108 20 0 AEADHO CCCC[NH2+]C[C@@H]1CCCCN(C)C1 700799516 673978445 /nfs/dbraw/zinc/97/84/45/673978445.db2.gz IPKDQBKJHIIZCO-LBPRGKRZSA-N 1 3 198.354 2.108 20 0 AEADHO CCCCCC[C@H](C)[NH2+]CC1CNC1 710919785 673997160 /nfs/dbraw/zinc/99/71/60/673997160.db2.gz YUZFQZXFUQCOFC-NSHDSACASA-N 1 3 198.354 2.154 20 0 AEADHO CCCCCC[C@@H](C)[NH2+]CC1CNC1 710919782 673997862 /nfs/dbraw/zinc/99/78/62/673997862.db2.gz YUZFQZXFUQCOFC-LLVKDONJSA-N 1 3 198.354 2.154 20 0 AEADHO CCCC[NH2+][C@H]1CCC[C@H](N(C)C)C1 715570890 674021926 /nfs/dbraw/zinc/02/19/26/674021926.db2.gz OCTLDVJQABAWET-RYUDHWBXSA-N 1 3 198.354 2.249 20 0 AEADHO CCCC[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 715570893 674022046 /nfs/dbraw/zinc/02/20/46/674022046.db2.gz OCTLDVJQABAWET-VXGBXAGGSA-N 1 3 198.354 2.249 20 0 AEADHO CCCC[NH2+][C@@H]1CCC[C@H](N(C)C)C1 715570885 674022054 /nfs/dbraw/zinc/02/20/54/674022054.db2.gz OCTLDVJQABAWET-NEPJUHHUSA-N 1 3 198.354 2.249 20 0 AEADHO CCCC[NH2+][C@H]1CCC[C@@H](N(C)C)C1 715570888 674022204 /nfs/dbraw/zinc/02/22/04/674022204.db2.gz OCTLDVJQABAWET-NWDGAFQWSA-N 1 3 198.354 2.249 20 0 AEADHO CCCCC[C@H](C)[NH2+]C1CCNCC1 38040870 674064632 /nfs/dbraw/zinc/06/46/32/674064632.db2.gz YMHSXNVREQBLOK-NSHDSACASA-N 1 3 198.354 2.297 20 0 AEADHO CCCCC[C@@H](C)[NH2+]C1CCNCC1 38040869 674064637 /nfs/dbraw/zinc/06/46/37/674064637.db2.gz YMHSXNVREQBLOK-LLVKDONJSA-N 1 3 198.354 2.297 20 0 AEADHO CC[C@H]1CCC[N@@H+]1C[C@H](CN)C(C)C 251925807 1169430429 /nfs/dbraw/zinc/43/04/29/1169430429.db2.gz YUPWCENTLKWKMA-RYUDHWBXSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@H]1CCC[N@H+]1C[C@H](CN)C(C)C 251925807 1169430434 /nfs/dbraw/zinc/43/04/34/1169430434.db2.gz YUPWCENTLKWKMA-RYUDHWBXSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@@H]1CCC[N@@H+]1C[C@H](CN)C(C)C 251925804 1169432054 /nfs/dbraw/zinc/43/20/54/1169432054.db2.gz YUPWCENTLKWKMA-NWDGAFQWSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@@H]1CCC[N@H+]1C[C@H](CN)C(C)C 251925804 1169432057 /nfs/dbraw/zinc/43/20/57/1169432057.db2.gz YUPWCENTLKWKMA-NWDGAFQWSA-N 1 3 198.354 2.092 20 0 AEADHO CC1(C)CCC[C@@H](C[NH2+]CCCN)C1 309018416 1169552406 /nfs/dbraw/zinc/55/24/06/1169552406.db2.gz VQIHYJGNNQJJKG-LLVKDONJSA-N 1 3 198.354 2.141 20 0 AEADHO CC1(C)CCC[C@H](C[NH2+]CCCN)C1 309018417 1169552904 /nfs/dbraw/zinc/55/29/04/1169552904.db2.gz VQIHYJGNNQJJKG-NSHDSACASA-N 1 3 198.354 2.141 20 0 AEADHO CN(CC1=CCCC1)CC(C)(C)C[NH3+] 401044799 1169677188 /nfs/dbraw/zinc/67/71/88/1169677188.db2.gz LNQCCIXSANHRFW-UHFFFAOYSA-N 1 3 196.338 2.013 20 0 AEADHO C[C@@H]1C[NH2+]C[C@@H](N[C@H](C)C(C)(C)C)C1 401658346 1169679179 /nfs/dbraw/zinc/67/91/79/1169679179.db2.gz VZYAUTCKUWUABW-AXFHLTTASA-N 1 3 198.354 2.009 20 0 AEADHO C[C@@H]1C[NH2+]C[C@H](N[C@H](C)C(C)(C)C)C1 401658351 1169680153 /nfs/dbraw/zinc/68/01/53/1169680153.db2.gz VZYAUTCKUWUABW-HBNTYKKESA-N 1 3 198.354 2.009 20 0 AEADHO CC[C@@H]1C[N@H+](CCC(C)C)CC[C@@H]1N 157890958 566269374 /nfs/dbraw/zinc/26/93/74/566269374.db2.gz VLMJLMXZXWKZKM-NEPJUHHUSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@@H]1C[N@@H+](CCC(C)C)CC[C@@H]1N 157890958 566269390 /nfs/dbraw/zinc/26/93/90/566269390.db2.gz VLMJLMXZXWKZKM-NEPJUHHUSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@@H]1CN(CCC(C)C)CC[C@@H]1[NH3+] 157890958 566269417 /nfs/dbraw/zinc/26/94/17/566269417.db2.gz VLMJLMXZXWKZKM-NEPJUHHUSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@H]1C[N@H+](CCC(C)C)CC[C@@H]1N 157891115 566270436 /nfs/dbraw/zinc/27/04/36/566270436.db2.gz VLMJLMXZXWKZKM-RYUDHWBXSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@H]1C[N@@H+](CCC(C)C)CC[C@@H]1N 157891115 566270442 /nfs/dbraw/zinc/27/04/42/566270442.db2.gz VLMJLMXZXWKZKM-RYUDHWBXSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@H]1CN(CCC(C)C)CC[C@@H]1[NH3+] 157891115 566270446 /nfs/dbraw/zinc/27/04/46/566270446.db2.gz VLMJLMXZXWKZKM-RYUDHWBXSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)CCC[C@@H](C)[NH2+][C@H]1C[C@@H](N)C1 1575566467 1170687994 /nfs/dbraw/zinc/68/79/94/1170687994.db2.gz WKVSAOCJEUZJMJ-UTUOFQBUSA-N 1 3 198.354 2.281 20 0 AEADHO CC(C)CCC[C@H](C)[NH2+][C@H]1C[C@@H](N)C1 1575566466 1170688748 /nfs/dbraw/zinc/68/87/48/1170688748.db2.gz WKVSAOCJEUZJMJ-SDDRHHMPSA-N 1 3 198.354 2.281 20 0 AEADHO CC(C)=CCC[NH2+]CC1(CN)CCC1 1575390973 1170689229 /nfs/dbraw/zinc/68/92/29/1170689229.db2.gz CVVWFQOYAIGGTF-UHFFFAOYSA-N 1 3 196.338 2.061 20 0 AEADHO C[C@@H](CC1CCCC1)[NH2+][C@H]1C[C@H](N)C1 1575932909 1170690597 /nfs/dbraw/zinc/69/05/97/1170690597.db2.gz CNMGVPCGXVZVGK-DLOVCJGASA-N 1 3 196.338 2.035 20 0 AEADHO C[C@H](CC1CCCC1)[NH2+][C@H]1C[C@H](N)C1 1575932910 1170691635 /nfs/dbraw/zinc/69/16/35/1170691635.db2.gz CNMGVPCGXVZVGK-YUSALJHKSA-N 1 3 196.338 2.035 20 0 AEADHO CC1(C)CCC([NH2+][C@H]2C[C@@H](N)C2)CC1 1576421198 1170700210 /nfs/dbraw/zinc/70/02/10/1170700210.db2.gz JFEIKRZWGFODPB-JGZJWPJOSA-N 1 3 196.338 2.035 20 0 AEADHO C[C@H]1C[NH2+]C[C@H](N[C@H](C)C(C)(C)C)C1 1576850837 1170709290 /nfs/dbraw/zinc/70/92/90/1170709290.db2.gz VZYAUTCKUWUABW-GMTAPVOTSA-N 1 3 198.354 2.009 20 0 AEADHO C[C@H]1C[NH2+]C[C@@H](N[C@H](C)C(C)(C)C)C1 1576850838 1170710653 /nfs/dbraw/zinc/71/06/53/1170710653.db2.gz VZYAUTCKUWUABW-MXWKQRLJSA-N 1 3 198.354 2.009 20 0 AEADHO CC[C@]1(C)CCC[C@H]1[NH2+][C@@H](C)CCN 1577204813 1170712159 /nfs/dbraw/zinc/71/21/59/1170712159.db2.gz BDKZLDZCAWSZCS-QJPTWQEYSA-N 1 3 198.354 2.282 20 0 AEADHO CC[C@]1(C)CCC[C@@H]1[NH2+][C@H](C)CCN 1577204811 1170712532 /nfs/dbraw/zinc/71/25/32/1170712532.db2.gz BDKZLDZCAWSZCS-GRYCIOLGSA-N 1 3 198.354 2.282 20 0 AEADHO CC[C@]1(C)CCC[C@H]1[NH2+][C@H](C)CCN 1577204812 1170713120 /nfs/dbraw/zinc/71/31/20/1170713120.db2.gz BDKZLDZCAWSZCS-IJLUTSLNSA-N 1 3 198.354 2.282 20 0 AEADHO CC[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H](N)C2)C1 1577246729 1170713185 /nfs/dbraw/zinc/71/31/85/1170713185.db2.gz OTTGANFGLPTERS-WISYIIOYSA-N 1 3 196.338 2.035 20 0 AEADHO CC[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](N)C2)C1 1577246728 1170713299 /nfs/dbraw/zinc/71/32/99/1170713299.db2.gz OTTGANFGLPTERS-DDHJBXDOSA-N 1 3 196.338 2.035 20 0 AEADHO CC[C@H]1CCC[C@H]([NH2+][C@H]2C[C@H](N)C2)C1 1577246727 1170713945 /nfs/dbraw/zinc/71/39/45/1170713945.db2.gz OTTGANFGLPTERS-BJDJZHNGSA-N 1 3 196.338 2.035 20 0 AEADHO CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H](C)CCN 1577204814 1170713983 /nfs/dbraw/zinc/71/39/83/1170713983.db2.gz BDKZLDZCAWSZCS-SDDRHHMPSA-N 1 3 198.354 2.282 20 0 AEADHO CC[C@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](N)C2)C1 1577246730 1170714207 /nfs/dbraw/zinc/71/42/07/1170714207.db2.gz OTTGANFGLPTERS-YFKTTZPYSA-N 1 3 196.338 2.035 20 0 AEADHO CCC[C@H]([NH2+]CCCN)C(C)(C)C 1577365722 1170715578 /nfs/dbraw/zinc/71/55/78/1170715578.db2.gz MTSFOZUGDBCKSC-JTQLQIEISA-N 1 3 186.343 2.140 20 0 AEADHO CCC[C@@H]([NH2+]CCCN)C(C)(C)C 1577365723 1170715941 /nfs/dbraw/zinc/71/59/41/1170715941.db2.gz MTSFOZUGDBCKSC-SNVBAGLBSA-N 1 3 186.343 2.140 20 0 AEADHO N[C@H]1C[C@H]([NH2+]C2CCCCCCC2)C1 1580430607 1170758805 /nfs/dbraw/zinc/75/88/05/1170758805.db2.gz SGGJBJVERZWORS-UMSPYCQHSA-N 1 3 196.338 2.179 20 0 AEADHO CC[C@H](C)[N@H+](CC)C[C@H]1CCCNC1 252437775 571837805 /nfs/dbraw/zinc/83/78/05/571837805.db2.gz XNLLFNXKGHKHKU-RYUDHWBXSA-N 1 3 198.354 2.106 20 0 AEADHO CC[C@H](C)[N@@H+](CC)C[C@H]1CCCNC1 252437775 571837808 /nfs/dbraw/zinc/83/78/08/571837808.db2.gz XNLLFNXKGHKHKU-RYUDHWBXSA-N 1 3 198.354 2.106 20 0 AEADHO CC[C@@H](C)[N@H+](CC)C[C@H]1CCCNC1 252437774 571836000 /nfs/dbraw/zinc/83/60/00/571836000.db2.gz XNLLFNXKGHKHKU-NEPJUHHUSA-N 1 3 198.354 2.106 20 0 AEADHO CC[C@@H](C)[N@@H+](CC)C[C@H]1CCCNC1 252437774 571836003 /nfs/dbraw/zinc/83/60/03/571836003.db2.gz XNLLFNXKGHKHKU-NEPJUHHUSA-N 1 3 198.354 2.106 20 0 AEADHO CCCCCCN(C)C1CC[NH2+]CC1 36300881 572054159 /nfs/dbraw/zinc/05/41/59/572054159.db2.gz KEFOYBBJOSWCQM-UHFFFAOYSA-N 1 3 198.354 2.251 20 0 AEADHO CC[C@@H](C)[N@H+](CC)C[C@@H]1CCCNC1 37113417 572096117 /nfs/dbraw/zinc/09/61/17/572096117.db2.gz XNLLFNXKGHKHKU-VXGBXAGGSA-N 1 3 198.354 2.106 20 0 AEADHO CC[C@@H](C)[N@@H+](CC)C[C@@H]1CCCNC1 37113417 572096118 /nfs/dbraw/zinc/09/61/18/572096118.db2.gz XNLLFNXKGHKHKU-VXGBXAGGSA-N 1 3 198.354 2.106 20 0 AEADHO CC[C@H](C)[N@H+](CC)C[C@@H]1CCCNC1 37113418 572096522 /nfs/dbraw/zinc/09/65/22/572096522.db2.gz XNLLFNXKGHKHKU-NWDGAFQWSA-N 1 3 198.354 2.106 20 0 AEADHO CC[C@H](C)[N@@H+](CC)C[C@@H]1CCCNC1 37113418 572096524 /nfs/dbraw/zinc/09/65/24/572096524.db2.gz XNLLFNXKGHKHKU-NWDGAFQWSA-N 1 3 198.354 2.106 20 0 AEADHO CCCC[C@H](C)[NH2+]CCC(C)(C)N 82773324 572107566 /nfs/dbraw/zinc/10/75/66/572107566.db2.gz GEGCUOXTXJNCGT-JTQLQIEISA-N 1 3 186.343 2.282 20 0 AEADHO CC(C)(N)CC[NH2+]C1CCCCC1 82773032 572108156 /nfs/dbraw/zinc/10/81/56/572108156.db2.gz XSQVRXGUJVTDMM-UHFFFAOYSA-N 1 3 184.327 2.036 20 0 AEADHO CC(C)(N)CC[NH2+]C1CCCCCC1 82773027 572109610 /nfs/dbraw/zinc/10/96/10/572109610.db2.gz ISECOUCCXYUXPV-UHFFFAOYSA-N 1 3 198.354 2.426 20 0 AEADHO CCCC[C@@H](C)[NH2+]CCC(C)(C)N 82773323 572109869 /nfs/dbraw/zinc/10/98/69/572109869.db2.gz GEGCUOXTXJNCGT-SNVBAGLBSA-N 1 3 186.343 2.282 20 0 AEADHO CCCCCCN1CC[C@@H](C[NH2+]C)C1 69606265 572123077 /nfs/dbraw/zinc/12/30/77/572123077.db2.gz BSALSUWJGYJXGF-LBPRGKRZSA-N 1 3 198.354 2.108 20 0 AEADHO CCCCCCN1CC[C@H](C[NH2+]C)C1 69606264 572124291 /nfs/dbraw/zinc/12/42/91/572124291.db2.gz BSALSUWJGYJXGF-GFCCVEGCSA-N 1 3 198.354 2.108 20 0 AEADHO CCCCCCN1CC[C@@H]([NH3+])C[C@@H]1C 70020046 572165694 /nfs/dbraw/zinc/16/56/94/572165694.db2.gz MQXYLSGDJSAOLW-NWDGAFQWSA-N 1 3 198.354 2.378 20 0 AEADHO CCCCCC[N@@H+]1CC[C@@H](N)C[C@@H]1C 70020046 572165698 /nfs/dbraw/zinc/16/56/98/572165698.db2.gz MQXYLSGDJSAOLW-NWDGAFQWSA-N 1 3 198.354 2.378 20 0 AEADHO CCCCCC[N@H+]1CC[C@@H](N)C[C@@H]1C 70020046 572165700 /nfs/dbraw/zinc/16/57/00/572165700.db2.gz MQXYLSGDJSAOLW-NWDGAFQWSA-N 1 3 198.354 2.378 20 0 AEADHO CCCCCCN1CC[C@H]([NH3+])[C@H](C)C1 70020040 572166519 /nfs/dbraw/zinc/16/65/19/572166519.db2.gz YLCNGZDWDRBZSH-NEPJUHHUSA-N 1 3 198.354 2.236 20 0 AEADHO CCCCCCN1CC[C@H]([NH3+])C[C@@H]1C 70020044 572167063 /nfs/dbraw/zinc/16/70/63/572167063.db2.gz MQXYLSGDJSAOLW-RYUDHWBXSA-N 1 3 198.354 2.378 20 0 AEADHO CCCCCC[N@@H+]1CC[C@H](N)C[C@@H]1C 70020044 572167065 /nfs/dbraw/zinc/16/70/65/572167065.db2.gz MQXYLSGDJSAOLW-RYUDHWBXSA-N 1 3 198.354 2.378 20 0 AEADHO CCCCCC[N@H+]1CC[C@H](N)C[C@@H]1C 70020044 572167068 /nfs/dbraw/zinc/16/70/68/572167068.db2.gz MQXYLSGDJSAOLW-RYUDHWBXSA-N 1 3 198.354 2.378 20 0 AEADHO CCCCCCN1CC[C@@H]([NH3+])[C@H](C)C1 70020041 572167547 /nfs/dbraw/zinc/16/75/47/572167547.db2.gz YLCNGZDWDRBZSH-VXGBXAGGSA-N 1 3 198.354 2.236 20 0 AEADHO CCC(CC)(CC)NC[C@H]1CCC[NH2+]1 83388676 572207627 /nfs/dbraw/zinc/20/76/27/572207627.db2.gz GIAFHHPFXKGNNC-LLVKDONJSA-N 1 3 198.354 2.297 20 0 AEADHO CCC(CC)(CC)[NH2+]C[C@H]1CCCN1 83388676 572207628 /nfs/dbraw/zinc/20/76/28/572207628.db2.gz GIAFHHPFXKGNNC-LLVKDONJSA-N 1 3 198.354 2.297 20 0 AEADHO CCCCCC[N@@H+]1CCC[C@H](CN)C1 20519811 572224384 /nfs/dbraw/zinc/22/43/84/572224384.db2.gz WGLRJFFUQOTKJG-GFCCVEGCSA-N 1 3 198.354 2.237 20 0 AEADHO CCCCCC[N@H+]1CCC[C@H](CN)C1 20519811 572224386 /nfs/dbraw/zinc/22/43/86/572224386.db2.gz WGLRJFFUQOTKJG-GFCCVEGCSA-N 1 3 198.354 2.237 20 0 AEADHO CCCCCCN1CCC[C@H](C[NH3+])C1 20519811 572224388 /nfs/dbraw/zinc/22/43/88/572224388.db2.gz WGLRJFFUQOTKJG-GFCCVEGCSA-N 1 3 198.354 2.237 20 0 AEADHO CCCCCC[N@@H+]1CCC[C@@H](CN)C1 20519810 572226995 /nfs/dbraw/zinc/22/69/95/572226995.db2.gz WGLRJFFUQOTKJG-LBPRGKRZSA-N 1 3 198.354 2.237 20 0 AEADHO CCCCCC[N@H+]1CCC[C@@H](CN)C1 20519810 572226997 /nfs/dbraw/zinc/22/69/97/572226997.db2.gz WGLRJFFUQOTKJG-LBPRGKRZSA-N 1 3 198.354 2.237 20 0 AEADHO CCCCCCN1CCC[C@@H](C[NH3+])C1 20519810 572226999 /nfs/dbraw/zinc/22/69/99/572226999.db2.gz WGLRJFFUQOTKJG-LBPRGKRZSA-N 1 3 198.354 2.237 20 0 AEADHO CC[C@H](C)[C@@H](C)[N@@H+]1CCC[C@H](CN)C1 44527545 572242257 /nfs/dbraw/zinc/24/22/57/572242257.db2.gz XQNPILMPLWAGLS-QJPTWQEYSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@H](C)[C@@H](C)[N@H+]1CCC[C@H](CN)C1 44527545 572242258 /nfs/dbraw/zinc/24/22/58/572242258.db2.gz XQNPILMPLWAGLS-QJPTWQEYSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@H](C)[C@H](C)[N@@H+]1CCC[C@H](CN)C1 44527547 572242940 /nfs/dbraw/zinc/24/29/40/572242940.db2.gz XQNPILMPLWAGLS-SDDRHHMPSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@H](C)[C@H](C)[N@H+]1CCC[C@H](CN)C1 44527547 572242942 /nfs/dbraw/zinc/24/29/42/572242942.db2.gz XQNPILMPLWAGLS-SDDRHHMPSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@@H]1CCC[N@@H+]1C[C@@H](CN)C(C)C 83607224 572346176 /nfs/dbraw/zinc/34/61/76/572346176.db2.gz YUPWCENTLKWKMA-VXGBXAGGSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@@H]1CCC[N@H+]1C[C@@H](CN)C(C)C 83607224 572346178 /nfs/dbraw/zinc/34/61/78/572346178.db2.gz YUPWCENTLKWKMA-VXGBXAGGSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@H]1CCC[N@@H+]1C[C@@H](CN)C(C)C 83607226 572347347 /nfs/dbraw/zinc/34/73/47/572347347.db2.gz YUPWCENTLKWKMA-NEPJUHHUSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@H]1CCC[N@H+]1C[C@@H](CN)C(C)C 83607226 572347351 /nfs/dbraw/zinc/34/73/51/572347351.db2.gz YUPWCENTLKWKMA-NEPJUHHUSA-N 1 3 198.354 2.092 20 0 AEADHO CCCC[NH2+]C[C@@H]1CCN(CCC)C1 76453481 572347702 /nfs/dbraw/zinc/34/77/02/572347702.db2.gz LFAAGZANPNKUMF-LBPRGKRZSA-N 1 3 198.354 2.108 20 0 AEADHO CCCC[NH2+]C[C@H]1CCN(CCC)C1 76453486 572348421 /nfs/dbraw/zinc/34/84/21/572348421.db2.gz LFAAGZANPNKUMF-GFCCVEGCSA-N 1 3 198.354 2.108 20 0 AEADHO CCCCCC[NH2+][C@@H]1CCC[C@@H]1CN 84218161 572514990 /nfs/dbraw/zinc/51/49/90/572514990.db2.gz BMBNTUWLZUVHHN-VXGBXAGGSA-N 1 3 198.354 2.284 20 0 AEADHO CCCCCC[NH2+][C@@H]1CCC[C@H]1CN 84218166 572515705 /nfs/dbraw/zinc/51/57/05/572515705.db2.gz BMBNTUWLZUVHHN-NWDGAFQWSA-N 1 3 198.354 2.284 20 0 AEADHO CCCCCC[NH2+][C@H]1CCC[C@H]1CN 84218169 572516097 /nfs/dbraw/zinc/51/60/97/572516097.db2.gz BMBNTUWLZUVHHN-RYUDHWBXSA-N 1 3 198.354 2.284 20 0 AEADHO CCCCCC[NH2+][C@H]1CCC[C@@H]1CN 84218164 572516170 /nfs/dbraw/zinc/51/61/70/572516170.db2.gz BMBNTUWLZUVHHN-NEPJUHHUSA-N 1 3 198.354 2.284 20 0 AEADHO NC1CC([NH2+]CCC2CCCCC2)C1 87651631 572640272 /nfs/dbraw/zinc/64/02/72/572640272.db2.gz PNXNSIGOTWHPAO-UHFFFAOYSA-N 1 3 196.338 2.036 20 0 AEADHO [NH3+]C1CC(NCCC2CCCCC2)C1 87651631 572640275 /nfs/dbraw/zinc/64/02/75/572640275.db2.gz PNXNSIGOTWHPAO-UHFFFAOYSA-N 1 3 196.338 2.036 20 0 AEADHO CCCCC[C@@H](C)[NH2+]C[C@@H](C)CN 54345855 572683247 /nfs/dbraw/zinc/68/32/47/572683247.db2.gz MVVLEWJDNIXVRE-WDEREUQCSA-N 1 3 186.343 2.140 20 0 AEADHO CNC[C@H](C)C[NH2+]C1CCCCCC1 86070436 572854383 /nfs/dbraw/zinc/85/43/83/572854383.db2.gz MUAUNCDYWVEEOR-NSHDSACASA-N 1 3 198.354 2.154 20 0 AEADHO CNC[C@@H](C)C[NH2+]C1CCCCCC1 86070437 572854497 /nfs/dbraw/zinc/85/44/97/572854497.db2.gz MUAUNCDYWVEEOR-LLVKDONJSA-N 1 3 198.354 2.154 20 0 AEADHO CCCC[C@@H](C)[NH2+]C[C@H](C)CNC 86070657 572864122 /nfs/dbraw/zinc/86/41/22/572864122.db2.gz VSEMMAUBZMKRGV-GHMZBOCLSA-N 1 3 186.343 2.010 20 0 AEADHO CCCC[C@H](C)[NH2+]C[C@H](C)CNC 86070660 572864210 /nfs/dbraw/zinc/86/42/10/572864210.db2.gz VSEMMAUBZMKRGV-MNOVXSKESA-N 1 3 186.343 2.010 20 0 AEADHO CCCC[C@H](C)[NH2+]C[C@@H](C)CNC 86070654 572865552 /nfs/dbraw/zinc/86/55/52/572865552.db2.gz VSEMMAUBZMKRGV-QWRGUYRKSA-N 1 3 186.343 2.010 20 0 AEADHO CCCC[C@@H](C)[NH2+]C[C@@H](C)CNC 86070653 572866145 /nfs/dbraw/zinc/86/61/45/572866145.db2.gz VSEMMAUBZMKRGV-WDEREUQCSA-N 1 3 186.343 2.010 20 0 AEADHO CCCCCC[NH2+][C@@H]1CCC[C@H](N)C1 86402386 572931313 /nfs/dbraw/zinc/93/13/13/572931313.db2.gz ITUQLUZEUIVBSO-NWDGAFQWSA-N 1 3 198.354 2.426 20 0 AEADHO CCCCCC[NH2+][C@H]1CCC[C@H](N)C1 86402387 572932448 /nfs/dbraw/zinc/93/24/48/572932448.db2.gz ITUQLUZEUIVBSO-RYUDHWBXSA-N 1 3 198.354 2.426 20 0 AEADHO CCCCCC[NH2+][C@@H]1CCC[C@@H](N)C1 86402389 572932723 /nfs/dbraw/zinc/93/27/23/572932723.db2.gz ITUQLUZEUIVBSO-VXGBXAGGSA-N 1 3 198.354 2.426 20 0 AEADHO CC[C@@H](C)[C@@H](C)[NH2+]CCC(C)(C)N 308206693 572936289 /nfs/dbraw/zinc/93/62/89/572936289.db2.gz IMTUEAILTCOWMO-NXEZZACHSA-N 1 3 186.343 2.138 20 0 AEADHO CC[C@@H](C)[C@H](C)[NH2+]CCC(C)(C)N 308206699 572936420 /nfs/dbraw/zinc/93/64/20/572936420.db2.gz IMTUEAILTCOWMO-ZJUUUORDSA-N 1 3 186.343 2.138 20 0 AEADHO CC[C@H](C)[C@H](C)[NH2+]CCC(C)(C)N 308206695 572936393 /nfs/dbraw/zinc/93/63/93/572936393.db2.gz IMTUEAILTCOWMO-UWVGGRQHSA-N 1 3 186.343 2.138 20 0 AEADHO CC[C@H](C)[C@@H](C)[NH2+]CCC(C)(C)N 308206697 572936735 /nfs/dbraw/zinc/93/67/35/572936735.db2.gz IMTUEAILTCOWMO-VHSXEESVSA-N 1 3 186.343 2.138 20 0 AEADHO CCCCCC[C@H](C)[NH2+][C@H]1CCNC1 86727826 572974217 /nfs/dbraw/zinc/97/42/17/572974217.db2.gz IEROKPHGWLJMCC-RYUDHWBXSA-N 1 3 198.354 2.297 20 0 AEADHO CCCCCC[C@@H](C)[NH2+][C@@H]1CCNC1 86727820 572974475 /nfs/dbraw/zinc/97/44/75/572974475.db2.gz IEROKPHGWLJMCC-VXGBXAGGSA-N 1 3 198.354 2.297 20 0 AEADHO CCCCCC[C@H](C)[NH2+][C@@H]1CCNC1 86727821 572974699 /nfs/dbraw/zinc/97/46/99/572974699.db2.gz IEROKPHGWLJMCC-NWDGAFQWSA-N 1 3 198.354 2.297 20 0 AEADHO CCCCCC[C@@H](C)[NH2+][C@H]1CCNC1 86727823 572975106 /nfs/dbraw/zinc/97/51/06/572975106.db2.gz IEROKPHGWLJMCC-NEPJUHHUSA-N 1 3 198.354 2.297 20 0 AEADHO C[C@H]1CCC[C@@H]([NH2+]CCC(C)(C)N)C1 308473113 573003025 /nfs/dbraw/zinc/00/30/25/573003025.db2.gz AGYQASIOPKFPBP-WDEREUQCSA-N 1 3 198.354 2.282 20 0 AEADHO C[C@@H]([NH2+]CCC(C)(C)N)C(C)(C)C 308220139 573003943 /nfs/dbraw/zinc/00/39/43/573003943.db2.gz NXJHKSSKFWJNHR-SECBINFHSA-N 1 3 186.343 2.138 20 0 AEADHO C[C@@H]1CCC[C@@H]([NH2+]CCC(C)(C)N)C1 308473107 573004075 /nfs/dbraw/zinc/00/40/75/573004075.db2.gz AGYQASIOPKFPBP-GHMZBOCLSA-N 1 3 198.354 2.282 20 0 AEADHO C[C@H]1CCC[C@H]([NH2+]CCC(C)(C)N)C1 308473111 573005558 /nfs/dbraw/zinc/00/55/58/573005558.db2.gz AGYQASIOPKFPBP-QWRGUYRKSA-N 1 3 198.354 2.282 20 0 AEADHO C[C@@H]1CCC[C@H]([NH2+]CCC(C)(C)N)C1 308473109 573006960 /nfs/dbraw/zinc/00/69/60/573006960.db2.gz AGYQASIOPKFPBP-MNOVXSKESA-N 1 3 198.354 2.282 20 0 AEADHO CC(C)C[C@H](C)[NH2+]CCC(C)(C)N 308221287 573008395 /nfs/dbraw/zinc/00/83/95/573008395.db2.gz OHEWWTXRHXBBOT-JTQLQIEISA-N 1 3 186.343 2.138 20 0 AEADHO CC(C)C[C@@H](C)[NH2+]CCC(C)(C)N 308221296 573009658 /nfs/dbraw/zinc/00/96/58/573009658.db2.gz OHEWWTXRHXBBOT-SNVBAGLBSA-N 1 3 186.343 2.138 20 0 AEADHO CCC[C@@H](CC)[NH2+]CCC(C)(C)N 308233747 573039495 /nfs/dbraw/zinc/03/94/95/573039495.db2.gz UWNHHOPIOUYXTG-SNVBAGLBSA-N 1 3 186.343 2.282 20 0 AEADHO C[C@H]([NH2+]CCC(C)(C)N)C1CCCC1 308551397 573316107 /nfs/dbraw/zinc/31/61/07/573316107.db2.gz SCGLTYLBMLPTLR-JTQLQIEISA-N 1 3 198.354 2.282 20 0 AEADHO C[C@@H]([NH2+]CCC(C)(C)N)C1CCCC1 308551398 573320006 /nfs/dbraw/zinc/32/00/06/573320006.db2.gz SCGLTYLBMLPTLR-SNVBAGLBSA-N 1 3 198.354 2.282 20 0 AEADHO C[C@H]1CCCC[C@H]1[NH2+]CCC(C)(C)N 308557286 573345127 /nfs/dbraw/zinc/34/51/27/573345127.db2.gz UTDDECYGPHQTNQ-WDEREUQCSA-N 1 3 198.354 2.282 20 0 AEADHO CC(C)(C)CC[NH2+]CCC(C)(C)N 258767860 573541248 /nfs/dbraw/zinc/54/12/48/573541248.db2.gz AJKCWLFEBKLQJG-UHFFFAOYSA-N 1 3 186.343 2.140 20 0 AEADHO CCCC1CC[NH+](CC(C)(C)N)CC1 50906611 573577670 /nfs/dbraw/zinc/57/76/70/573577670.db2.gz RILCUXSLZHKRHX-UHFFFAOYSA-N 1 3 198.354 2.236 20 0 AEADHO CCCCC[C@H](C)N[C@H]1CCC[NH2+]C1 43325629 573644191 /nfs/dbraw/zinc/64/41/91/573644191.db2.gz SKSRTEYEDAKYNF-RYUDHWBXSA-N 1 3 198.354 2.297 20 0 AEADHO CCCCC[C@H](C)N[C@@H]1CCC[NH2+]C1 43325626 573645371 /nfs/dbraw/zinc/64/53/71/573645371.db2.gz SKSRTEYEDAKYNF-NWDGAFQWSA-N 1 3 198.354 2.297 20 0 AEADHO CCCCC[C@@H](C)N[C@@H]1CCC[NH2+]C1 43325624 573648623 /nfs/dbraw/zinc/64/86/23/573648623.db2.gz SKSRTEYEDAKYNF-VXGBXAGGSA-N 1 3 198.354 2.297 20 0 AEADHO CCCCC[C@@H](C)N[C@H]1CCC[NH2+]C1 43325627 573649505 /nfs/dbraw/zinc/64/95/05/573649505.db2.gz SKSRTEYEDAKYNF-NEPJUHHUSA-N 1 3 198.354 2.297 20 0 AEADHO CC(C)(N)CC[NH2+]CC1CCCCC1 258970522 573848074 /nfs/dbraw/zinc/84/80/74/573848074.db2.gz UAMIJIDZBYRRJN-UHFFFAOYSA-N 1 3 198.354 2.284 20 0 AEADHO CCCCC[C@@H](C)[NH2+]CCCNC 43618953 573855337 /nfs/dbraw/zinc/85/53/37/573855337.db2.gz UITUXVBGBAAZAD-LLVKDONJSA-N 1 3 186.343 2.154 20 0 AEADHO CCCCCCN(C)CCC[NH2+]C 80827747 573911790 /nfs/dbraw/zinc/91/17/90/573911790.db2.gz OVTDCYFFEGLIEY-UHFFFAOYSA-N 1 3 186.343 2.108 20 0 AEADHO CCCCCC[N@H+](C)CCCNC 80827747 573911793 /nfs/dbraw/zinc/91/17/93/573911793.db2.gz OVTDCYFFEGLIEY-UHFFFAOYSA-N 1 3 186.343 2.108 20 0 AEADHO CCCCCC[N@@H+](C)CCCNC 80827747 573911797 /nfs/dbraw/zinc/91/17/97/573911797.db2.gz OVTDCYFFEGLIEY-UHFFFAOYSA-N 1 3 186.343 2.108 20 0 AEADHO CC(C)CCC[NH2+]CCC(C)(C)N 259024918 573945341 /nfs/dbraw/zinc/94/53/41/573945341.db2.gz ZBGSSMRHNJIXAY-UHFFFAOYSA-N 1 3 186.343 2.140 20 0 AEADHO CC[C@H](C)[C@H](C)[NH+]1CCC(NC)CC1 42556589 573970168 /nfs/dbraw/zinc/97/01/68/573970168.db2.gz ZFWZVTIWVCSBSF-QWRGUYRKSA-N 1 3 198.354 2.105 20 0 AEADHO CC[C@H](C)[C@H](C)N1CCC([NH2+]C)CC1 42556589 573970172 /nfs/dbraw/zinc/97/01/72/573970172.db2.gz ZFWZVTIWVCSBSF-QWRGUYRKSA-N 1 3 198.354 2.105 20 0 AEADHO CC[C@@H](C)[C@@H](C)[NH+]1CCC(NC)CC1 42556580 573970414 /nfs/dbraw/zinc/97/04/14/573970414.db2.gz ZFWZVTIWVCSBSF-GHMZBOCLSA-N 1 3 198.354 2.105 20 0 AEADHO CC[C@@H](C)[C@@H](C)N1CCC([NH2+]C)CC1 42556580 573970418 /nfs/dbraw/zinc/97/04/18/573970418.db2.gz ZFWZVTIWVCSBSF-GHMZBOCLSA-N 1 3 198.354 2.105 20 0 AEADHO CCCCC[C@H](C)[NH2+]CC[C@H](C)N 42574173 573983261 /nfs/dbraw/zinc/98/32/61/573983261.db2.gz ASWBIANPEZPQCZ-QWRGUYRKSA-N 1 3 186.343 2.282 20 0 AEADHO C[C@@H]([NH2+]C1CC(N)C1)C1CCCCC1 87651878 573996476 /nfs/dbraw/zinc/99/64/76/573996476.db2.gz YVMKVTXMSLDZIB-OIKLOGQESA-N 1 3 196.338 2.035 20 0 AEADHO CCCC[N@H+](CC)C[C@@H]1CCCNC1 19422752 486712304 /nfs/dbraw/zinc/71/23/04/486712304.db2.gz MSIIZAZBYRQGQL-GFCCVEGCSA-N 1 3 198.354 2.108 20 0 AEADHO CCCC[N@@H+](CC)C[C@@H]1CCCNC1 19422752 486712307 /nfs/dbraw/zinc/71/23/07/486712307.db2.gz MSIIZAZBYRQGQL-GFCCVEGCSA-N 1 3 198.354 2.108 20 0 AEADHO CCCC[N@H+](CC)C[C@H]1CCCNC1 19422754 486712327 /nfs/dbraw/zinc/71/23/27/486712327.db2.gz MSIIZAZBYRQGQL-LBPRGKRZSA-N 1 3 198.354 2.108 20 0 AEADHO CCCC[N@@H+](CC)C[C@H]1CCCNC1 19422754 486712332 /nfs/dbraw/zinc/71/23/32/486712332.db2.gz MSIIZAZBYRQGQL-LBPRGKRZSA-N 1 3 198.354 2.108 20 0 AEADHO CC(C)CC[C@@H](C)N[C@@H]1CCC[NH2+]C1 32509022 486715641 /nfs/dbraw/zinc/71/56/41/486715641.db2.gz PZSDVMAKUFYWCX-VXGBXAGGSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)CC[C@H](C)N[C@H]1CCC[NH2+]C1 32509026 486715675 /nfs/dbraw/zinc/71/56/75/486715675.db2.gz PZSDVMAKUFYWCX-RYUDHWBXSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)CC[C@@H](C)N[C@H]1CCC[NH2+]C1 32509024 486715689 /nfs/dbraw/zinc/71/56/89/486715689.db2.gz PZSDVMAKUFYWCX-NEPJUHHUSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)CC[C@H](C)N[C@@H]1CCC[NH2+]C1 32509023 486715721 /nfs/dbraw/zinc/71/57/21/486715721.db2.gz PZSDVMAKUFYWCX-NWDGAFQWSA-N 1 3 198.354 2.153 20 0 AEADHO CCCCC[N@H+](CCCN)C(C)C 36731972 486717163 /nfs/dbraw/zinc/71/71/63/486717163.db2.gz GDRHJDSLGVNDIG-UHFFFAOYSA-N 1 3 186.343 2.236 20 0 AEADHO CCCCC[N@@H+](CCCN)C(C)C 36731972 486717167 /nfs/dbraw/zinc/71/71/67/486717167.db2.gz GDRHJDSLGVNDIG-UHFFFAOYSA-N 1 3 186.343 2.236 20 0 AEADHO CCC(CC)C[N@H+](CC)CCCN 36198943 486717304 /nfs/dbraw/zinc/71/73/04/486717304.db2.gz WOPOFLXPKKTING-UHFFFAOYSA-N 1 3 186.343 2.093 20 0 AEADHO CCC(CC)C[N@@H+](CC)CCCN 36198943 486717307 /nfs/dbraw/zinc/71/73/07/486717307.db2.gz WOPOFLXPKKTING-UHFFFAOYSA-N 1 3 186.343 2.093 20 0 AEADHO CC(C)C[N@H+](CCCN)C1CCCC1 36883471 486717778 /nfs/dbraw/zinc/71/77/78/486717778.db2.gz WDEOOFHODVREAQ-UHFFFAOYSA-N 1 3 198.354 2.236 20 0 AEADHO CC(C)C[N@@H+](CCCN)C1CCCC1 36883471 486717782 /nfs/dbraw/zinc/71/77/82/486717782.db2.gz WDEOOFHODVREAQ-UHFFFAOYSA-N 1 3 198.354 2.236 20 0 AEADHO CNCCC[N@H+](C)C1CCCCCC1 42409650 486725615 /nfs/dbraw/zinc/72/56/15/486725615.db2.gz PBEXQVSLIIOLJY-UHFFFAOYSA-N 1 3 198.354 2.251 20 0 AEADHO CNCCC[N@@H+](C)C1CCCCCC1 42409650 486725619 /nfs/dbraw/zinc/72/56/19/486725619.db2.gz PBEXQVSLIIOLJY-UHFFFAOYSA-N 1 3 198.354 2.251 20 0 AEADHO CNCCC[N@H+](C)[C@H]1CCC[C@H](C)C1 42494590 486726297 /nfs/dbraw/zinc/72/62/97/486726297.db2.gz NPSGKSIUMYUBHS-RYUDHWBXSA-N 1 3 198.354 2.106 20 0 AEADHO CNCCC[N@@H+](C)[C@H]1CCC[C@H](C)C1 42494590 486726302 /nfs/dbraw/zinc/72/63/02/486726302.db2.gz NPSGKSIUMYUBHS-RYUDHWBXSA-N 1 3 198.354 2.106 20 0 AEADHO CNCCC[N@H+](C)[C@H]1CCC[C@@H](C)C1 42494588 486726713 /nfs/dbraw/zinc/72/67/13/486726713.db2.gz NPSGKSIUMYUBHS-NEPJUHHUSA-N 1 3 198.354 2.106 20 0 AEADHO CNCCC[N@@H+](C)[C@H]1CCC[C@@H](C)C1 42494588 486726720 /nfs/dbraw/zinc/72/67/20/486726720.db2.gz NPSGKSIUMYUBHS-NEPJUHHUSA-N 1 3 198.354 2.106 20 0 AEADHO CCC1CCC([N@H+](C)CCCN)CC1 42515296 486726882 /nfs/dbraw/zinc/72/68/82/486726882.db2.gz LERHJHUECKYKFH-UHFFFAOYSA-N 1 3 198.354 2.236 20 0 AEADHO CCC1CCC([N@@H+](C)CCCN)CC1 42515296 486726889 /nfs/dbraw/zinc/72/68/89/486726889.db2.gz LERHJHUECKYKFH-UHFFFAOYSA-N 1 3 198.354 2.236 20 0 AEADHO CNCCC[N@H+](C)CC1CCCCC1 42494556 486727296 /nfs/dbraw/zinc/72/72/96/486727296.db2.gz HCKQBPRTUQEGLI-UHFFFAOYSA-N 1 3 198.354 2.108 20 0 AEADHO CNCCC[N@H+](C)[C@@H]1CCC[C@@H](C)C1 42494592 486727277 /nfs/dbraw/zinc/72/72/77/486727277.db2.gz NPSGKSIUMYUBHS-VXGBXAGGSA-N 1 3 198.354 2.106 20 0 AEADHO CNCCC[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 42494592 486727280 /nfs/dbraw/zinc/72/72/80/486727280.db2.gz NPSGKSIUMYUBHS-VXGBXAGGSA-N 1 3 198.354 2.106 20 0 AEADHO CNCCC[N@@H+](C)CC1CCCCC1 42494556 486727298 /nfs/dbraw/zinc/72/72/98/486727298.db2.gz HCKQBPRTUQEGLI-UHFFFAOYSA-N 1 3 198.354 2.108 20 0 AEADHO C[NH2+]CCCN(C)CC1CCCCC1 42494556 486727302 /nfs/dbraw/zinc/72/73/02/486727302.db2.gz HCKQBPRTUQEGLI-UHFFFAOYSA-N 1 3 198.354 2.108 20 0 AEADHO CNCCC[N@H+](C)[C@@H]1CCC[C@H](C)C1 42494594 486727522 /nfs/dbraw/zinc/72/75/22/486727522.db2.gz NPSGKSIUMYUBHS-NWDGAFQWSA-N 1 3 198.354 2.106 20 0 AEADHO CNCCC[N@@H+](C)[C@@H]1CCC[C@H](C)C1 42494594 486727523 /nfs/dbraw/zinc/72/75/23/486727523.db2.gz NPSGKSIUMYUBHS-NWDGAFQWSA-N 1 3 198.354 2.106 20 0 AEADHO CCC[NH2+]CCNC1CCCCCC1 44651718 486729737 /nfs/dbraw/zinc/72/97/37/486729737.db2.gz DNASORMFGUWTQV-UHFFFAOYSA-N 1 3 198.354 2.298 20 0 AEADHO CC(C)N(C)CCC[NH2+]C1CCCC1 47888352 486730670 /nfs/dbraw/zinc/73/06/70/486730670.db2.gz QOXYSPBRVBJOQG-UHFFFAOYSA-N 1 3 198.354 2.249 20 0 AEADHO C[C@@H](c1ccccc1)N(C)CCC[NH3+] 49806946 486734682 /nfs/dbraw/zinc/73/46/82/486734682.db2.gz SITMXHFGLRQLCD-NSHDSACASA-N 1 3 192.306 2.028 20 0 AEADHO C[C@H](c1ccccc1)N(C)CCC[NH3+] 49806947 486735030 /nfs/dbraw/zinc/73/50/30/486735030.db2.gz SITMXHFGLRQLCD-LLVKDONJSA-N 1 3 192.306 2.028 20 0 AEADHO CCCC[C@@H](C)NC[C@H]1CCCC[NH2+]1 50889949 486738830 /nfs/dbraw/zinc/73/88/30/486738830.db2.gz GWTJGUOPLLYOIW-VXGBXAGGSA-N 1 3 198.354 2.297 20 0 AEADHO CCCC[C@@H](C)NC[C@@H]1CCCC[NH2+]1 50889947 486738923 /nfs/dbraw/zinc/73/89/23/486738923.db2.gz GWTJGUOPLLYOIW-NEPJUHHUSA-N 1 3 198.354 2.297 20 0 AEADHO CCCC[C@@H](C)[NH2+]C[C@@H]1CCCNC1 50889961 486738943 /nfs/dbraw/zinc/73/89/43/486738943.db2.gz WFOBISUSGBXQDX-VXGBXAGGSA-N 1 3 198.354 2.154 20 0 AEADHO CCCC[C@@H](C)[NH2+]C[C@H]1CCCNC1 50889963 486739010 /nfs/dbraw/zinc/73/90/10/486739010.db2.gz WFOBISUSGBXQDX-NEPJUHHUSA-N 1 3 198.354 2.154 20 0 AEADHO CCCC[C@H](C)[NH2+]C[C@@H]1CCCNC1 50889962 486739079 /nfs/dbraw/zinc/73/90/79/486739079.db2.gz WFOBISUSGBXQDX-NWDGAFQWSA-N 1 3 198.354 2.154 20 0 AEADHO CCCC[C@H](C)[NH2+]C[C@H]1CCCNC1 50889964 486739219 /nfs/dbraw/zinc/73/92/19/486739219.db2.gz WFOBISUSGBXQDX-RYUDHWBXSA-N 1 3 198.354 2.154 20 0 AEADHO CCCC[C@H](C)[NH2+]CCCNC1CC1 50889978 486739233 /nfs/dbraw/zinc/73/92/33/486739233.db2.gz ALMBUWNWXYJPFZ-NSHDSACASA-N 1 3 198.354 2.297 20 0 AEADHO CCCC[C@H](C)NC[C@H]1CCCC[NH2+]1 50889950 486739277 /nfs/dbraw/zinc/73/92/77/486739277.db2.gz GWTJGUOPLLYOIW-NWDGAFQWSA-N 1 3 198.354 2.297 20 0 AEADHO CCCC[C@@H](C)[NH2+]CCCNC1CC1 50889977 486739493 /nfs/dbraw/zinc/73/94/93/486739493.db2.gz ALMBUWNWXYJPFZ-LLVKDONJSA-N 1 3 198.354 2.297 20 0 AEADHO CCCC[C@H](C)NC[C@@H]1CCCC[NH2+]1 50889948 486739545 /nfs/dbraw/zinc/73/95/45/486739545.db2.gz GWTJGUOPLLYOIW-RYUDHWBXSA-N 1 3 198.354 2.297 20 0 AEADHO CC(C)[NH2+]CC[C@H](C)N1CCCCC1 52421348 486746401 /nfs/dbraw/zinc/74/64/01/486746401.db2.gz ZEOLPZMIDUBKHV-LBPRGKRZSA-N 1 3 198.354 2.249 20 0 AEADHO CC(C)[NH2+]CC[C@@H](C)N1CCCCC1 52421346 486746623 /nfs/dbraw/zinc/74/66/23/486746623.db2.gz ZEOLPZMIDUBKHV-GFCCVEGCSA-N 1 3 198.354 2.249 20 0 AEADHO CCC[NH2+]CCN[C@H]1CCC[C@H](C)C1 53388044 486748915 /nfs/dbraw/zinc/74/89/15/486748915.db2.gz OLGVGDKCJNUKKD-RYUDHWBXSA-N 1 3 198.354 2.154 20 0 AEADHO CCC[NH2+]CCN[C@@H]1CCC[C@@H](C)C1 53388045 486749025 /nfs/dbraw/zinc/74/90/25/486749025.db2.gz OLGVGDKCJNUKKD-VXGBXAGGSA-N 1 3 198.354 2.154 20 0 AEADHO CCC[NH2+]CCN[C@H]1CCCC[C@@H]1C 53388001 486749088 /nfs/dbraw/zinc/74/90/88/486749088.db2.gz CHIKOYOXSQIZBM-RYUDHWBXSA-N 1 3 198.354 2.154 20 0 AEADHO CCC[NH2+]CCN[C@H]1CCC[C@@H](C)C1 53388047 486749204 /nfs/dbraw/zinc/74/92/04/486749204.db2.gz OLGVGDKCJNUKKD-NEPJUHHUSA-N 1 3 198.354 2.154 20 0 AEADHO CCC[NH2+]CCNCC1CCCCC1 53388037 486749377 /nfs/dbraw/zinc/74/93/77/486749377.db2.gz VJFVLUHBKYPZCQ-UHFFFAOYSA-N 1 3 198.354 2.156 20 0 AEADHO CCC[NH2+]CCN[C@@H]1CCCC[C@H]1C 53388003 486749556 /nfs/dbraw/zinc/74/95/56/486749556.db2.gz CHIKOYOXSQIZBM-VXGBXAGGSA-N 1 3 198.354 2.154 20 0 AEADHO CCC[NH2+]CCNC1CCC(C)CC1 53387992 486749708 /nfs/dbraw/zinc/74/97/08/486749708.db2.gz BQZFBGJMDKCIHG-UHFFFAOYSA-N 1 3 198.354 2.154 20 0 AEADHO CCC[NH2+]CCN[C@H]1CCCC[C@H]1C 53388005 486749828 /nfs/dbraw/zinc/74/98/28/486749828.db2.gz CHIKOYOXSQIZBM-NEPJUHHUSA-N 1 3 198.354 2.154 20 0 AEADHO CCC[NH2+]CCN[C@@H]1CCC[C@H](C)C1 53388042 486749990 /nfs/dbraw/zinc/74/99/90/486749990.db2.gz OLGVGDKCJNUKKD-NWDGAFQWSA-N 1 3 198.354 2.154 20 0 AEADHO CCC[NH2+]CCN[C@@H]1CCCC[C@@H]1C 53387999 486750414 /nfs/dbraw/zinc/75/04/14/486750414.db2.gz CHIKOYOXSQIZBM-NWDGAFQWSA-N 1 3 198.354 2.154 20 0 AEADHO CC(C)[NH2+]C[C@@H]1CCCN(C(C)C)C1 53655386 486751937 /nfs/dbraw/zinc/75/19/37/486751937.db2.gz MXZVOKWWMUSPCJ-LBPRGKRZSA-N 1 3 198.354 2.105 20 0 AEADHO CC(C)[NH2+]C[C@H]1CCCN(C(C)C)C1 53655391 486752033 /nfs/dbraw/zinc/75/20/33/486752033.db2.gz MXZVOKWWMUSPCJ-GFCCVEGCSA-N 1 3 198.354 2.105 20 0 AEADHO CC[C@@H](C)C[NH2+]C[C@@]1(C)CCCNC1 62867956 486767530 /nfs/dbraw/zinc/76/75/30/486767530.db2.gz CVCQVBINPIFCOH-NEPJUHHUSA-N 1 3 198.354 2.012 20 0 AEADHO CCC1(CC)CC[NH+](CCCN)CC1 62952257 486767596 /nfs/dbraw/zinc/76/75/96/486767596.db2.gz SDMJPSBMOXRKNP-UHFFFAOYSA-N 1 3 198.354 2.237 20 0 AEADHO CCC1(CC)CCN(CCC[NH3+])CC1 62952257 486767600 /nfs/dbraw/zinc/76/76/00/486767600.db2.gz SDMJPSBMOXRKNP-UHFFFAOYSA-N 1 3 198.354 2.237 20 0 AEADHO CC[C@@H](C)C[NH2+]C[C@]1(C)CCCNC1 62867954 486767644 /nfs/dbraw/zinc/76/76/44/486767644.db2.gz CVCQVBINPIFCOH-VXGBXAGGSA-N 1 3 198.354 2.012 20 0 AEADHO CC(C)(C)C[NH2+]C[C@]1(C)CCCNC1 62862316 486767662 /nfs/dbraw/zinc/76/76/62/486767662.db2.gz HHXDFSIJHMMGBZ-GFCCVEGCSA-N 1 3 198.354 2.012 20 0 AEADHO CC(C)(C)C[NH2+]C[C@@]1(C)CCCNC1 62862315 486767725 /nfs/dbraw/zinc/76/77/25/486767725.db2.gz HHXDFSIJHMMGBZ-LBPRGKRZSA-N 1 3 198.354 2.012 20 0 AEADHO CC[C@H](C)C[NH2+]C[C@]1(C)CCCNC1 62867955 486767731 /nfs/dbraw/zinc/76/77/31/486767731.db2.gz CVCQVBINPIFCOH-NWDGAFQWSA-N 1 3 198.354 2.012 20 0 AEADHO CC[C@H](C)C[NH2+]C[C@@]1(C)CCCNC1 62867957 486767800 /nfs/dbraw/zinc/76/78/00/486767800.db2.gz CVCQVBINPIFCOH-RYUDHWBXSA-N 1 3 198.354 2.012 20 0 AEADHO CCC[N@H+](C)C[C@H]1CCN(C(C)C)C1 673714455 486776288 /nfs/dbraw/zinc/77/62/88/486776288.db2.gz ZDYFMYIRNIGSRB-GFCCVEGCSA-N 1 3 198.354 2.059 20 0 AEADHO CCC[N@@H+](C)C[C@H]1CCN(C(C)C)C1 673714455 486776293 /nfs/dbraw/zinc/77/62/93/486776293.db2.gz ZDYFMYIRNIGSRB-GFCCVEGCSA-N 1 3 198.354 2.059 20 0 AEADHO CCCN(C)C[C@H]1CC[N@@H+](C(C)C)C1 673714455 486776297 /nfs/dbraw/zinc/77/62/97/486776297.db2.gz ZDYFMYIRNIGSRB-GFCCVEGCSA-N 1 3 198.354 2.059 20 0 AEADHO CCCN(C)C[C@H]1CC[N@H+](C(C)C)C1 673714455 486776301 /nfs/dbraw/zinc/77/63/01/486776301.db2.gz ZDYFMYIRNIGSRB-GFCCVEGCSA-N 1 3 198.354 2.059 20 0 AEADHO CCCN1CC[C@H](C[N@H+](C)CCC)C1 673713494 486776477 /nfs/dbraw/zinc/77/64/77/486776477.db2.gz DVOZOUOAZUJBMK-GFCCVEGCSA-N 1 3 198.354 2.060 20 0 AEADHO CCCN1CC[C@H](C[N@@H+](C)CCC)C1 673713494 486776481 /nfs/dbraw/zinc/77/64/81/486776481.db2.gz DVOZOUOAZUJBMK-GFCCVEGCSA-N 1 3 198.354 2.060 20 0 AEADHO CCCN(C)C[C@H]1CC[N@H+](CCC)C1 673713494 486776487 /nfs/dbraw/zinc/77/64/87/486776487.db2.gz DVOZOUOAZUJBMK-GFCCVEGCSA-N 1 3 198.354 2.060 20 0 AEADHO CCCN(C)C[C@H]1CC[N@@H+](CCC)C1 673713494 486776489 /nfs/dbraw/zinc/77/64/89/486776489.db2.gz DVOZOUOAZUJBMK-GFCCVEGCSA-N 1 3 198.354 2.060 20 0 AEADHO CCC[N@H+](C)C[C@@H]1CCN(C(C)C)C1 673714456 486776916 /nfs/dbraw/zinc/77/69/16/486776916.db2.gz ZDYFMYIRNIGSRB-LBPRGKRZSA-N 1 3 198.354 2.059 20 0 AEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(C)C)C1 673714456 486776919 /nfs/dbraw/zinc/77/69/19/486776919.db2.gz ZDYFMYIRNIGSRB-LBPRGKRZSA-N 1 3 198.354 2.059 20 0 AEADHO CCCN(C)C[C@@H]1CC[N@@H+](C(C)C)C1 673714456 486776925 /nfs/dbraw/zinc/77/69/25/486776925.db2.gz ZDYFMYIRNIGSRB-LBPRGKRZSA-N 1 3 198.354 2.059 20 0 AEADHO CCCN(C)C[C@@H]1CC[N@H+](C(C)C)C1 673714456 486776932 /nfs/dbraw/zinc/77/69/32/486776932.db2.gz ZDYFMYIRNIGSRB-LBPRGKRZSA-N 1 3 198.354 2.059 20 0 AEADHO CCCN1CC[C@@H](C[N@H+](C)CCC)C1 673713495 486777085 /nfs/dbraw/zinc/77/70/85/486777085.db2.gz DVOZOUOAZUJBMK-LBPRGKRZSA-N 1 3 198.354 2.060 20 0 AEADHO CCCN1CC[C@@H](C[N@@H+](C)CCC)C1 673713495 486777092 /nfs/dbraw/zinc/77/70/92/486777092.db2.gz DVOZOUOAZUJBMK-LBPRGKRZSA-N 1 3 198.354 2.060 20 0 AEADHO CCCN(C)C[C@@H]1CC[N@H+](CCC)C1 673713495 486777099 /nfs/dbraw/zinc/77/70/99/486777099.db2.gz DVOZOUOAZUJBMK-LBPRGKRZSA-N 1 3 198.354 2.060 20 0 AEADHO CCCN(C)C[C@@H]1CC[N@@H+](CCC)C1 673713495 486777105 /nfs/dbraw/zinc/77/71/05/486777105.db2.gz DVOZOUOAZUJBMK-LBPRGKRZSA-N 1 3 198.354 2.060 20 0 AEADHO CC(C)[C@@H]1CCC[N@H+](CCCN)CC1 70622061 486789002 /nfs/dbraw/zinc/78/90/02/486789002.db2.gz GBDDSHDIXABQEB-GFCCVEGCSA-N 1 3 198.354 2.093 20 0 AEADHO CC(C)[C@@H]1CCC[N@@H+](CCCN)CC1 70622061 486789008 /nfs/dbraw/zinc/78/90/08/486789008.db2.gz GBDDSHDIXABQEB-GFCCVEGCSA-N 1 3 198.354 2.093 20 0 AEADHO CC(C)[C@H]1CCC[N@H+](CCCN)CC1 70622062 486789104 /nfs/dbraw/zinc/78/91/04/486789104.db2.gz GBDDSHDIXABQEB-LBPRGKRZSA-N 1 3 198.354 2.093 20 0 AEADHO CC(C)[C@H]1CCC[N@@H+](CCCN)CC1 70622062 486789107 /nfs/dbraw/zinc/78/91/07/486789107.db2.gz GBDDSHDIXABQEB-LBPRGKRZSA-N 1 3 198.354 2.093 20 0 AEADHO CC(C)N(C)CC[C@@H]1CCCC[N@@H+]1C 674753779 486810183 /nfs/dbraw/zinc/81/01/83/486810183.db2.gz NLOOQEMZYZSYOL-LBPRGKRZSA-N 1 3 198.354 2.201 20 0 AEADHO CC(C)N(C)CC[C@@H]1CCCC[N@H+]1C 674753779 486810186 /nfs/dbraw/zinc/81/01/86/486810186.db2.gz NLOOQEMZYZSYOL-LBPRGKRZSA-N 1 3 198.354 2.201 20 0 AEADHO CC(C)N(C)CC[C@H]1CCCC[N@@H+]1C 674753778 486810646 /nfs/dbraw/zinc/81/06/46/486810646.db2.gz NLOOQEMZYZSYOL-GFCCVEGCSA-N 1 3 198.354 2.201 20 0 AEADHO CC(C)N(C)CC[C@H]1CCCC[N@H+]1C 674753778 486810650 /nfs/dbraw/zinc/81/06/50/486810650.db2.gz NLOOQEMZYZSYOL-GFCCVEGCSA-N 1 3 198.354 2.201 20 0 AEADHO CC(C)CC[N@@H+]1CCCC[C@H]1CCN 82594427 486819220 /nfs/dbraw/zinc/81/92/20/486819220.db2.gz IZVNMUGMIHUMRE-LBPRGKRZSA-N 1 3 198.354 2.236 20 0 AEADHO CC(C)CC[N@H+]1CCCC[C@H]1CCN 82594427 486819225 /nfs/dbraw/zinc/81/92/25/486819225.db2.gz IZVNMUGMIHUMRE-LBPRGKRZSA-N 1 3 198.354 2.236 20 0 AEADHO CC[C@H](C)C[N@@H+]1CCCC[C@@H]1CCN 82594406 486819255 /nfs/dbraw/zinc/81/92/55/486819255.db2.gz SNRJFFUNOLUCNR-NWDGAFQWSA-N 1 3 198.354 2.236 20 0 AEADHO CC[C@H](C)C[N@H+]1CCCC[C@@H]1CCN 82594406 486819259 /nfs/dbraw/zinc/81/92/59/486819259.db2.gz SNRJFFUNOLUCNR-NWDGAFQWSA-N 1 3 198.354 2.236 20 0 AEADHO CCCCC[N@@H+]1CCCC[C@H]1CCN 82594369 486819329 /nfs/dbraw/zinc/81/93/29/486819329.db2.gz GZGUCVIZDFLQJZ-LBPRGKRZSA-N 1 3 198.354 2.380 20 0 AEADHO CCCCC[N@H+]1CCCC[C@H]1CCN 82594369 486819334 /nfs/dbraw/zinc/81/93/34/486819334.db2.gz GZGUCVIZDFLQJZ-LBPRGKRZSA-N 1 3 198.354 2.380 20 0 AEADHO CC[C@@H](C)C[N@@H+]1CCCC[C@@H]1CCN 82594403 486819422 /nfs/dbraw/zinc/81/94/22/486819422.db2.gz SNRJFFUNOLUCNR-VXGBXAGGSA-N 1 3 198.354 2.236 20 0 AEADHO CC[C@@H](C)C[N@H+]1CCCC[C@@H]1CCN 82594403 486819423 /nfs/dbraw/zinc/81/94/23/486819423.db2.gz SNRJFFUNOLUCNR-VXGBXAGGSA-N 1 3 198.354 2.236 20 0 AEADHO CC(C)CC[N@@H+]1CCCC[C@@H]1CCN 82594425 486819614 /nfs/dbraw/zinc/81/96/14/486819614.db2.gz IZVNMUGMIHUMRE-GFCCVEGCSA-N 1 3 198.354 2.236 20 0 AEADHO CC(C)CC[N@H+]1CCCC[C@@H]1CCN 82594425 486819617 /nfs/dbraw/zinc/81/96/17/486819617.db2.gz IZVNMUGMIHUMRE-GFCCVEGCSA-N 1 3 198.354 2.236 20 0 AEADHO CCCCC[N@@H+]1CCCC[C@@H]1CCN 82594366 486819687 /nfs/dbraw/zinc/81/96/87/486819687.db2.gz GZGUCVIZDFLQJZ-GFCCVEGCSA-N 1 3 198.354 2.380 20 0 AEADHO CCCCC[N@H+]1CCCC[C@@H]1CCN 82594366 486819692 /nfs/dbraw/zinc/81/96/92/486819692.db2.gz GZGUCVIZDFLQJZ-GFCCVEGCSA-N 1 3 198.354 2.380 20 0 AEADHO CCCCC[N@@H+]1CCC[C@H]([C@@H](C)N)C1 82645402 486821502 /nfs/dbraw/zinc/82/15/02/486821502.db2.gz MMADHBRUNHBDPJ-NEPJUHHUSA-N 1 3 198.354 2.236 20 0 AEADHO CCCCC[N@H+]1CCC[C@H]([C@@H](C)N)C1 82645402 486821506 /nfs/dbraw/zinc/82/15/06/486821506.db2.gz MMADHBRUNHBDPJ-NEPJUHHUSA-N 1 3 198.354 2.236 20 0 AEADHO CCCCC[N@@H+]1CCC[C@@H]([C@@H](C)N)C1 82645403 486821589 /nfs/dbraw/zinc/82/15/89/486821589.db2.gz MMADHBRUNHBDPJ-VXGBXAGGSA-N 1 3 198.354 2.236 20 0 AEADHO CCCCC[N@H+]1CCC[C@@H]([C@@H](C)N)C1 82645403 486821591 /nfs/dbraw/zinc/82/15/91/486821591.db2.gz MMADHBRUNHBDPJ-VXGBXAGGSA-N 1 3 198.354 2.236 20 0 AEADHO CC(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)N)C1 82645436 486822012 /nfs/dbraw/zinc/82/20/12/486822012.db2.gz ROQIUAMEASAYEP-VXGBXAGGSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)CC[N@H+]1CCC[C@@H]([C@@H](C)N)C1 82645436 486822018 /nfs/dbraw/zinc/82/20/18/486822018.db2.gz ROQIUAMEASAYEP-VXGBXAGGSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)CC[N@@H+]1CCC[C@H]([C@@H](C)N)C1 82645435 486822309 /nfs/dbraw/zinc/82/23/09/486822309.db2.gz ROQIUAMEASAYEP-NEPJUHHUSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)CC[N@H+]1CCC[C@H]([C@@H](C)N)C1 82645435 486822314 /nfs/dbraw/zinc/82/23/14/486822314.db2.gz ROQIUAMEASAYEP-NEPJUHHUSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@H](C)C[N@@H+]1CCC[C@H]([C@@H](C)N)C1 82645627 486822749 /nfs/dbraw/zinc/82/27/49/486822749.db2.gz XWBZBTUPGYJCRV-TUAOUCFPSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@H](C)C[N@H+]1CCC[C@H]([C@@H](C)N)C1 82645627 486822754 /nfs/dbraw/zinc/82/27/54/486822754.db2.gz XWBZBTUPGYJCRV-TUAOUCFPSA-N 1 3 198.354 2.092 20 0 AEADHO CCC(CC)(CC)[NH2+]CCCNC 83388688 486834161 /nfs/dbraw/zinc/83/41/61/486834161.db2.gz XPPQPZXBAPRXAG-UHFFFAOYSA-N 1 3 186.343 2.154 20 0 AEADHO CNCCC[N@@H+]1CCCC(C)(C)CC1 83680451 486840529 /nfs/dbraw/zinc/84/05/29/486840529.db2.gz RJNYDDFSMYRXOW-UHFFFAOYSA-N 1 3 198.354 2.108 20 0 AEADHO CNCCC[N@H+]1CCCC(C)(C)CC1 83680451 486840533 /nfs/dbraw/zinc/84/05/33/486840533.db2.gz RJNYDDFSMYRXOW-UHFFFAOYSA-N 1 3 198.354 2.108 20 0 AEADHO CC(C)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CN 84215859 486855858 /nfs/dbraw/zinc/85/58/58/486855858.db2.gz JTSXILOWDOADEI-QJPTWQEYSA-N 1 3 198.354 2.138 20 0 AEADHO CCCCC[NH2+][C@@H]1CCCC[C@@H]1CN 84215466 486854686 /nfs/dbraw/zinc/85/46/86/486854686.db2.gz MDWAXMYGZSBSTI-VXGBXAGGSA-N 1 3 198.354 2.284 20 0 AEADHO CCCCC[NH2+][C@@H]1CCCC[C@H]1CN 84215470 486854769 /nfs/dbraw/zinc/85/47/69/486854769.db2.gz MDWAXMYGZSBSTI-NWDGAFQWSA-N 1 3 198.354 2.284 20 0 AEADHO CCC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CN 84215477 486855085 /nfs/dbraw/zinc/85/50/85/486855085.db2.gz MHIPMAVAUQXVFS-QJPTWQEYSA-N 1 3 198.354 2.282 20 0 AEADHO CCCCC[NH2+][C@H]1CCCC[C@@H]1CN 84215468 486855161 /nfs/dbraw/zinc/85/51/61/486855161.db2.gz MDWAXMYGZSBSTI-NEPJUHHUSA-N 1 3 198.354 2.284 20 0 AEADHO CCCCC[NH2+][C@H]1CCCC[C@H]1CN 84215472 486855437 /nfs/dbraw/zinc/85/54/37/486855437.db2.gz MDWAXMYGZSBSTI-RYUDHWBXSA-N 1 3 198.354 2.284 20 0 AEADHO CCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CN 84215481 486855469 /nfs/dbraw/zinc/85/54/69/486855469.db2.gz MHIPMAVAUQXVFS-TUAOUCFPSA-N 1 3 198.354 2.282 20 0 AEADHO CC(C)CCC[NH2+][C@@H]1CCC[C@H]1CN 84220302 486855874 /nfs/dbraw/zinc/85/58/74/486855874.db2.gz VKUFWZGPZYBKAX-NWDGAFQWSA-N 1 3 198.354 2.140 20 0 AEADHO CC(C)CCC[NH2+][C@H]1CCC[C@@H]1CN 84220298 486856060 /nfs/dbraw/zinc/85/60/60/486856060.db2.gz VKUFWZGPZYBKAX-NEPJUHHUSA-N 1 3 198.354 2.140 20 0 AEADHO CC(C)(C)C[NH2+][C@H]1CCCC[C@H]1CN 84216364 486856073 /nfs/dbraw/zinc/85/60/73/486856073.db2.gz HZFPUABHRGDLPC-QWRGUYRKSA-N 1 3 198.354 2.140 20 0 AEADHO CC(C)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CN 84215865 486856130 /nfs/dbraw/zinc/85/61/30/486856130.db2.gz JTSXILOWDOADEI-TUAOUCFPSA-N 1 3 198.354 2.138 20 0 AEADHO CC[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1CN 84216746 486856169 /nfs/dbraw/zinc/85/61/69/486856169.db2.gz HJHSUHXPPYRUBY-TUAOUCFPSA-N 1 3 198.354 2.140 20 0 AEADHO CC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1CN 84216362 486856199 /nfs/dbraw/zinc/85/61/99/486856199.db2.gz HZFPUABHRGDLPC-WDEREUQCSA-N 1 3 198.354 2.140 20 0 AEADHO CC(C)CC[NH2+][C@H]1CCCC[C@H]1CN 84215505 486856229 /nfs/dbraw/zinc/85/62/29/486856229.db2.gz QEAPWQTZHZIPAS-RYUDHWBXSA-N 1 3 198.354 2.140 20 0 AEADHO CC[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1CN 84216743 486856376 /nfs/dbraw/zinc/85/63/76/486856376.db2.gz HJHSUHXPPYRUBY-QJPTWQEYSA-N 1 3 198.354 2.140 20 0 AEADHO CC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1CN 84216360 486856438 /nfs/dbraw/zinc/85/64/38/486856438.db2.gz HZFPUABHRGDLPC-MNOVXSKESA-N 1 3 198.354 2.140 20 0 AEADHO CC(C)CC[NH2+][C@@H]1CCCC[C@@H]1CN 84215498 486856477 /nfs/dbraw/zinc/85/64/77/486856477.db2.gz QEAPWQTZHZIPAS-VXGBXAGGSA-N 1 3 198.354 2.140 20 0 AEADHO CC(C)CC[NH2+][C@H]1CCCC[C@@H]1CN 84215500 486856485 /nfs/dbraw/zinc/85/64/85/486856485.db2.gz QEAPWQTZHZIPAS-NEPJUHHUSA-N 1 3 198.354 2.140 20 0 AEADHO CC(C)CC[NH2+][C@@H]1CCCC[C@H]1CN 84215502 486856500 /nfs/dbraw/zinc/85/65/00/486856500.db2.gz QEAPWQTZHZIPAS-NWDGAFQWSA-N 1 3 198.354 2.140 20 0 AEADHO CC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1CN 84216358 486856587 /nfs/dbraw/zinc/85/65/87/486856587.db2.gz HZFPUABHRGDLPC-GHMZBOCLSA-N 1 3 198.354 2.140 20 0 AEADHO CC(C)CCC[NH2+][C@@H]1CCC[C@@H]1CN 84220293 486856605 /nfs/dbraw/zinc/85/66/05/486856605.db2.gz VKUFWZGPZYBKAX-VXGBXAGGSA-N 1 3 198.354 2.140 20 0 AEADHO CC(C)CCC[NH2+][C@H]1CCC[C@H]1CN 84220304 486856721 /nfs/dbraw/zinc/85/67/21/486856721.db2.gz VKUFWZGPZYBKAX-RYUDHWBXSA-N 1 3 198.354 2.140 20 0 AEADHO CC1(NCC[NH2+]C(C)(C)C)CCCC1 86137947 486874406 /nfs/dbraw/zinc/87/44/06/486874406.db2.gz IMIDGTKOJMPGAK-UHFFFAOYSA-N 1 3 198.354 2.297 20 0 AEADHO CCCCC[NH2+][C@@H]1CCC[C@@H](N)C1 86401711 486877396 /nfs/dbraw/zinc/87/73/96/486877396.db2.gz RUWDJZCLGHXRHP-GHMZBOCLSA-N 1 3 184.327 2.036 20 0 AEADHO CCC(CC)[NH2+][C@@H]1CCC[C@H](N)C1 86401640 486877441 /nfs/dbraw/zinc/87/74/41/486877441.db2.gz URDOKVLUIZNBNG-GXSJLCMTSA-N 1 3 184.327 2.035 20 0 AEADHO CCC(CC)[NH2+][C@@H]1CCC[C@@H](N)C1 86401644 486877560 /nfs/dbraw/zinc/87/75/60/486877560.db2.gz URDOKVLUIZNBNG-MWLCHTKSSA-N 1 3 184.327 2.035 20 0 AEADHO CCCCC[NH2+][C@@H]1CCC[C@H](N)C1 86401707 486877608 /nfs/dbraw/zinc/87/76/08/486877608.db2.gz RUWDJZCLGHXRHP-WDEREUQCSA-N 1 3 184.327 2.036 20 0 AEADHO CCCCC[NH2+][C@H]1CCC[C@H](N)C1 86401709 486877744 /nfs/dbraw/zinc/87/77/44/486877744.db2.gz RUWDJZCLGHXRHP-QWRGUYRKSA-N 1 3 184.327 2.036 20 0 AEADHO CCC(CC)[NH2+][C@H]1CCC[C@H](N)C1 86401642 486877802 /nfs/dbraw/zinc/87/78/02/486877802.db2.gz URDOKVLUIZNBNG-ONGXEEELSA-N 1 3 184.327 2.035 20 0 AEADHO CCC[C@H](C)[NH2+][C@@H]1CCC[C@H](N)C1 86401729 486877894 /nfs/dbraw/zinc/87/78/94/486877894.db2.gz IKUQMKGUWNCFCA-GARJFASQSA-N 1 3 184.327 2.035 20 0 AEADHO CCC[C@H](C)[NH2+][C@H]1CCC[C@H](N)C1 86401735 486877992 /nfs/dbraw/zinc/87/79/92/486877992.db2.gz IKUQMKGUWNCFCA-DCAQKATOSA-N 1 3 184.327 2.035 20 0 AEADHO CCC(CC)[NH2+][C@H]1CCC[C@@H](N)C1 86401646 486878180 /nfs/dbraw/zinc/87/81/80/486878180.db2.gz URDOKVLUIZNBNG-KOLCDFICSA-N 1 3 184.327 2.035 20 0 AEADHO CCCCC[NH2+][C@H]1CCC[C@@H](N)C1 86401713 486878195 /nfs/dbraw/zinc/87/81/95/486878195.db2.gz RUWDJZCLGHXRHP-MNOVXSKESA-N 1 3 184.327 2.036 20 0 AEADHO CCC[C@H](CC)[NH2+][C@@H]1CCC[C@H](N)C1 86403927 486878637 /nfs/dbraw/zinc/87/86/37/486878637.db2.gz VLBUCKPAQRBTMY-SDDRHHMPSA-N 1 3 198.354 2.425 20 0 AEADHO CC[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)C(C)C 86403599 486878670 /nfs/dbraw/zinc/87/86/70/486878670.db2.gz XKNHFFDNDSKLTC-TUAOUCFPSA-N 1 3 198.354 2.281 20 0 AEADHO CC(C)CCC[NH2+][C@@H]1CCC[C@@H](N)C1 86403423 486878739 /nfs/dbraw/zinc/87/87/39/486878739.db2.gz XXYCSVXDJKAHKM-VXGBXAGGSA-N 1 3 198.354 2.282 20 0 AEADHO N[C@@H]1CCC[C@H]([NH2+]CC2CCCC2)C1 86402708 486878748 /nfs/dbraw/zinc/87/87/48/486878748.db2.gz FEYNXROUWWOTPM-NEPJUHHUSA-N 1 3 196.338 2.036 20 0 AEADHO CCCC[C@H](C)[NH2+][C@H]1CCC[C@H](N)C1 86403941 486878806 /nfs/dbraw/zinc/87/88/06/486878806.db2.gz YHHMLTLBLNSHMP-SRVKXCTJSA-N 1 3 198.354 2.425 20 0 AEADHO CCC[C@H](CC)[NH2+][C@H]1CCC[C@H](N)C1 86403932 486878846 /nfs/dbraw/zinc/87/88/46/486878846.db2.gz VLBUCKPAQRBTMY-SRVKXCTJSA-N 1 3 198.354 2.425 20 0 AEADHO N[C@@H]1CCC[C@@H]([NH2+]CC2CCCC2)C1 86402706 486878888 /nfs/dbraw/zinc/87/88/88/486878888.db2.gz FEYNXROUWWOTPM-VXGBXAGGSA-N 1 3 196.338 2.036 20 0 AEADHO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](N)C1 86404140 486878896 /nfs/dbraw/zinc/87/88/96/486878896.db2.gz WLXNIEBWEPQLNJ-KXNHARMFSA-N 1 3 196.338 2.035 20 0 AEADHO CCCC[C@H](C)[NH2+][C@@H]1CCC[C@H](N)C1 86403936 486878909 /nfs/dbraw/zinc/87/89/09/486878909.db2.gz YHHMLTLBLNSHMP-SDDRHHMPSA-N 1 3 198.354 2.425 20 0 AEADHO CC(C)CCC[NH2+][C@H]1CCC[C@H](N)C1 86403422 486878944 /nfs/dbraw/zinc/87/89/44/486878944.db2.gz XXYCSVXDJKAHKM-RYUDHWBXSA-N 1 3 198.354 2.282 20 0 AEADHO CC[C@H]([NH2+][C@H]1CCC[C@H](N)C1)C(C)C 86403602 486878969 /nfs/dbraw/zinc/87/89/69/486878969.db2.gz XKNHFFDNDSKLTC-SRVKXCTJSA-N 1 3 198.354 2.281 20 0 AEADHO N[C@H]1CCC[C@H]([NH2+]CC2CCCC2)C1 86402703 486879072 /nfs/dbraw/zinc/87/90/72/486879072.db2.gz FEYNXROUWWOTPM-RYUDHWBXSA-N 1 3 196.338 2.036 20 0 AEADHO C[C@H](CC1CC1)[NH2+][C@@H]1CCC[C@H](N)C1 86404318 486879139 /nfs/dbraw/zinc/87/91/39/486879139.db2.gz IBWGGOCDMUJKPY-ADEWGFFLSA-N 1 3 196.338 2.035 20 0 AEADHO N[C@H]1CCC[C@@H]([NH2+]CC2CCCC2)C1 86402702 486879148 /nfs/dbraw/zinc/87/91/48/486879148.db2.gz FEYNXROUWWOTPM-NWDGAFQWSA-N 1 3 196.338 2.036 20 0 AEADHO CC(C)CCC[NH2+][C@H]1CCC[C@@H](N)C1 86403425 486879170 /nfs/dbraw/zinc/87/91/70/486879170.db2.gz XXYCSVXDJKAHKM-NEPJUHHUSA-N 1 3 198.354 2.282 20 0 AEADHO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H](N)C1 86403583 486879221 /nfs/dbraw/zinc/87/92/21/486879221.db2.gz RNXJVVHCFZJSQM-FIQHERPVSA-N 1 3 198.354 2.281 20 0 AEADHO CC(C)CCC[NH2+][C@@H]1CCC[C@H](N)C1 86403420 486879286 /nfs/dbraw/zinc/87/92/86/486879286.db2.gz XXYCSVXDJKAHKM-NWDGAFQWSA-N 1 3 198.354 2.282 20 0 AEADHO C[C@H](CC1CC1)[NH2+][C@H]1CCC[C@H](N)C1 86404322 486880017 /nfs/dbraw/zinc/88/00/17/486880017.db2.gz IBWGGOCDMUJKPY-USWWRNFRSA-N 1 3 196.338 2.035 20 0 AEADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1CC1 86500443 486881304 /nfs/dbraw/zinc/88/13/04/486881304.db2.gz LBJXWJPKLOKRJQ-JQWIXIFHSA-N 1 3 196.338 2.049 20 0 AEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1CC1 86500444 486881719 /nfs/dbraw/zinc/88/17/19/486881719.db2.gz LBJXWJPKLOKRJQ-PWSUYJOCSA-N 1 3 196.338 2.049 20 0 AEADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1CC1 86500445 486881860 /nfs/dbraw/zinc/88/18/60/486881860.db2.gz LBJXWJPKLOKRJQ-CMPLNLGQSA-N 1 3 196.338 2.049 20 0 AEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC1CC1 86500446 486882077 /nfs/dbraw/zinc/88/20/77/486882077.db2.gz LBJXWJPKLOKRJQ-ZYHUDNBSSA-N 1 3 196.338 2.049 20 0 AEADHO CC[C@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 86662822 486882603 /nfs/dbraw/zinc/88/26/03/486882603.db2.gz ODLFHMWVFJTLAX-WDEREUQCSA-N 1 3 196.338 2.049 20 0 AEADHO CC[C@@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 86662821 486882649 /nfs/dbraw/zinc/88/26/49/486882649.db2.gz ODLFHMWVFJTLAX-GHMZBOCLSA-N 1 3 196.338 2.049 20 0 AEADHO CC[C@@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 86662823 486882845 /nfs/dbraw/zinc/88/28/45/486882845.db2.gz ODLFHMWVFJTLAX-MNOVXSKESA-N 1 3 196.338 2.049 20 0 AEADHO CC[C@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 86662824 486883026 /nfs/dbraw/zinc/88/30/26/486883026.db2.gz ODLFHMWVFJTLAX-QWRGUYRKSA-N 1 3 196.338 2.049 20 0 AEADHO CC(C)CCC[C@H](C)[NH2+][C@@H]1CCNC1 86725388 486884351 /nfs/dbraw/zinc/88/43/51/486884351.db2.gz HZMSWUBKGHFMLY-NWDGAFQWSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)CCC[C@H](C)[NH2+][C@H]1CCNC1 86725396 486884471 /nfs/dbraw/zinc/88/44/71/486884471.db2.gz HZMSWUBKGHFMLY-RYUDHWBXSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)CCC[C@@H](C)[NH2+][C@H]1CCNC1 86725391 486884818 /nfs/dbraw/zinc/88/48/18/486884818.db2.gz HZMSWUBKGHFMLY-NEPJUHHUSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)CCC[C@@H](C)[NH2+][C@@H]1CCNC1 86725387 486884951 /nfs/dbraw/zinc/88/49/51/486884951.db2.gz HZMSWUBKGHFMLY-VXGBXAGGSA-N 1 3 198.354 2.153 20 0 AEADHO CCC(CC)C[N@@H+]1CC[C@H](N)[C@H](C)C1 86884302 486889563 /nfs/dbraw/zinc/88/95/63/486889563.db2.gz IJYYJRHIXFFXDU-PWSUYJOCSA-N 1 3 198.354 2.092 20 0 AEADHO CCC(CC)C[N@H+]1CC[C@H](N)[C@H](C)C1 86884302 486889567 /nfs/dbraw/zinc/88/95/67/486889567.db2.gz IJYYJRHIXFFXDU-PWSUYJOCSA-N 1 3 198.354 2.092 20 0 AEADHO CCC(CC)C[N@@H+]1CC[C@@H](N)[C@H](C)C1 86884304 486889602 /nfs/dbraw/zinc/88/96/02/486889602.db2.gz IJYYJRHIXFFXDU-ZYHUDNBSSA-N 1 3 198.354 2.092 20 0 AEADHO CCC(CC)C[N@H+]1CC[C@@H](N)[C@H](C)C1 86884304 486889604 /nfs/dbraw/zinc/88/96/04/486889604.db2.gz IJYYJRHIXFFXDU-ZYHUDNBSSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)CN(C)CCC[NH+]1CCCC1 677678051 486893119 /nfs/dbraw/zinc/89/31/19/486893119.db2.gz DVNJVGGJYYHJIW-UHFFFAOYSA-N 1 3 198.354 2.060 20 0 AEADHO CCC[C@H](CC)[NH2+]C[C@@H]1CCCNC1 87647068 486898959 /nfs/dbraw/zinc/89/89/59/486898959.db2.gz DMNLRRPMYKJIJB-NEPJUHHUSA-N 1 3 198.354 2.154 20 0 AEADHO CCC[C@@H](CC)[NH2+]C[C@@H]1CCCNC1 87647066 486898970 /nfs/dbraw/zinc/89/89/70/486898970.db2.gz DMNLRRPMYKJIJB-VXGBXAGGSA-N 1 3 198.354 2.154 20 0 AEADHO CC[C@H]([NH2+]C[C@H]1CCCNC1)C(C)C 87646864 486899108 /nfs/dbraw/zinc/89/91/08/486899108.db2.gz GHMBMXWWWSJPSG-RYUDHWBXSA-N 1 3 198.354 2.010 20 0 AEADHO CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCNC1 87646847 486899134 /nfs/dbraw/zinc/89/91/34/486899134.db2.gz GTXVCOMNTYQORP-SDDRHHMPSA-N 1 3 198.354 2.010 20 0 AEADHO CC[C@H]([NH2+]C[C@@H]1CCCNC1)C(C)C 87646860 486899408 /nfs/dbraw/zinc/89/94/08/486899408.db2.gz GHMBMXWWWSJPSG-NEPJUHHUSA-N 1 3 198.354 2.010 20 0 AEADHO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCNC1 87646844 486899421 /nfs/dbraw/zinc/89/94/21/486899421.db2.gz GTXVCOMNTYQORP-QJPTWQEYSA-N 1 3 198.354 2.010 20 0 AEADHO CC[C@@H]([NH2+]C[C@@H]1CCCNC1)C(C)C 87646862 486899474 /nfs/dbraw/zinc/89/94/74/486899474.db2.gz GHMBMXWWWSJPSG-VXGBXAGGSA-N 1 3 198.354 2.010 20 0 AEADHO CC(C)CCC[NH2+]C[C@H]1CCCNC1 87646778 486899490 /nfs/dbraw/zinc/89/94/90/486899490.db2.gz XTNRNALYMIQNSB-GFCCVEGCSA-N 1 3 198.354 2.012 20 0 AEADHO CC[C@@H]([NH2+]C[C@H]1CCCNC1)C(C)C 87646866 486899501 /nfs/dbraw/zinc/89/95/01/486899501.db2.gz GHMBMXWWWSJPSG-NWDGAFQWSA-N 1 3 198.354 2.010 20 0 AEADHO CCC[C@@H](CC)[NH2+]C[C@H]1CCCNC1 87647070 486899517 /nfs/dbraw/zinc/89/95/17/486899517.db2.gz DMNLRRPMYKJIJB-NWDGAFQWSA-N 1 3 198.354 2.154 20 0 AEADHO CCC[C@H](CC)[NH2+]C[C@H]1CCCNC1 87647072 486899523 /nfs/dbraw/zinc/89/95/23/486899523.db2.gz DMNLRRPMYKJIJB-RYUDHWBXSA-N 1 3 198.354 2.154 20 0 AEADHO CC(C)CCC[NH2+]C[C@@H]1CCCNC1 87646776 486899655 /nfs/dbraw/zinc/89/96/55/486899655.db2.gz XTNRNALYMIQNSB-LBPRGKRZSA-N 1 3 198.354 2.012 20 0 AEADHO CC[NH+](CC)CCCN(C)C1CCC1 678349919 486934830 /nfs/dbraw/zinc/93/48/30/486934830.db2.gz POIRQRWVRMYXFF-UHFFFAOYSA-N 1 3 198.354 2.203 20 0 AEADHO CCN(CC)CCC[N@H+](C)C1CCC1 678349919 486934833 /nfs/dbraw/zinc/93/48/33/486934833.db2.gz POIRQRWVRMYXFF-UHFFFAOYSA-N 1 3 198.354 2.203 20 0 AEADHO CCN(CC)CCC[N@@H+](C)C1CCC1 678349919 486934837 /nfs/dbraw/zinc/93/48/37/486934837.db2.gz POIRQRWVRMYXFF-UHFFFAOYSA-N 1 3 198.354 2.203 20 0 AEADHO N[C@@H]1CCC[C@H]([NH2+]CCCC2CC2)C1 156836647 486963277 /nfs/dbraw/zinc/96/32/77/486963277.db2.gz IQRRHUCBWJAOAX-NEPJUHHUSA-N 1 3 196.338 2.036 20 0 AEADHO N[C@H]1CCC[C@@H]([NH2+]CCCC2CC2)C1 156836234 486963345 /nfs/dbraw/zinc/96/33/45/486963345.db2.gz IQRRHUCBWJAOAX-NWDGAFQWSA-N 1 3 196.338 2.036 20 0 AEADHO N[C@H]1CCC[C@H]([NH2+]CCCC2CC2)C1 156836510 486963419 /nfs/dbraw/zinc/96/34/19/486963419.db2.gz IQRRHUCBWJAOAX-RYUDHWBXSA-N 1 3 196.338 2.036 20 0 AEADHO N[C@@H]1CCC[C@@H]([NH2+]CCCC2CC2)C1 156836362 486964172 /nfs/dbraw/zinc/96/41/72/486964172.db2.gz IQRRHUCBWJAOAX-VXGBXAGGSA-N 1 3 196.338 2.036 20 0 AEADHO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCNCC1 160672055 486977355 /nfs/dbraw/zinc/97/73/55/486977355.db2.gz ZWAXFAHMLFWJJK-SDDRHHMPSA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@@H](C)N1CC[C@@H](C[N@H+](C)CC)C1 680012856 486977695 /nfs/dbraw/zinc/97/76/95/486977695.db2.gz XWBXLWJCLNBJTF-NEPJUHHUSA-N 1 3 198.354 2.059 20 0 AEADHO CC[C@@H](C)[N@@H+]1CC[C@@H](CN(C)CC)C1 680012856 486977686 /nfs/dbraw/zinc/97/76/86/486977686.db2.gz XWBXLWJCLNBJTF-NEPJUHHUSA-N 1 3 198.354 2.059 20 0 AEADHO CC[C@@H](C)[N@H+]1CC[C@@H](CN(C)CC)C1 680012856 486977689 /nfs/dbraw/zinc/97/76/89/486977689.db2.gz XWBXLWJCLNBJTF-NEPJUHHUSA-N 1 3 198.354 2.059 20 0 AEADHO CC[C@@H](C)N1CC[C@@H](C[N@@H+](C)CC)C1 680012856 486977701 /nfs/dbraw/zinc/97/77/01/486977701.db2.gz XWBXLWJCLNBJTF-NEPJUHHUSA-N 1 3 198.354 2.059 20 0 AEADHO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCNCC1 160671807 486978004 /nfs/dbraw/zinc/97/80/04/486978004.db2.gz ZWAXFAHMLFWJJK-QJPTWQEYSA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@H](C)[N@@H+]1CC[C@@H](CN(C)CC)C1 680012858 486978082 /nfs/dbraw/zinc/97/80/82/486978082.db2.gz XWBXLWJCLNBJTF-RYUDHWBXSA-N 1 3 198.354 2.059 20 0 AEADHO CC[C@H](C)[N@H+]1CC[C@@H](CN(C)CC)C1 680012858 486978084 /nfs/dbraw/zinc/97/80/84/486978084.db2.gz XWBXLWJCLNBJTF-RYUDHWBXSA-N 1 3 198.354 2.059 20 0 AEADHO CC[C@H](C)N1CC[C@@H](C[N@H+](C)CC)C1 680012858 486978087 /nfs/dbraw/zinc/97/80/87/486978087.db2.gz XWBXLWJCLNBJTF-RYUDHWBXSA-N 1 3 198.354 2.059 20 0 AEADHO CC[C@H](C)N1CC[C@@H](C[N@@H+](C)CC)C1 680012858 486978089 /nfs/dbraw/zinc/97/80/89/486978089.db2.gz XWBXLWJCLNBJTF-RYUDHWBXSA-N 1 3 198.354 2.059 20 0 AEADHO CC[C@H](C)[N@@H+]1CC[C@H](CN(C)CC)C1 680012857 486978113 /nfs/dbraw/zinc/97/81/13/486978113.db2.gz XWBXLWJCLNBJTF-NWDGAFQWSA-N 1 3 198.354 2.059 20 0 AEADHO CC[C@H](C)[N@H+]1CC[C@H](CN(C)CC)C1 680012857 486978116 /nfs/dbraw/zinc/97/81/16/486978116.db2.gz XWBXLWJCLNBJTF-NWDGAFQWSA-N 1 3 198.354 2.059 20 0 AEADHO CC[C@H](C)N1CC[C@H](C[N@H+](C)CC)C1 680012857 486978119 /nfs/dbraw/zinc/97/81/19/486978119.db2.gz XWBXLWJCLNBJTF-NWDGAFQWSA-N 1 3 198.354 2.059 20 0 AEADHO CC[C@H](C)N1CC[C@H](C[N@@H+](C)CC)C1 680012857 486978120 /nfs/dbraw/zinc/97/81/20/486978120.db2.gz XWBXLWJCLNBJTF-NWDGAFQWSA-N 1 3 198.354 2.059 20 0 AEADHO CC[C@@H](C)[N@@H+]1CC[C@H](CN(C)CC)C1 680012859 486978151 /nfs/dbraw/zinc/97/81/51/486978151.db2.gz XWBXLWJCLNBJTF-VXGBXAGGSA-N 1 3 198.354 2.059 20 0 AEADHO CC[C@@H](C)[N@H+]1CC[C@H](CN(C)CC)C1 680012859 486978154 /nfs/dbraw/zinc/97/81/54/486978154.db2.gz XWBXLWJCLNBJTF-VXGBXAGGSA-N 1 3 198.354 2.059 20 0 AEADHO CC[C@@H](C)N1CC[C@H](C[N@H+](C)CC)C1 680012859 486978157 /nfs/dbraw/zinc/97/81/57/486978157.db2.gz XWBXLWJCLNBJTF-VXGBXAGGSA-N 1 3 198.354 2.059 20 0 AEADHO CC[C@@H](C)N1CC[C@H](C[N@@H+](C)CC)C1 680012859 486978159 /nfs/dbraw/zinc/97/81/59/486978159.db2.gz XWBXLWJCLNBJTF-VXGBXAGGSA-N 1 3 198.354 2.059 20 0 AEADHO C[NH2+]C[C@@H](C)NCC1CCCCCC1 162114899 486982772 /nfs/dbraw/zinc/98/27/72/486982772.db2.gz DAFARHALMFJSIE-LLVKDONJSA-N 1 3 198.354 2.154 20 0 AEADHO C[NH2+]C[C@@H](C)NCCC1CCCCC1 162128503 486982954 /nfs/dbraw/zinc/98/29/54/486982954.db2.gz SSKZUMOHEVFWKZ-LLVKDONJSA-N 1 3 198.354 2.154 20 0 AEADHO C[NH2+]C[C@H](C)NCC1CCCCCC1 162114764 486983092 /nfs/dbraw/zinc/98/30/92/486983092.db2.gz DAFARHALMFJSIE-NSHDSACASA-N 1 3 198.354 2.154 20 0 AEADHO C[NH2+]C[C@H](C)NCCC1CCCCC1 162128366 486983106 /nfs/dbraw/zinc/98/31/06/486983106.db2.gz SSKZUMOHEVFWKZ-NSHDSACASA-N 1 3 198.354 2.154 20 0 AEADHO C[C@H](C[NH2+]C1CCNCC1)C(C)(C)C 162764513 486983477 /nfs/dbraw/zinc/98/34/77/486983477.db2.gz MKAHQJSMZDNERP-SNVBAGLBSA-N 1 3 198.354 2.010 20 0 AEADHO C[C@H]([NH2+]C[C@H]1CCCNC1)C(C)(C)C 162716909 486983819 /nfs/dbraw/zinc/98/38/19/486983819.db2.gz LJJPCCJHVCLJHP-QWRGUYRKSA-N 1 3 198.354 2.010 20 0 AEADHO C[C@@H](C[NH2+]C1CCNCC1)C(C)(C)C 162764406 486983834 /nfs/dbraw/zinc/98/38/34/486983834.db2.gz MKAHQJSMZDNERP-JTQLQIEISA-N 1 3 198.354 2.010 20 0 AEADHO C[C@H]([NH2+]C[C@@H]1CCCNC1)C(C)(C)C 162716636 486983862 /nfs/dbraw/zinc/98/38/62/486983862.db2.gz LJJPCCJHVCLJHP-WDEREUQCSA-N 1 3 198.354 2.010 20 0 AEADHO C[C@H]([NH2+][C@H]1CCC[C@H](N)C1)C(C)(C)C 162669141 486984180 /nfs/dbraw/zinc/98/41/80/486984180.db2.gz JJQGQUGMWPTFIY-DCAQKATOSA-N 1 3 198.354 2.281 20 0 AEADHO C[C@@H]([NH2+]C[C@@H]1CCCNC1)C(C)(C)C 162716788 486984265 /nfs/dbraw/zinc/98/42/65/486984265.db2.gz LJJPCCJHVCLJHP-GHMZBOCLSA-N 1 3 198.354 2.010 20 0 AEADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)C(C)(C)C 162668930 486984384 /nfs/dbraw/zinc/98/43/84/486984384.db2.gz JJQGQUGMWPTFIY-GARJFASQSA-N 1 3 198.354 2.281 20 0 AEADHO C[C@@H]([NH2+]C[C@H]1CCCNC1)C(C)(C)C 162717040 486984429 /nfs/dbraw/zinc/98/44/29/486984429.db2.gz LJJPCCJHVCLJHP-MNOVXSKESA-N 1 3 198.354 2.010 20 0 AEADHO C[C@H](C[NH2+]C[C@@H]1CCCN1)C(C)(C)C 162949826 486984715 /nfs/dbraw/zinc/98/47/15/486984715.db2.gz XPTJAADFVRPVGR-MNOVXSKESA-N 1 3 198.354 2.010 20 0 AEADHO C[C@@H](C[NH2+]C[C@H]1CCCN1)C(C)(C)C 162949916 486984793 /nfs/dbraw/zinc/98/47/93/486984793.db2.gz XPTJAADFVRPVGR-WDEREUQCSA-N 1 3 198.354 2.010 20 0 AEADHO C[C@H](C[NH2+]C[C@H]1CCCN1)C(C)(C)C 162950000 486985224 /nfs/dbraw/zinc/98/52/24/486985224.db2.gz XPTJAADFVRPVGR-GHMZBOCLSA-N 1 3 198.354 2.010 20 0 AEADHO C[C@@H](C[NH2+]C[C@@H]1CCCN1)C(C)(C)C 162949723 486985317 /nfs/dbraw/zinc/98/53/17/486985317.db2.gz XPTJAADFVRPVGR-QWRGUYRKSA-N 1 3 198.354 2.010 20 0 AEADHO CNCCC[NH2+]CC1CCCCCC1 163310429 486986195 /nfs/dbraw/zinc/98/61/95/486986195.db2.gz MXBBFZDRZRINJF-UHFFFAOYSA-N 1 3 198.354 2.156 20 0 AEADHO CNCCC[NH2+]CCC1CCCCC1 163315265 486986204 /nfs/dbraw/zinc/98/62/04/486986204.db2.gz DQWLBQFWZNJBBF-UHFFFAOYSA-N 1 3 198.354 2.156 20 0 AEADHO CC(C)CCCN(C)C1CC[NH2+]CC1 165538162 486992047 /nfs/dbraw/zinc/99/20/47/486992047.db2.gz NNKFKGYIRUEOLK-UHFFFAOYSA-N 1 3 198.354 2.106 20 0 AEADHO CC(C)CCC[N@@H+]1C[C@H](CN)C[C@H]1C 165555454 486992401 /nfs/dbraw/zinc/99/24/01/486992401.db2.gz LMEHGMLGSXYLQA-NEPJUHHUSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)CCC[N@H+]1C[C@H](CN)C[C@H]1C 165555454 486992403 /nfs/dbraw/zinc/99/24/03/486992403.db2.gz LMEHGMLGSXYLQA-NEPJUHHUSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)CCC[N@@H+]1C[C@@H](CN)C[C@@H]1C 165555327 486992516 /nfs/dbraw/zinc/99/25/16/486992516.db2.gz LMEHGMLGSXYLQA-NWDGAFQWSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)CCC[N@H+]1C[C@@H](CN)C[C@@H]1C 165555327 486992518 /nfs/dbraw/zinc/99/25/18/486992518.db2.gz LMEHGMLGSXYLQA-NWDGAFQWSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)CCC[N@@H+]1C[C@H](CN)C[C@@H]1C 165555575 486992545 /nfs/dbraw/zinc/99/25/45/486992545.db2.gz LMEHGMLGSXYLQA-RYUDHWBXSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)CCC[N@H+]1C[C@H](CN)C[C@@H]1C 165555575 486992547 /nfs/dbraw/zinc/99/25/47/486992547.db2.gz LMEHGMLGSXYLQA-RYUDHWBXSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)CCC[N@@H+]1C[C@@H](CN)C[C@H]1C 165555202 486992607 /nfs/dbraw/zinc/99/26/07/486992607.db2.gz LMEHGMLGSXYLQA-VXGBXAGGSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)CCC[N@H+]1C[C@@H](CN)C[C@H]1C 165555202 486992612 /nfs/dbraw/zinc/99/26/12/486992612.db2.gz LMEHGMLGSXYLQA-VXGBXAGGSA-N 1 3 198.354 2.092 20 0 AEADHO C[C@H]1C[C@H](N)CC[N@@H+]1CCC(C)(C)C 168834109 487004866 /nfs/dbraw/zinc/00/48/66/487004866.db2.gz XFAXKHXWZJZJNT-WDEREUQCSA-N 1 3 198.354 2.234 20 0 AEADHO C[C@H]1C[C@H](N)CC[N@H+]1CCC(C)(C)C 168834109 487004870 /nfs/dbraw/zinc/00/48/70/487004870.db2.gz XFAXKHXWZJZJNT-WDEREUQCSA-N 1 3 198.354 2.234 20 0 AEADHO C[C@H]1C[C@H]([NH3+])CCN1CCC(C)(C)C 168834109 487004872 /nfs/dbraw/zinc/00/48/72/487004872.db2.gz XFAXKHXWZJZJNT-WDEREUQCSA-N 1 3 198.354 2.234 20 0 AEADHO C[C@@H]1C[C@@H](N)CC[N@@H+]1CCC(C)(C)C 168834192 487005064 /nfs/dbraw/zinc/00/50/64/487005064.db2.gz XFAXKHXWZJZJNT-MNOVXSKESA-N 1 3 198.354 2.234 20 0 AEADHO C[C@@H]1C[C@@H](N)CC[N@H+]1CCC(C)(C)C 168834192 487005066 /nfs/dbraw/zinc/00/50/66/487005066.db2.gz XFAXKHXWZJZJNT-MNOVXSKESA-N 1 3 198.354 2.234 20 0 AEADHO C[C@@H]1C[C@@H]([NH3+])CCN1CCC(C)(C)C 168834192 487005069 /nfs/dbraw/zinc/00/50/69/487005069.db2.gz XFAXKHXWZJZJNT-MNOVXSKESA-N 1 3 198.354 2.234 20 0 AEADHO C[C@H]1C[C@@H](N)CC[N@@H+]1CCC(C)(C)C 168834280 487005254 /nfs/dbraw/zinc/00/52/54/487005254.db2.gz XFAXKHXWZJZJNT-QWRGUYRKSA-N 1 3 198.354 2.234 20 0 AEADHO C[C@H]1C[C@@H](N)CC[N@H+]1CCC(C)(C)C 168834280 487005258 /nfs/dbraw/zinc/00/52/58/487005258.db2.gz XFAXKHXWZJZJNT-QWRGUYRKSA-N 1 3 198.354 2.234 20 0 AEADHO C[C@H]1C[C@@H]([NH3+])CCN1CCC(C)(C)C 168834280 487005260 /nfs/dbraw/zinc/00/52/60/487005260.db2.gz XFAXKHXWZJZJNT-QWRGUYRKSA-N 1 3 198.354 2.234 20 0 AEADHO CCC(CC)C[N@@H+]1CC[C@H](N)C[C@@H]1C 168837066 487005315 /nfs/dbraw/zinc/00/53/15/487005315.db2.gz FFLDRSBDFRUYER-JQWIXIFHSA-N 1 3 198.354 2.234 20 0 AEADHO CCC(CC)C[N@H+]1CC[C@H](N)C[C@@H]1C 168837066 487005319 /nfs/dbraw/zinc/00/53/19/487005319.db2.gz FFLDRSBDFRUYER-JQWIXIFHSA-N 1 3 198.354 2.234 20 0 AEADHO CCC(CC)C[N@@H+]1CC[C@@H](N)C[C@@H]1C 168837162 487005400 /nfs/dbraw/zinc/00/54/00/487005400.db2.gz FFLDRSBDFRUYER-CMPLNLGQSA-N 1 3 198.354 2.234 20 0 AEADHO CCC(CC)C[N@H+]1CC[C@@H](N)C[C@@H]1C 168837162 487005405 /nfs/dbraw/zinc/00/54/05/487005405.db2.gz FFLDRSBDFRUYER-CMPLNLGQSA-N 1 3 198.354 2.234 20 0 AEADHO C[C@@H]1C[C@H](N)CC[N@@H+]1CCC(C)(C)C 168834026 487005481 /nfs/dbraw/zinc/00/54/81/487005481.db2.gz XFAXKHXWZJZJNT-GHMZBOCLSA-N 1 3 198.354 2.234 20 0 AEADHO C[C@@H]1C[C@H](N)CC[N@H+]1CCC(C)(C)C 168834026 487005483 /nfs/dbraw/zinc/00/54/83/487005483.db2.gz XFAXKHXWZJZJNT-GHMZBOCLSA-N 1 3 198.354 2.234 20 0 AEADHO C[C@@H]1C[C@H]([NH3+])CCN1CCC(C)(C)C 168834026 487005487 /nfs/dbraw/zinc/00/54/87/487005487.db2.gz XFAXKHXWZJZJNT-GHMZBOCLSA-N 1 3 198.354 2.234 20 0 AEADHO C[C@@H](CCN)[NH2+]CC1CCCCCC1 220488822 487030216 /nfs/dbraw/zinc/03/02/16/487030216.db2.gz JBRAHVKRUJDPFV-NSHDSACASA-N 1 3 198.354 2.284 20 0 AEADHO C[C@@H](CCN)[NH2+]CCC1CCCCC1 220508356 487030337 /nfs/dbraw/zinc/03/03/37/487030337.db2.gz PJCHGQIIBJRMMS-NSHDSACASA-N 1 3 198.354 2.284 20 0 AEADHO C[C@H](CCN)[NH2+]CCC1CCCCC1 220508417 487030370 /nfs/dbraw/zinc/03/03/70/487030370.db2.gz PJCHGQIIBJRMMS-LLVKDONJSA-N 1 3 198.354 2.284 20 0 AEADHO C[C@H](CCN)[NH2+]CC1CCCCCC1 220488895 487031155 /nfs/dbraw/zinc/03/11/55/487031155.db2.gz JBRAHVKRUJDPFV-LLVKDONJSA-N 1 3 198.354 2.284 20 0 AEADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N)C1)C1CCC1 221070342 487031918 /nfs/dbraw/zinc/03/19/18/487031918.db2.gz PKPUBFYKDHWSKY-WCQGTBRESA-N 1 3 196.338 2.035 20 0 AEADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)C1CCC1 221070204 487032104 /nfs/dbraw/zinc/03/21/04/487032104.db2.gz PKPUBFYKDHWSKY-MVWJERBFSA-N 1 3 196.338 2.035 20 0 AEADHO CCC[C@H](C)[NH2+][C@H]1CCC[C@@H](N)C1 222879303 487034252 /nfs/dbraw/zinc/03/42/52/487034252.db2.gz IKUQMKGUWNCFCA-AXFHLTTASA-N 1 3 184.327 2.035 20 0 AEADHO CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](N)C1 222879177 487034533 /nfs/dbraw/zinc/03/45/33/487034533.db2.gz IKUQMKGUWNCFCA-HBNTYKKESA-N 1 3 184.327 2.035 20 0 AEADHO CC[C@H](C)C[N@@H+]1CCC[C@@H]([C@@H](C)N)C1 224886386 487041058 /nfs/dbraw/zinc/04/10/58/487041058.db2.gz XWBZBTUPGYJCRV-QJPTWQEYSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@H](C)C[N@H+]1CCC[C@@H]([C@@H](C)N)C1 224886386 487041059 /nfs/dbraw/zinc/04/10/59/487041059.db2.gz XWBZBTUPGYJCRV-QJPTWQEYSA-N 1 3 198.354 2.092 20 0 AEADHO C[C@H](C1CCCCC1)[N@H+](C)CCCN 227743987 487056342 /nfs/dbraw/zinc/05/63/42/487056342.db2.gz MCLPBLMAPFFHEI-LLVKDONJSA-N 1 3 198.354 2.236 20 0 AEADHO CC[C@H](C)C[N@@H+]1CC[C@@H](N)[C@@H](CC)C1 226016271 487045454 /nfs/dbraw/zinc/04/54/54/487045454.db2.gz BYZODUDTWPPNSJ-SDDRHHMPSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@H](C)C[N@H+]1CC[C@@H](N)[C@@H](CC)C1 226016271 487045457 /nfs/dbraw/zinc/04/54/57/487045457.db2.gz BYZODUDTWPPNSJ-SDDRHHMPSA-N 1 3 198.354 2.092 20 0 AEADHO CCCCC[N@@H+]1CC[C@@H](N)[C@@H](CC)C1 226008692 487045501 /nfs/dbraw/zinc/04/55/01/487045501.db2.gz WYQVEGUUHOWXQB-NWDGAFQWSA-N 1 3 198.354 2.236 20 0 AEADHO CCCCC[N@H+]1CC[C@@H](N)[C@@H](CC)C1 226008692 487045506 /nfs/dbraw/zinc/04/55/06/487045506.db2.gz WYQVEGUUHOWXQB-NWDGAFQWSA-N 1 3 198.354 2.236 20 0 AEADHO CCCCCN1CC[C@@H]([NH3+])[C@@H](CC)C1 226008692 487045508 /nfs/dbraw/zinc/04/55/08/487045508.db2.gz WYQVEGUUHOWXQB-NWDGAFQWSA-N 1 3 198.354 2.236 20 0 AEADHO CCCC[C@@H](CCC)[NH2+][C@H]1CCNC1 226008594 487045521 /nfs/dbraw/zinc/04/55/21/487045521.db2.gz VUHZDZWULDIQOA-NEPJUHHUSA-N 1 3 198.354 2.297 20 0 AEADHO CCCC[C@H](CCC)[NH2+][C@H]1CCNC1 226008603 487045656 /nfs/dbraw/zinc/04/56/56/487045656.db2.gz VUHZDZWULDIQOA-RYUDHWBXSA-N 1 3 198.354 2.297 20 0 AEADHO CCCC[C@H](CCC)[NH2+][C@@H]1CCNC1 226008582 487045742 /nfs/dbraw/zinc/04/57/42/487045742.db2.gz VUHZDZWULDIQOA-NWDGAFQWSA-N 1 3 198.354 2.297 20 0 AEADHO CCCCC[N@@H+]1CC[C@H](N)[C@@H](CC)C1 226008704 487045759 /nfs/dbraw/zinc/04/57/59/487045759.db2.gz WYQVEGUUHOWXQB-RYUDHWBXSA-N 1 3 198.354 2.236 20 0 AEADHO CCCCC[N@H+]1CC[C@H](N)[C@@H](CC)C1 226008704 487045762 /nfs/dbraw/zinc/04/57/62/487045762.db2.gz WYQVEGUUHOWXQB-RYUDHWBXSA-N 1 3 198.354 2.236 20 0 AEADHO CCCCCN1CC[C@H]([NH3+])[C@@H](CC)C1 226008704 487045765 /nfs/dbraw/zinc/04/57/65/487045765.db2.gz WYQVEGUUHOWXQB-RYUDHWBXSA-N 1 3 198.354 2.236 20 0 AEADHO CCCC[C@@H](CCC)[NH2+][C@@H]1CCNC1 226008570 487045969 /nfs/dbraw/zinc/04/59/69/487045969.db2.gz VUHZDZWULDIQOA-VXGBXAGGSA-N 1 3 198.354 2.297 20 0 AEADHO CCC(CC)C[N@@H+]1CC[C@H](N)[C@@H](C)C1 227055402 487053615 /nfs/dbraw/zinc/05/36/15/487053615.db2.gz IJYYJRHIXFFXDU-JQWIXIFHSA-N 1 3 198.354 2.092 20 0 AEADHO CCC(CC)C[N@H+]1CC[C@H](N)[C@@H](C)C1 227055402 487053617 /nfs/dbraw/zinc/05/36/17/487053617.db2.gz IJYYJRHIXFFXDU-JQWIXIFHSA-N 1 3 198.354 2.092 20 0 AEADHO CCC(CC)C[N@@H+]1CC[C@@H](N)[C@@H](C)C1 227055391 487054316 /nfs/dbraw/zinc/05/43/16/487054316.db2.gz IJYYJRHIXFFXDU-CMPLNLGQSA-N 1 3 198.354 2.092 20 0 AEADHO CCC(CC)C[N@H+]1CC[C@@H](N)[C@@H](C)C1 227055391 487054321 /nfs/dbraw/zinc/05/43/21/487054321.db2.gz IJYYJRHIXFFXDU-CMPLNLGQSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@@H](C)[N@H+](C)CC[C@@H](N)C(C)C 227730728 487055569 /nfs/dbraw/zinc/05/55/69/487055569.db2.gz BWBIMQWSVBOFNN-GHMZBOCLSA-N 1 3 186.343 2.090 20 0 AEADHO CC[C@@H](C)[N@@H+](C)CC[C@@H](N)C(C)C 227730728 487055571 /nfs/dbraw/zinc/05/55/71/487055571.db2.gz BWBIMQWSVBOFNN-GHMZBOCLSA-N 1 3 186.343 2.090 20 0 AEADHO CC[C@@H](C)N(C)CC[C@@H]([NH3+])C(C)C 227730728 487055573 /nfs/dbraw/zinc/05/55/73/487055573.db2.gz BWBIMQWSVBOFNN-GHMZBOCLSA-N 1 3 186.343 2.090 20 0 AEADHO CC[C@H](C)[N@H+](C)CC[C@@H](N)C(C)C 227730733 487055613 /nfs/dbraw/zinc/05/56/13/487055613.db2.gz BWBIMQWSVBOFNN-WDEREUQCSA-N 1 3 186.343 2.090 20 0 AEADHO CC[C@H](C)[N@@H+](C)CC[C@@H](N)C(C)C 227730733 487055614 /nfs/dbraw/zinc/05/56/14/487055614.db2.gz BWBIMQWSVBOFNN-WDEREUQCSA-N 1 3 186.343 2.090 20 0 AEADHO CC[C@H](C)N(C)CC[C@@H]([NH3+])C(C)C 227730733 487055619 /nfs/dbraw/zinc/05/56/19/487055619.db2.gz BWBIMQWSVBOFNN-WDEREUQCSA-N 1 3 186.343 2.090 20 0 AEADHO C[C@@H](C1CCCCC1)[N@H+](C)CCCN 227743985 487055712 /nfs/dbraw/zinc/05/57/12/487055712.db2.gz MCLPBLMAPFFHEI-NSHDSACASA-N 1 3 198.354 2.236 20 0 AEADHO C[C@@H](C1CCCCC1)[N@@H+](C)CCCN 227743985 487055717 /nfs/dbraw/zinc/05/57/17/487055717.db2.gz MCLPBLMAPFFHEI-NSHDSACASA-N 1 3 198.354 2.236 20 0 AEADHO C[N@H+](CCCN)CC1CCCCCC1 227743912 487055860 /nfs/dbraw/zinc/05/58/60/487055860.db2.gz TYOMQGSDEKJZGE-UHFFFAOYSA-N 1 3 198.354 2.237 20 0 AEADHO C[N@@H+](CCCN)CC1CCCCCC1 227743912 487055865 /nfs/dbraw/zinc/05/58/65/487055865.db2.gz TYOMQGSDEKJZGE-UHFFFAOYSA-N 1 3 198.354 2.237 20 0 AEADHO CN(CCC[NH3+])CC1CCCCCC1 227743912 487055870 /nfs/dbraw/zinc/05/58/70/487055870.db2.gz TYOMQGSDEKJZGE-UHFFFAOYSA-N 1 3 198.354 2.237 20 0 AEADHO C[C@H]1CCC[C@H](CN(C)CCC[NH3+])C1 227744682 487056084 /nfs/dbraw/zinc/05/60/84/487056084.db2.gz SXXCFMZSUPRGKT-RYUDHWBXSA-N 1 3 198.354 2.093 20 0 AEADHO C[C@H]1CCC[C@H](C[N@H+](C)CCCN)C1 227744682 487056075 /nfs/dbraw/zinc/05/60/75/487056075.db2.gz SXXCFMZSUPRGKT-RYUDHWBXSA-N 1 3 198.354 2.093 20 0 AEADHO C[C@H]1CCC[C@H](C[N@@H+](C)CCCN)C1 227744682 487056081 /nfs/dbraw/zinc/05/60/81/487056081.db2.gz SXXCFMZSUPRGKT-RYUDHWBXSA-N 1 3 198.354 2.093 20 0 AEADHO C[C@H]1CCC[C@@H](C[N@H+](C)CCCN)C1 227744667 487056241 /nfs/dbraw/zinc/05/62/41/487056241.db2.gz SXXCFMZSUPRGKT-NWDGAFQWSA-N 1 3 198.354 2.093 20 0 AEADHO C[C@H]1CCC[C@@H](C[N@@H+](C)CCCN)C1 227744667 487056245 /nfs/dbraw/zinc/05/62/45/487056245.db2.gz SXXCFMZSUPRGKT-NWDGAFQWSA-N 1 3 198.354 2.093 20 0 AEADHO C[C@H]1CCC[C@@H](CN(C)CCC[NH3+])C1 227744667 487056250 /nfs/dbraw/zinc/05/62/50/487056250.db2.gz SXXCFMZSUPRGKT-NWDGAFQWSA-N 1 3 198.354 2.093 20 0 AEADHO C[C@H](C1CCCCC1)[N@@H+](C)CCCN 227743987 487056346 /nfs/dbraw/zinc/05/63/46/487056346.db2.gz MCLPBLMAPFFHEI-LLVKDONJSA-N 1 3 198.354 2.236 20 0 AEADHO C[C@@H]1CCC[C@@H](C[N@H+](C)CCCN)C1 227744661 487056405 /nfs/dbraw/zinc/05/64/05/487056405.db2.gz SXXCFMZSUPRGKT-VXGBXAGGSA-N 1 3 198.354 2.093 20 0 AEADHO C[C@@H]1CCC[C@@H](C[N@@H+](C)CCCN)C1 227744661 487056408 /nfs/dbraw/zinc/05/64/08/487056408.db2.gz SXXCFMZSUPRGKT-VXGBXAGGSA-N 1 3 198.354 2.093 20 0 AEADHO C[C@@H]1CCC[C@@H](CN(C)CCC[NH3+])C1 227744661 487056411 /nfs/dbraw/zinc/05/64/11/487056411.db2.gz SXXCFMZSUPRGKT-VXGBXAGGSA-N 1 3 198.354 2.093 20 0 AEADHO C[C@@H]1CCC[C@H](C[N@H+](C)CCCN)C1 227744675 487056542 /nfs/dbraw/zinc/05/65/42/487056542.db2.gz SXXCFMZSUPRGKT-NEPJUHHUSA-N 1 3 198.354 2.093 20 0 AEADHO C[C@@H]1CCC[C@H](C[N@@H+](C)CCCN)C1 227744675 487056545 /nfs/dbraw/zinc/05/65/45/487056545.db2.gz SXXCFMZSUPRGKT-NEPJUHHUSA-N 1 3 198.354 2.093 20 0 AEADHO C[C@@H]1CCC[C@H](CN(C)CCC[NH3+])C1 227744675 487056549 /nfs/dbraw/zinc/05/65/49/487056549.db2.gz SXXCFMZSUPRGKT-NEPJUHHUSA-N 1 3 198.354 2.093 20 0 AEADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)C(C)(C)C 228950538 487062988 /nfs/dbraw/zinc/06/29/88/487062988.db2.gz JJQGQUGMWPTFIY-HBNTYKKESA-N 1 3 198.354 2.281 20 0 AEADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)C1 228903078 487063042 /nfs/dbraw/zinc/06/30/42/487063042.db2.gz IQYRUIOWGBAMLQ-KKOKHZNYSA-N 1 3 196.338 2.035 20 0 AEADHO CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1CN 228861492 487063055 /nfs/dbraw/zinc/06/30/55/487063055.db2.gz FYJLLXSJCSWKBX-NWDGAFQWSA-N 1 3 196.338 2.060 20 0 AEADHO CC(C)=CCN[C@@H]1CCCC[C@H]1C[NH3+] 228861492 487063060 /nfs/dbraw/zinc/06/30/60/487063060.db2.gz FYJLLXSJCSWKBX-NWDGAFQWSA-N 1 3 196.338 2.060 20 0 AEADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N)C1)C(C)(C)C 228950557 487063115 /nfs/dbraw/zinc/06/31/15/487063115.db2.gz JJQGQUGMWPTFIY-AXFHLTTASA-N 1 3 198.354 2.281 20 0 AEADHO CC(C)=CC[NH2+][C@H]1CCCC[C@H]1CN 228861501 487063213 /nfs/dbraw/zinc/06/32/13/487063213.db2.gz FYJLLXSJCSWKBX-RYUDHWBXSA-N 1 3 196.338 2.060 20 0 AEADHO CC(C)=CCN[C@H]1CCCC[C@H]1C[NH3+] 228861501 487063216 /nfs/dbraw/zinc/06/32/16/487063216.db2.gz FYJLLXSJCSWKBX-RYUDHWBXSA-N 1 3 196.338 2.060 20 0 AEADHO CC(C)=CC[NH2+][C@@H]1CCCC[C@@H]1CN 228861477 487063275 /nfs/dbraw/zinc/06/32/75/487063275.db2.gz FYJLLXSJCSWKBX-VXGBXAGGSA-N 1 3 196.338 2.060 20 0 AEADHO CC(C)=CCN[C@@H]1CCCC[C@@H]1C[NH3+] 228861477 487063279 /nfs/dbraw/zinc/06/32/79/487063279.db2.gz FYJLLXSJCSWKBX-VXGBXAGGSA-N 1 3 196.338 2.060 20 0 AEADHO CC(C)=CC[NH2+][C@H]1CCCC[C@@H]1CN 228861486 487063346 /nfs/dbraw/zinc/06/33/46/487063346.db2.gz FYJLLXSJCSWKBX-NEPJUHHUSA-N 1 3 196.338 2.060 20 0 AEADHO CC(C)=CCN[C@H]1CCCC[C@@H]1C[NH3+] 228861486 487063350 /nfs/dbraw/zinc/06/33/50/487063350.db2.gz FYJLLXSJCSWKBX-NEPJUHHUSA-N 1 3 196.338 2.060 20 0 AEADHO CC[NH+](CC)CCCN1CC[C@H](C)C1 682677881 487066452 /nfs/dbraw/zinc/06/64/52/487066452.db2.gz HJADZRYATRVJPW-LBPRGKRZSA-N 1 3 198.354 2.060 20 0 AEADHO CCN(CC)CCC[N@@H+]1CC[C@H](C)C1 682677881 487066454 /nfs/dbraw/zinc/06/64/54/487066454.db2.gz HJADZRYATRVJPW-LBPRGKRZSA-N 1 3 198.354 2.060 20 0 AEADHO CCN(CC)CCC[N@H+]1CC[C@H](C)C1 682677881 487066457 /nfs/dbraw/zinc/06/64/57/487066457.db2.gz HJADZRYATRVJPW-LBPRGKRZSA-N 1 3 198.354 2.060 20 0 AEADHO CCN(CC)CCC[N@H+]1CC[C@@H](C)C1 682677880 487066831 /nfs/dbraw/zinc/06/68/31/487066831.db2.gz HJADZRYATRVJPW-GFCCVEGCSA-N 1 3 198.354 2.060 20 0 AEADHO CC[NH+](CC)CCCN1CC[C@@H](C)C1 682677880 487066824 /nfs/dbraw/zinc/06/68/24/487066824.db2.gz HJADZRYATRVJPW-GFCCVEGCSA-N 1 3 198.354 2.060 20 0 AEADHO CCN(CC)CCC[N@@H+]1CC[C@@H](C)C1 682677880 487066829 /nfs/dbraw/zinc/06/68/29/487066829.db2.gz HJADZRYATRVJPW-GFCCVEGCSA-N 1 3 198.354 2.060 20 0 AEADHO CCC[NH2+]CCN[C@H](CC)CCC 231276470 487077338 /nfs/dbraw/zinc/07/73/38/487077338.db2.gz ROZBFIFWAVUWTO-LLVKDONJSA-N 1 3 186.343 2.154 20 0 AEADHO CCC[NH2+]CCN[C@@H](CC)CCC 231276478 487077356 /nfs/dbraw/zinc/07/73/56/487077356.db2.gz ROZBFIFWAVUWTO-NSHDSACASA-N 1 3 186.343 2.154 20 0 AEADHO CC(C)CCCNC[C@@H]1CCCC[NH2+]1 232544043 487082575 /nfs/dbraw/zinc/08/25/75/487082575.db2.gz JVKOLYJVCNPQDG-LBPRGKRZSA-N 1 3 198.354 2.154 20 0 AEADHO CC(C)(C)CCNC[C@@H]1CCCC[NH2+]1 232492796 487082760 /nfs/dbraw/zinc/08/27/60/487082760.db2.gz XTJPGEUYDJZBEA-NSHDSACASA-N 1 3 198.354 2.154 20 0 AEADHO CC(C)CCCNC[C@H]1CCCC[NH2+]1 232544235 487082786 /nfs/dbraw/zinc/08/27/86/487082786.db2.gz JVKOLYJVCNPQDG-GFCCVEGCSA-N 1 3 198.354 2.154 20 0 AEADHO CC(C)(C)CCNC[C@H]1CCCC[NH2+]1 232493016 487083554 /nfs/dbraw/zinc/08/35/54/487083554.db2.gz XTJPGEUYDJZBEA-LLVKDONJSA-N 1 3 198.354 2.154 20 0 AEADHO CC[NH+](CC)CCCN1CCC[C@H]1C 683141246 487084947 /nfs/dbraw/zinc/08/49/47/487084947.db2.gz SEKSGVGTTZKZBK-GFCCVEGCSA-N 1 3 198.354 2.203 20 0 AEADHO CCN(CC)CCC[N@@H+]1CCC[C@H]1C 683141246 487084949 /nfs/dbraw/zinc/08/49/49/487084949.db2.gz SEKSGVGTTZKZBK-GFCCVEGCSA-N 1 3 198.354 2.203 20 0 AEADHO CCN(CC)CCC[N@H+]1CCC[C@H]1C 683141246 487084952 /nfs/dbraw/zinc/08/49/52/487084952.db2.gz SEKSGVGTTZKZBK-GFCCVEGCSA-N 1 3 198.354 2.203 20 0 AEADHO CC[NH+](CC)CCCN1CCC[C@@H]1C 683141247 487085215 /nfs/dbraw/zinc/08/52/15/487085215.db2.gz SEKSGVGTTZKZBK-LBPRGKRZSA-N 1 3 198.354 2.203 20 0 AEADHO CCN(CC)CCC[N@@H+]1CCC[C@@H]1C 683141247 487085219 /nfs/dbraw/zinc/08/52/19/487085219.db2.gz SEKSGVGTTZKZBK-LBPRGKRZSA-N 1 3 198.354 2.203 20 0 AEADHO CCN(CC)CCC[N@H+]1CCC[C@@H]1C 683141247 487085224 /nfs/dbraw/zinc/08/52/24/487085224.db2.gz SEKSGVGTTZKZBK-LBPRGKRZSA-N 1 3 198.354 2.203 20 0 AEADHO CCC1(C[NH2+][C@H]2CCC[C@@H](N)C2)CC1 232883811 487086478 /nfs/dbraw/zinc/08/64/78/487086478.db2.gz VATKAFKYZOEQME-MNOVXSKESA-N 1 3 196.338 2.036 20 0 AEADHO CCCC[N@@H+]1CCC[C@H](N(C)C)CC1 683227306 487086798 /nfs/dbraw/zinc/08/67/98/487086798.db2.gz ZKVFRGUAUXIVNG-LBPRGKRZSA-N 1 3 198.354 2.203 20 0 AEADHO CCCC[N@H+]1CCC[C@H](N(C)C)CC1 683227306 487086801 /nfs/dbraw/zinc/08/68/01/487086801.db2.gz ZKVFRGUAUXIVNG-LBPRGKRZSA-N 1 3 198.354 2.203 20 0 AEADHO CCCCN1CCC[C@H]([NH+](C)C)CC1 683227306 487086805 /nfs/dbraw/zinc/08/68/05/487086805.db2.gz ZKVFRGUAUXIVNG-LBPRGKRZSA-N 1 3 198.354 2.203 20 0 AEADHO CCC1(C[NH2+][C@H]2CCC[C@H](N)C2)CC1 232886134 487087146 /nfs/dbraw/zinc/08/71/46/487087146.db2.gz VATKAFKYZOEQME-QWRGUYRKSA-N 1 3 196.338 2.036 20 0 AEADHO CCCC[N@@H+]1CCC[C@@H](N(C)C)CC1 683227304 487087334 /nfs/dbraw/zinc/08/73/34/487087334.db2.gz ZKVFRGUAUXIVNG-GFCCVEGCSA-N 1 3 198.354 2.203 20 0 AEADHO CCCC[N@H+]1CCC[C@@H](N(C)C)CC1 683227304 487087336 /nfs/dbraw/zinc/08/73/36/487087336.db2.gz ZKVFRGUAUXIVNG-GFCCVEGCSA-N 1 3 198.354 2.203 20 0 AEADHO CCCCN1CCC[C@@H]([NH+](C)C)CC1 683227304 487087340 /nfs/dbraw/zinc/08/73/40/487087340.db2.gz ZKVFRGUAUXIVNG-GFCCVEGCSA-N 1 3 198.354 2.203 20 0 AEADHO CCC(C)(C)C[NH2+][C@H]1CCC[C@H](N)C1 233001348 487087596 /nfs/dbraw/zinc/08/75/96/487087596.db2.gz WDGCGKWKNUWQRW-QWRGUYRKSA-N 1 3 198.354 2.282 20 0 AEADHO CCC(C)(C)C[NH2+][C@H]1CCC[C@H]1CN 233001449 487087649 /nfs/dbraw/zinc/08/76/49/487087649.db2.gz SVXALIWJGQRVND-QWRGUYRKSA-N 1 3 198.354 2.140 20 0 AEADHO CCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1CN 232982368 487087672 /nfs/dbraw/zinc/08/76/72/487087672.db2.gz SVXALIWJGQRVND-WDEREUQCSA-N 1 3 198.354 2.140 20 0 AEADHO CCC(C)(C)C[NH2+][C@@H]1CCC[C@H](N)C1 232982275 487087697 /nfs/dbraw/zinc/08/76/97/487087697.db2.gz WDGCGKWKNUWQRW-WDEREUQCSA-N 1 3 198.354 2.282 20 0 AEADHO CCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1CN 232981763 487087726 /nfs/dbraw/zinc/08/77/26/487087726.db2.gz SVXALIWJGQRVND-GHMZBOCLSA-N 1 3 198.354 2.140 20 0 AEADHO CCC(C)(C)C[NH2+][C@@H]1CCC[C@@H](N)C1 232981649 487087730 /nfs/dbraw/zinc/08/77/30/487087730.db2.gz WDGCGKWKNUWQRW-GHMZBOCLSA-N 1 3 198.354 2.282 20 0 AEADHO CCC(C)(C)C[NH2+][C@H]1CCC[C@@H](N)C1 233000803 487087866 /nfs/dbraw/zinc/08/78/66/487087866.db2.gz WDGCGKWKNUWQRW-MNOVXSKESA-N 1 3 198.354 2.282 20 0 AEADHO CCC(C)(C)C[NH2+][C@H]1CCC[C@@H]1CN 233000895 487087986 /nfs/dbraw/zinc/08/79/86/487087986.db2.gz SVXALIWJGQRVND-MNOVXSKESA-N 1 3 198.354 2.140 20 0 AEADHO CCC(C)(C)C[NH2+][C@H]1CCCNCC1 233000323 487088065 /nfs/dbraw/zinc/08/80/65/487088065.db2.gz ZFXHKOACUZLGSN-NSHDSACASA-N 1 3 198.354 2.154 20 0 AEADHO CCC(C)(C)C[NH2+][C@@H]1CCCNCC1 232980980 487088482 /nfs/dbraw/zinc/08/84/82/487088482.db2.gz ZFXHKOACUZLGSN-LLVKDONJSA-N 1 3 198.354 2.154 20 0 AEADHO CCC[C@@H](C)[NH2+]C[C@]1(C)CCCNC1 233277438 487088733 /nfs/dbraw/zinc/08/87/33/487088733.db2.gz UEDLAXJVCYOJQW-VXGBXAGGSA-N 1 3 198.354 2.154 20 0 AEADHO CCC[C@@H](C)NC1C[C@@H]2CC[C@H](C1)[NH2+]2 233279606 487089020 /nfs/dbraw/zinc/08/90/20/487089020.db2.gz RSSULXNECSGZMC-YIBTVLSRSA-N 1 3 196.338 2.048 20 0 AEADHO CCC[C@@H](C)[NH2+]C[C@@]1(C)CCCNC1 233281711 487089172 /nfs/dbraw/zinc/08/91/72/487089172.db2.gz UEDLAXJVCYOJQW-NEPJUHHUSA-N 1 3 198.354 2.154 20 0 AEADHO CCC1(C[NH2+][C@@H]2CCC[C@H](N)C2)CC1 233089430 487089379 /nfs/dbraw/zinc/08/93/79/487089379.db2.gz VATKAFKYZOEQME-WDEREUQCSA-N 1 3 196.338 2.036 20 0 AEADHO CCC1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CC1 233088942 487089669 /nfs/dbraw/zinc/08/96/69/487089669.db2.gz VATKAFKYZOEQME-GHMZBOCLSA-N 1 3 196.338 2.036 20 0 AEADHO CCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCNC1 233338590 487089979 /nfs/dbraw/zinc/08/99/79/487089979.db2.gz MZKCOOKRGQMZPW-SDDRHHMPSA-N 1 3 198.354 2.153 20 0 AEADHO CCC[C@H](C)NC1C[C@@H]2CC[C@H](C1)[NH2+]2 233336503 487090005 /nfs/dbraw/zinc/09/00/05/487090005.db2.gz RSSULXNECSGZMC-WSMDXJOWSA-N 1 3 196.338 2.048 20 0 AEADHO CCC[C@H](C)[NH2+]C[C@]1(C)CCCNC1 233337525 487090368 /nfs/dbraw/zinc/09/03/68/487090368.db2.gz UEDLAXJVCYOJQW-NWDGAFQWSA-N 1 3 198.354 2.154 20 0 AEADHO CCC[C@H](C)[NH2+]C[C@@]1(C)CCCNC1 233338275 487090694 /nfs/dbraw/zinc/09/06/94/487090694.db2.gz UEDLAXJVCYOJQW-RYUDHWBXSA-N 1 3 198.354 2.154 20 0 AEADHO CCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCNC1 233338832 487091280 /nfs/dbraw/zinc/09/12/80/487091280.db2.gz MZKCOOKRGQMZPW-QJPTWQEYSA-N 1 3 198.354 2.153 20 0 AEADHO CCCCC[N@H+]1CCC[C@H]([C@H](C)N)C1 249798654 487111958 /nfs/dbraw/zinc/11/19/58/487111958.db2.gz MMADHBRUNHBDPJ-RYUDHWBXSA-N 1 3 198.354 2.236 20 0 AEADHO CCCCC[N@@H+]1CCC[C@@H]([C@H](C)N)C1 249798648 487111821 /nfs/dbraw/zinc/11/18/21/487111821.db2.gz MMADHBRUNHBDPJ-NWDGAFQWSA-N 1 3 198.354 2.236 20 0 AEADHO CCCCC[N@H+]1CCC[C@@H]([C@H](C)N)C1 249798648 487111828 /nfs/dbraw/zinc/11/18/28/487111828.db2.gz MMADHBRUNHBDPJ-NWDGAFQWSA-N 1 3 198.354 2.236 20 0 AEADHO CCCCC[N@@H+]1CCC[C@H]([C@H](C)N)C1 249798654 487111954 /nfs/dbraw/zinc/11/19/54/487111954.db2.gz MMADHBRUNHBDPJ-RYUDHWBXSA-N 1 3 198.354 2.236 20 0 AEADHO CC(C)CC[N@@H+]1CCC[C@@H]([C@H](C)N)C1 250601202 487113535 /nfs/dbraw/zinc/11/35/35/487113535.db2.gz ROQIUAMEASAYEP-NWDGAFQWSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)CC[N@H+]1CCC[C@@H]([C@H](C)N)C1 250601202 487113536 /nfs/dbraw/zinc/11/35/36/487113536.db2.gz ROQIUAMEASAYEP-NWDGAFQWSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)CC[N@@H+]1CCC[C@H]([C@H](C)N)C1 250601205 487113650 /nfs/dbraw/zinc/11/36/50/487113650.db2.gz ROQIUAMEASAYEP-RYUDHWBXSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)CC[N@H+]1CCC[C@H]([C@H](C)N)C1 250601205 487113652 /nfs/dbraw/zinc/11/36/52/487113652.db2.gz ROQIUAMEASAYEP-RYUDHWBXSA-N 1 3 198.354 2.092 20 0 AEADHO CCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1CN 251324233 487117086 /nfs/dbraw/zinc/11/70/86/487117086.db2.gz MHIPMAVAUQXVFS-SRVKXCTJSA-N 1 3 198.354 2.282 20 0 AEADHO CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CN 251324231 487117391 /nfs/dbraw/zinc/11/73/91/487117391.db2.gz MHIPMAVAUQXVFS-SDDRHHMPSA-N 1 3 198.354 2.282 20 0 AEADHO CC(C)[C@H](C)[NH2+][C@H]1CCCC[C@H]1CN 251309808 487117404 /nfs/dbraw/zinc/11/74/04/487117404.db2.gz JTSXILOWDOADEI-SRVKXCTJSA-N 1 3 198.354 2.138 20 0 AEADHO CC(C)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CN 251309806 487117419 /nfs/dbraw/zinc/11/74/19/487117419.db2.gz JTSXILOWDOADEI-SDDRHHMPSA-N 1 3 198.354 2.138 20 0 AEADHO CC[C@H](C)C[N@@H+]1CC[C@@H](N)[C@H](CC)C1 251573282 487118186 /nfs/dbraw/zinc/11/81/86/487118186.db2.gz BYZODUDTWPPNSJ-QJPTWQEYSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@H](C)C[N@H+]1CC[C@@H](N)[C@H](CC)C1 251573282 487118191 /nfs/dbraw/zinc/11/81/91/487118191.db2.gz BYZODUDTWPPNSJ-QJPTWQEYSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@@H]1C[N@H+](CCC(C)C)CC[C@H]1N 251883922 487120195 /nfs/dbraw/zinc/12/01/95/487120195.db2.gz VLMJLMXZXWKZKM-VXGBXAGGSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@@H]1C[N@@H+](CCC(C)C)CC[C@H]1N 251883922 487120199 /nfs/dbraw/zinc/12/01/99/487120199.db2.gz VLMJLMXZXWKZKM-VXGBXAGGSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@@H]1CN(CCC(C)C)CC[C@H]1[NH3+] 251883922 487120202 /nfs/dbraw/zinc/12/02/02/487120202.db2.gz VLMJLMXZXWKZKM-VXGBXAGGSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1CN 251757324 487120281 /nfs/dbraw/zinc/12/02/81/487120281.db2.gz HJHSUHXPPYRUBY-SDDRHHMPSA-N 1 3 198.354 2.140 20 0 AEADHO CC(C)CCCN1CC[C@@H]([NH3+])[C@H](C)C1 251878927 487120453 /nfs/dbraw/zinc/12/04/53/487120453.db2.gz UPFIQEOEGYXBAZ-VXGBXAGGSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)CCC[N@@H+]1CC[C@@H](N)[C@H](C)C1 251878927 487120455 /nfs/dbraw/zinc/12/04/55/487120455.db2.gz UPFIQEOEGYXBAZ-VXGBXAGGSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)CCC[N@H+]1CC[C@@H](N)[C@H](C)C1 251878927 487120457 /nfs/dbraw/zinc/12/04/57/487120457.db2.gz UPFIQEOEGYXBAZ-VXGBXAGGSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@H]1C[N@H+](CCC(C)C)CC[C@H]1N 251883919 487120747 /nfs/dbraw/zinc/12/07/47/487120747.db2.gz VLMJLMXZXWKZKM-NWDGAFQWSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@H]1C[N@@H+](CCC(C)C)CC[C@H]1N 251883919 487120752 /nfs/dbraw/zinc/12/07/52/487120752.db2.gz VLMJLMXZXWKZKM-NWDGAFQWSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@H]1CN(CCC(C)C)CC[C@H]1[NH3+] 251883919 487120758 /nfs/dbraw/zinc/12/07/58/487120758.db2.gz VLMJLMXZXWKZKM-NWDGAFQWSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCNC1 251749033 487120799 /nfs/dbraw/zinc/12/07/99/487120799.db2.gz GTXVCOMNTYQORP-SRVKXCTJSA-N 1 3 198.354 2.010 20 0 AEADHO CC[C@H](C)C[NH2+][C@H]1CCCC[C@H]1CN 251757326 487120852 /nfs/dbraw/zinc/12/08/52/487120852.db2.gz HJHSUHXPPYRUBY-SRVKXCTJSA-N 1 3 198.354 2.140 20 0 AEADHO CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCNC1 251749037 487120959 /nfs/dbraw/zinc/12/09/59/487120959.db2.gz GTXVCOMNTYQORP-TUAOUCFPSA-N 1 3 198.354 2.010 20 0 AEADHO CC[C@H](C)C[N@@H+]1CCC[C@H]([C@H](C)N)C1 252023664 487121722 /nfs/dbraw/zinc/12/17/22/487121722.db2.gz XWBZBTUPGYJCRV-SRVKXCTJSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@H](C)C[N@H+]1CCC[C@H]([C@H](C)N)C1 252023664 487121729 /nfs/dbraw/zinc/12/17/29/487121729.db2.gz XWBZBTUPGYJCRV-SRVKXCTJSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@H](C)C[N@@H+]1CCCC[C@H]1CCN 251941748 487121901 /nfs/dbraw/zinc/12/19/01/487121901.db2.gz SNRJFFUNOLUCNR-RYUDHWBXSA-N 1 3 198.354 2.236 20 0 AEADHO CC[C@H](C)C[N@H+]1CCCC[C@H]1CCN 251941748 487121907 /nfs/dbraw/zinc/12/19/07/487121907.db2.gz SNRJFFUNOLUCNR-RYUDHWBXSA-N 1 3 198.354 2.236 20 0 AEADHO CC[C@H](C)C[N@@H+]1CCC[C@@H]([C@H](C)N)C1 252023663 487122034 /nfs/dbraw/zinc/12/20/34/487122034.db2.gz XWBZBTUPGYJCRV-SDDRHHMPSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@H](C)C[N@H+]1CCC[C@@H]([C@H](C)N)C1 252023663 487122039 /nfs/dbraw/zinc/12/20/39/487122039.db2.gz XWBZBTUPGYJCRV-SDDRHHMPSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@@H](N)C1 251933129 487122144 /nfs/dbraw/zinc/12/21/44/487122144.db2.gz RNXJVVHCFZJSQM-YFKTTZPYSA-N 1 3 198.354 2.281 20 0 AEADHO CC[C@@H](C)C[N@@H+]1CCCC[C@H]1CCN 251941746 487122209 /nfs/dbraw/zinc/12/22/09/487122209.db2.gz SNRJFFUNOLUCNR-NEPJUHHUSA-N 1 3 198.354 2.236 20 0 AEADHO CC[C@@H](C)C[N@H+]1CCCC[C@H]1CCN 251941746 487122213 /nfs/dbraw/zinc/12/22/13/487122213.db2.gz SNRJFFUNOLUCNR-NEPJUHHUSA-N 1 3 198.354 2.236 20 0 AEADHO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@H](N)C1 251933128 487122421 /nfs/dbraw/zinc/12/24/21/487122421.db2.gz RNXJVVHCFZJSQM-BJDJZHNGSA-N 1 3 198.354 2.281 20 0 AEADHO CCC[C@H](C)[N@H+](C)C[C@H]1CCCNC1 252405503 487124139 /nfs/dbraw/zinc/12/41/39/487124139.db2.gz DYXFMTWYJJDFLV-RYUDHWBXSA-N 1 3 198.354 2.106 20 0 AEADHO CCC[C@H](C)[N@@H+](C)C[C@H]1CCCNC1 252405503 487124145 /nfs/dbraw/zinc/12/41/45/487124145.db2.gz DYXFMTWYJJDFLV-RYUDHWBXSA-N 1 3 198.354 2.106 20 0 AEADHO CCC[C@@H](C)[N@H+](C)C[C@H]1CCCNC1 252405501 487124198 /nfs/dbraw/zinc/12/41/98/487124198.db2.gz DYXFMTWYJJDFLV-NEPJUHHUSA-N 1 3 198.354 2.106 20 0 AEADHO CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCNC1 252405501 487124202 /nfs/dbraw/zinc/12/42/02/487124202.db2.gz DYXFMTWYJJDFLV-NEPJUHHUSA-N 1 3 198.354 2.106 20 0 AEADHO CCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 252675433 487125319 /nfs/dbraw/zinc/12/53/19/487125319.db2.gz ZTRVTUPKKGOOCL-RYUDHWBXSA-N 1 3 196.338 2.003 20 0 AEADHO CCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 252675433 487125325 /nfs/dbraw/zinc/12/53/25/487125325.db2.gz ZTRVTUPKKGOOCL-RYUDHWBXSA-N 1 3 196.338 2.003 20 0 AEADHO CCCC[NH2+][C@H]1CCN2CCC[C@H]2C1 252675433 487125327 /nfs/dbraw/zinc/12/53/27/487125327.db2.gz ZTRVTUPKKGOOCL-RYUDHWBXSA-N 1 3 196.338 2.003 20 0 AEADHO CCC(CC)C[N@@H+]1CC[C@H](N)C[C@H]1C 252683810 487125464 /nfs/dbraw/zinc/12/54/64/487125464.db2.gz FFLDRSBDFRUYER-PWSUYJOCSA-N 1 3 198.354 2.234 20 0 AEADHO CCC(CC)C[N@H+]1CC[C@H](N)C[C@H]1C 252683810 487125468 /nfs/dbraw/zinc/12/54/68/487125468.db2.gz FFLDRSBDFRUYER-PWSUYJOCSA-N 1 3 198.354 2.234 20 0 AEADHO CCC(CC)C[N@@H+]1CC[C@@H](N)C[C@H]1C 252683811 487125590 /nfs/dbraw/zinc/12/55/90/487125590.db2.gz FFLDRSBDFRUYER-ZYHUDNBSSA-N 1 3 198.354 2.234 20 0 AEADHO CCC(CC)C[N@H+]1CC[C@@H](N)C[C@H]1C 252683811 487125593 /nfs/dbraw/zinc/12/55/93/487125593.db2.gz FFLDRSBDFRUYER-ZYHUDNBSSA-N 1 3 198.354 2.234 20 0 AEADHO CCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 252675432 487125640 /nfs/dbraw/zinc/12/56/40/487125640.db2.gz ZTRVTUPKKGOOCL-NEPJUHHUSA-N 1 3 196.338 2.003 20 0 AEADHO CCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 252675432 487125643 /nfs/dbraw/zinc/12/56/43/487125643.db2.gz ZTRVTUPKKGOOCL-NEPJUHHUSA-N 1 3 196.338 2.003 20 0 AEADHO CCCC[NH2+][C@@H]1CCN2CCC[C@H]2C1 252675432 487125646 /nfs/dbraw/zinc/12/56/46/487125646.db2.gz ZTRVTUPKKGOOCL-NEPJUHHUSA-N 1 3 196.338 2.003 20 0 AEADHO CCC(CC)C[N@@H+]1CC[C@H]([C@H](C)N)C1 252767928 487127593 /nfs/dbraw/zinc/12/75/93/487127593.db2.gz GUFMCBTZCXNZLB-JQWIXIFHSA-N 1 3 198.354 2.092 20 0 AEADHO CCC(CC)C[N@H+]1CC[C@H]([C@H](C)N)C1 252767928 487127594 /nfs/dbraw/zinc/12/75/94/487127594.db2.gz GUFMCBTZCXNZLB-JQWIXIFHSA-N 1 3 198.354 2.092 20 0 AEADHO CCC(CC)C[N@@H+]1CC[C@@H]([C@H](C)N)C1 252767926 487127390 /nfs/dbraw/zinc/12/73/90/487127390.db2.gz GUFMCBTZCXNZLB-CMPLNLGQSA-N 1 3 198.354 2.092 20 0 AEADHO CCC(CC)C[N@H+]1CC[C@@H]([C@H](C)N)C1 252767926 487127393 /nfs/dbraw/zinc/12/73/93/487127393.db2.gz GUFMCBTZCXNZLB-CMPLNLGQSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCCNCC1 252795079 487127450 /nfs/dbraw/zinc/12/74/50/487127450.db2.gz ZWAXFAHMLFWJJK-TUAOUCFPSA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCNCC1 252795078 487127864 /nfs/dbraw/zinc/12/78/64/487127864.db2.gz ZWAXFAHMLFWJJK-SRVKXCTJSA-N 1 3 198.354 2.153 20 0 AEADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H](N)C2)C1 253262846 487132683 /nfs/dbraw/zinc/13/26/83/487132683.db2.gz IQYRUIOWGBAMLQ-RHYQMDGZSA-N 1 3 196.338 2.035 20 0 AEADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](N)C2)C1 253262848 487132823 /nfs/dbraw/zinc/13/28/23/487132823.db2.gz IQYRUIOWGBAMLQ-WYUUTHIRSA-N 1 3 196.338 2.035 20 0 AEADHO C[C@@H](CN)C[NH2+]CCC1CCCCC1 258745432 487134683 /nfs/dbraw/zinc/13/46/83/487134683.db2.gz LNOBXDOVXASNGV-NSHDSACASA-N 1 3 198.354 2.141 20 0 AEADHO C[C@H](CN)C[NH2+]CCC1CCCCC1 258745431 487134935 /nfs/dbraw/zinc/13/49/35/487134935.db2.gz LNOBXDOVXASNGV-LLVKDONJSA-N 1 3 198.354 2.141 20 0 AEADHO CN(CCC1CCC1)CC(C)(C)C[NH3+] 258829281 487136051 /nfs/dbraw/zinc/13/60/51/487136051.db2.gz VDADHMHRIGGRII-UHFFFAOYSA-N 1 3 198.354 2.093 20 0 AEADHO CCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCNC1 300348020 487142934 /nfs/dbraw/zinc/14/29/34/487142934.db2.gz MZKCOOKRGQMZPW-SRVKXCTJSA-N 1 3 198.354 2.153 20 0 AEADHO CCC[C@H](C)[NH2+][C@H](C)[C@H]1CCCNC1 300348021 487143079 /nfs/dbraw/zinc/14/30/79/487143079.db2.gz MZKCOOKRGQMZPW-TUAOUCFPSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)CC[NH2+][C@@H]1CCNCC1(C)C 300848689 487145719 /nfs/dbraw/zinc/14/57/19/487145719.db2.gz NISNUYGXXMGKAH-LLVKDONJSA-N 1 3 198.354 2.010 20 0 AEADHO CC(C)CC[NH2+][C@H]1CCNCC1(C)C 300848692 487145480 /nfs/dbraw/zinc/14/54/80/487145480.db2.gz NISNUYGXXMGKAH-NSHDSACASA-N 1 3 198.354 2.010 20 0 AEADHO CC[C@H](C)C[NH2+][C@H]1CCNCC1(C)C 300877687 487146453 /nfs/dbraw/zinc/14/64/53/487146453.db2.gz RUTMTWMHMZJJKI-QWRGUYRKSA-N 1 3 198.354 2.010 20 0 AEADHO CC[C@@H](C)C[NH2+][C@H]1CCNCC1(C)C 300877683 487146543 /nfs/dbraw/zinc/14/65/43/487146543.db2.gz RUTMTWMHMZJJKI-MNOVXSKESA-N 1 3 198.354 2.010 20 0 AEADHO CC[C@@H](C)C[NH2+][C@@H]1CCNCC1(C)C 300877679 487146567 /nfs/dbraw/zinc/14/65/67/487146567.db2.gz RUTMTWMHMZJJKI-GHMZBOCLSA-N 1 3 198.354 2.010 20 0 AEADHO CC[C@H](C)C[NH2+][C@@H]1CCNCC1(C)C 300878134 487146619 /nfs/dbraw/zinc/14/66/19/487146619.db2.gz RUTMTWMHMZJJKI-WDEREUQCSA-N 1 3 198.354 2.010 20 0 AEADHO CC(C)=CCCN1CC[C@@H]([NH3+])[C@@H](C)C1 306773401 487166430 /nfs/dbraw/zinc/16/64/30/487166430.db2.gz IQKPRURMSWMYFI-NWDGAFQWSA-N 1 3 196.338 2.012 20 0 AEADHO CC(C)=CCCN1CC[C@H]([NH3+])[C@@H](C)C1 306773403 487166613 /nfs/dbraw/zinc/16/66/13/487166613.db2.gz IQKPRURMSWMYFI-RYUDHWBXSA-N 1 3 196.338 2.012 20 0 AEADHO CC(C)=CCCN1CC[C@H]([NH3+])[C@H](C)C1 306773399 487166704 /nfs/dbraw/zinc/16/67/04/487166704.db2.gz IQKPRURMSWMYFI-NEPJUHHUSA-N 1 3 196.338 2.012 20 0 AEADHO CC(C)=CCCN1CC[C@@H]([NH3+])[C@H](C)C1 306773405 487166827 /nfs/dbraw/zinc/16/68/27/487166827.db2.gz IQKPRURMSWMYFI-VXGBXAGGSA-N 1 3 196.338 2.012 20 0 AEADHO CC(C)=CCCN1CC[C@@H]([NH3+])C[C@@H]1C 306985103 487170965 /nfs/dbraw/zinc/17/09/65/487170965.db2.gz MXWFXHFYMDWHSP-NWDGAFQWSA-N 1 3 196.338 2.154 20 0 AEADHO CC(C)=CCC[N@H+]1CC[C@@H](N)C[C@@H]1C 306985103 487170968 /nfs/dbraw/zinc/17/09/68/487170968.db2.gz MXWFXHFYMDWHSP-NWDGAFQWSA-N 1 3 196.338 2.154 20 0 AEADHO CC(C)=CCC[N@@H+]1CC[C@@H](N)C[C@@H]1C 306985103 487170971 /nfs/dbraw/zinc/17/09/71/487170971.db2.gz MXWFXHFYMDWHSP-NWDGAFQWSA-N 1 3 196.338 2.154 20 0 AEADHO CC(C)=CCCN1CC[C@H]([NH3+])C[C@H]1C 306985102 487171412 /nfs/dbraw/zinc/17/14/12/487171412.db2.gz MXWFXHFYMDWHSP-NEPJUHHUSA-N 1 3 196.338 2.154 20 0 AEADHO CC(C)=CCC[N@H+]1CC[C@H](N)C[C@H]1C 306985102 487171416 /nfs/dbraw/zinc/17/14/16/487171416.db2.gz MXWFXHFYMDWHSP-NEPJUHHUSA-N 1 3 196.338 2.154 20 0 AEADHO CC(C)=CCC[N@@H+]1CC[C@H](N)C[C@H]1C 306985102 487171420 /nfs/dbraw/zinc/17/14/20/487171420.db2.gz MXWFXHFYMDWHSP-NEPJUHHUSA-N 1 3 196.338 2.154 20 0 AEADHO CC(C)=CCCN1CC[C@@H]([NH3+])C[C@H]1C 306985105 487171502 /nfs/dbraw/zinc/17/15/02/487171502.db2.gz MXWFXHFYMDWHSP-VXGBXAGGSA-N 1 3 196.338 2.154 20 0 AEADHO CC(C)=CCC[N@H+]1CC[C@@H](N)C[C@H]1C 306985105 487171505 /nfs/dbraw/zinc/17/15/05/487171505.db2.gz MXWFXHFYMDWHSP-VXGBXAGGSA-N 1 3 196.338 2.154 20 0 AEADHO CC(C)=CCC[N@@H+]1CC[C@@H](N)C[C@H]1C 306985105 487171507 /nfs/dbraw/zinc/17/15/07/487171507.db2.gz MXWFXHFYMDWHSP-VXGBXAGGSA-N 1 3 196.338 2.154 20 0 AEADHO CC(C)=CCCN1CC[C@H]([NH3+])C[C@@H]1C 306985104 487171569 /nfs/dbraw/zinc/17/15/69/487171569.db2.gz MXWFXHFYMDWHSP-RYUDHWBXSA-N 1 3 196.338 2.154 20 0 AEADHO CC(C)=CCC[N@H+]1CC[C@H](N)C[C@@H]1C 306985104 487171571 /nfs/dbraw/zinc/17/15/71/487171571.db2.gz MXWFXHFYMDWHSP-RYUDHWBXSA-N 1 3 196.338 2.154 20 0 AEADHO CC(C)=CCC[N@@H+]1CC[C@H](N)C[C@@H]1C 306985104 487171575 /nfs/dbraw/zinc/17/15/75/487171575.db2.gz MXWFXHFYMDWHSP-RYUDHWBXSA-N 1 3 196.338 2.154 20 0 AEADHO CC1(C)CC[C@H]1NCC1([NH3+])CCCC1 307548511 487182964 /nfs/dbraw/zinc/18/29/64/487182964.db2.gz OKZXLFATTGFKTH-SNVBAGLBSA-N 1 3 196.338 2.036 20 0 AEADHO CC1(C)CC[C@@H]1NCC1([NH3+])CCCC1 307548510 487183228 /nfs/dbraw/zinc/18/32/28/487183228.db2.gz OKZXLFATTGFKTH-JTQLQIEISA-N 1 3 196.338 2.036 20 0 AEADHO CC[C@H](C)[C@H](C)[N@H+](CCCN)C1CC1 319076979 487209048 /nfs/dbraw/zinc/20/90/48/487209048.db2.gz ZNJRMULRAKNIOI-QWRGUYRKSA-N 1 3 198.354 2.234 20 0 AEADHO CC[C@@H]1CC[C@@H](C)[N@H+](CCCNC)C1 308471488 487201497 /nfs/dbraw/zinc/20/14/97/487201497.db2.gz JNYINTROQSRFJU-VXGBXAGGSA-N 1 3 198.354 2.106 20 0 AEADHO CC[C@@H]1CC[C@@H](C)[N@@H+](CCCNC)C1 308471488 487201500 /nfs/dbraw/zinc/20/15/00/487201500.db2.gz JNYINTROQSRFJU-VXGBXAGGSA-N 1 3 198.354 2.106 20 0 AEADHO C[C@@H](CN)C[NH2+][C@H](C)C1CCCCC1 308563603 487203082 /nfs/dbraw/zinc/20/30/82/487203082.db2.gz GOIDCZFQRRDIRE-WDEREUQCSA-N 1 3 198.354 2.140 20 0 AEADHO C[C@H]([NH2+]C[C@H](C)CN)C1CCCCC1 308563601 487203130 /nfs/dbraw/zinc/20/31/30/487203130.db2.gz GOIDCZFQRRDIRE-MNOVXSKESA-N 1 3 198.354 2.140 20 0 AEADHO C[C@H](CN)C[NH2+][C@H](C)C1CCCCC1 308563600 487203207 /nfs/dbraw/zinc/20/32/07/487203207.db2.gz GOIDCZFQRRDIRE-GHMZBOCLSA-N 1 3 198.354 2.140 20 0 AEADHO C[C@@H](CN)C[NH2+][C@@H](C)C1CCCCC1 308563602 487203283 /nfs/dbraw/zinc/20/32/83/487203283.db2.gz GOIDCZFQRRDIRE-QWRGUYRKSA-N 1 3 198.354 2.140 20 0 AEADHO C[C@H](CN)C[NH2+]C1CCC(C)(C)CC1 308594972 487204478 /nfs/dbraw/zinc/20/44/78/487204478.db2.gz YAWMMPZLULDDQU-SNVBAGLBSA-N 1 3 198.354 2.140 20 0 AEADHO C[C@@H](CN)C[NH2+]C1CCC(C)(C)CC1 308594971 487204725 /nfs/dbraw/zinc/20/47/25/487204725.db2.gz YAWMMPZLULDDQU-JTQLQIEISA-N 1 3 198.354 2.140 20 0 AEADHO C[C@H](CN)C[NH2+][C@H]1CCCCC1(C)C 308596151 487204771 /nfs/dbraw/zinc/20/47/71/487204771.db2.gz YTBNASGXEBBSLE-MNOVXSKESA-N 1 3 198.354 2.140 20 0 AEADHO C[C@H](CN)C[NH2+][C@@H]1CCCCC1(C)C 308596149 487204850 /nfs/dbraw/zinc/20/48/50/487204850.db2.gz YTBNASGXEBBSLE-GHMZBOCLSA-N 1 3 198.354 2.140 20 0 AEADHO C[C@@H](CN)C[NH2+][C@H]1CCCCC1(C)C 308596153 487204909 /nfs/dbraw/zinc/20/49/09/487204909.db2.gz YTBNASGXEBBSLE-QWRGUYRKSA-N 1 3 198.354 2.140 20 0 AEADHO C[C@@H](CN)C[NH2+][C@@H]1CCCCC1(C)C 308596155 487204923 /nfs/dbraw/zinc/20/49/23/487204923.db2.gz YTBNASGXEBBSLE-WDEREUQCSA-N 1 3 198.354 2.140 20 0 AEADHO CCC1CCC([NH2+]C[C@H](C)CN)CC1 308621211 487205163 /nfs/dbraw/zinc/20/51/63/487205163.db2.gz VSBSJJIOMNNSQF-VOMCLLRMSA-N 1 3 198.354 2.140 20 0 AEADHO CCC1CCC([NH2+]C[C@@H](C)CN)CC1 308621210 487205533 /nfs/dbraw/zinc/20/55/33/487205533.db2.gz VSBSJJIOMNNSQF-UNXYVOJBSA-N 1 3 198.354 2.140 20 0 AEADHO CC[C@@H](C)[C@H](C)[N@H+](CCCN)C1CC1 319076978 487208979 /nfs/dbraw/zinc/20/89/79/487208979.db2.gz ZNJRMULRAKNIOI-MNOVXSKESA-N 1 3 198.354 2.234 20 0 AEADHO CC[C@@H](C)[C@H](C)[N@@H+](CCCN)C1CC1 319076978 487208980 /nfs/dbraw/zinc/20/89/80/487208980.db2.gz ZNJRMULRAKNIOI-MNOVXSKESA-N 1 3 198.354 2.234 20 0 AEADHO CC[C@H](C)[C@@H](C)[N@H+](CCCN)C1CC1 319076980 487208947 /nfs/dbraw/zinc/20/89/47/487208947.db2.gz ZNJRMULRAKNIOI-WDEREUQCSA-N 1 3 198.354 2.234 20 0 AEADHO CC[C@H](C)[C@@H](C)[N@@H+](CCCN)C1CC1 319076980 487208949 /nfs/dbraw/zinc/20/89/49/487208949.db2.gz ZNJRMULRAKNIOI-WDEREUQCSA-N 1 3 198.354 2.234 20 0 AEADHO CC[C@@H](C)[C@@H](C)[N@H+](CCCN)C1CC1 319076977 487209006 /nfs/dbraw/zinc/20/90/06/487209006.db2.gz ZNJRMULRAKNIOI-GHMZBOCLSA-N 1 3 198.354 2.234 20 0 AEADHO CC[C@@H](C)[C@@H](C)[N@@H+](CCCN)C1CC1 319076977 487209008 /nfs/dbraw/zinc/20/90/08/487209008.db2.gz ZNJRMULRAKNIOI-GHMZBOCLSA-N 1 3 198.354 2.234 20 0 AEADHO CC[C@H](C)[C@H](C)[N@@H+](CCCN)C1CC1 319076979 487209050 /nfs/dbraw/zinc/20/90/50/487209050.db2.gz ZNJRMULRAKNIOI-QWRGUYRKSA-N 1 3 198.354 2.234 20 0 AEADHO CC/C=C\CN[C@@H]1CC[N@H+](C)[C@H](C)C1 384750162 487253122 /nfs/dbraw/zinc/25/31/22/487253122.db2.gz NZTMHAUZBNCYPY-GKKDLHFNSA-N 1 3 196.338 2.025 20 0 AEADHO CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)CN)C1 379571399 487245210 /nfs/dbraw/zinc/24/52/10/487245210.db2.gz DYRWHEIOSGNKGG-IJLUTSLNSA-N 1 3 198.354 2.140 20 0 AEADHO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)CN)C1 379571401 487245227 /nfs/dbraw/zinc/24/52/27/487245227.db2.gz DYRWHEIOSGNKGG-QJPTWQEYSA-N 1 3 198.354 2.140 20 0 AEADHO CC[C@@H]1CCC[C@H]([NH2+]C[C@H](C)CN)C1 379571408 487245620 /nfs/dbraw/zinc/24/56/20/487245620.db2.gz DYRWHEIOSGNKGG-UTUOFQBUSA-N 1 3 198.354 2.140 20 0 AEADHO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)CN)C1 379571404 487245740 /nfs/dbraw/zinc/24/57/40/487245740.db2.gz DYRWHEIOSGNKGG-TUAOUCFPSA-N 1 3 198.354 2.140 20 0 AEADHO CCC[C@H](CC)[NH2+]CCCNC1CC1 382594530 487250427 /nfs/dbraw/zinc/25/04/27/487250427.db2.gz JJHFEMMNEFRMMM-NSHDSACASA-N 1 3 198.354 2.297 20 0 AEADHO CCC[C@@H](CC)[NH2+]CCCNC1CC1 382594527 487250577 /nfs/dbraw/zinc/25/05/77/487250577.db2.gz JJHFEMMNEFRMMM-LLVKDONJSA-N 1 3 198.354 2.297 20 0 AEADHO CC[NH2+]CCNC[C@@H]1CCC[C@@H](C)C1 383101801 487251178 /nfs/dbraw/zinc/25/11/78/487251178.db2.gz FOZVBNVMXODZER-VXGBXAGGSA-N 1 3 198.354 2.012 20 0 AEADHO CC[NH2+]CCNC[C@H]1CCC[C@@H](C)C1 383101798 487251267 /nfs/dbraw/zinc/25/12/67/487251267.db2.gz FOZVBNVMXODZER-NEPJUHHUSA-N 1 3 198.354 2.012 20 0 AEADHO CNCCC[NH2+]C[C@@H]1CCC[C@H](C)C1 383189826 487251330 /nfs/dbraw/zinc/25/13/30/487251330.db2.gz WOIPTVULEDMHBB-NWDGAFQWSA-N 1 3 198.354 2.012 20 0 AEADHO CC[NH2+]CCNC[C@H]1CCC[C@H](C)C1 383101800 487251410 /nfs/dbraw/zinc/25/14/10/487251410.db2.gz FOZVBNVMXODZER-RYUDHWBXSA-N 1 3 198.354 2.012 20 0 AEADHO CNCCC[NH2+]C[C@H]1CCC[C@@H](C)C1 383189825 487251468 /nfs/dbraw/zinc/25/14/68/487251468.db2.gz WOIPTVULEDMHBB-NEPJUHHUSA-N 1 3 198.354 2.012 20 0 AEADHO CNCCC[NH2+]C[C@@H]1CCC[C@@H](C)C1 383189828 487251516 /nfs/dbraw/zinc/25/15/16/487251516.db2.gz WOIPTVULEDMHBB-VXGBXAGGSA-N 1 3 198.354 2.012 20 0 AEADHO C[C@@H](CCN)[NH2+]C[C@@H]1CCC[C@@H](C)C1 383193434 487251553 /nfs/dbraw/zinc/25/15/53/487251553.db2.gz XEFOCCDVGIYYQT-GRYCIOLGSA-N 1 3 198.354 2.140 20 0 AEADHO C[C@@H]1CCC[C@@H](C[NH2+][C@H](C)CCN)C1 383193435 487251639 /nfs/dbraw/zinc/25/16/39/487251639.db2.gz XEFOCCDVGIYYQT-IJLUTSLNSA-N 1 3 198.354 2.140 20 0 AEADHO CNCCC[NH2+]C[C@H]1CCC[C@H](C)C1 383189827 487251649 /nfs/dbraw/zinc/25/16/49/487251649.db2.gz WOIPTVULEDMHBB-RYUDHWBXSA-N 1 3 198.354 2.012 20 0 AEADHO C[C@@H]1CCC[C@H](C[NH2+][C@H](C)CCN)C1 383193436 487251845 /nfs/dbraw/zinc/25/18/45/487251845.db2.gz XEFOCCDVGIYYQT-UTUOFQBUSA-N 1 3 198.354 2.140 20 0 AEADHO CC[NH2+]CCNC[C@@H]1CCC[C@H](C)C1 383101799 487251989 /nfs/dbraw/zinc/25/19/89/487251989.db2.gz FOZVBNVMXODZER-NWDGAFQWSA-N 1 3 198.354 2.012 20 0 AEADHO C[C@@H](CC(C)(C)C)[NH2+]C1CCNCC1 384582983 487252248 /nfs/dbraw/zinc/25/22/48/487252248.db2.gz XOMYAXKXXKYEQS-JTQLQIEISA-N 1 3 198.354 2.153 20 0 AEADHO C[C@@H](CCN)[NH2+]C[C@H]1CCC[C@@H](C)C1 383193437 487252813 /nfs/dbraw/zinc/25/28/13/487252813.db2.gz XEFOCCDVGIYYQT-WOPDTQHZSA-N 1 3 198.354 2.140 20 0 AEADHO C[C@H](CC(C)(C)C)[NH2+]C1CCNCC1 384582985 487252913 /nfs/dbraw/zinc/25/29/13/487252913.db2.gz XOMYAXKXXKYEQS-SNVBAGLBSA-N 1 3 198.354 2.153 20 0 AEADHO CC/C=C\CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 384750162 487253124 /nfs/dbraw/zinc/25/31/24/487253124.db2.gz NZTMHAUZBNCYPY-GKKDLHFNSA-N 1 3 196.338 2.025 20 0 AEADHO CC/C=C/CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 384750160 487253165 /nfs/dbraw/zinc/25/31/65/487253165.db2.gz NZTMHAUZBNCYPY-CYLBZQBVSA-N 1 3 196.338 2.025 20 0 AEADHO CC/C=C/CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 384750160 487253167 /nfs/dbraw/zinc/25/31/67/487253167.db2.gz NZTMHAUZBNCYPY-CYLBZQBVSA-N 1 3 196.338 2.025 20 0 AEADHO CC/C=C\CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 384750159 487253203 /nfs/dbraw/zinc/25/32/03/487253203.db2.gz NZTMHAUZBNCYPY-ABZJQCSKSA-N 1 3 196.338 2.025 20 0 AEADHO CC/C=C\CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 384750159 487253206 /nfs/dbraw/zinc/25/32/06/487253206.db2.gz NZTMHAUZBNCYPY-ABZJQCSKSA-N 1 3 196.338 2.025 20 0 AEADHO CC/C=C/CN[C@@H]1CC[N@H+](C)[C@H](C)C1 384750163 487253393 /nfs/dbraw/zinc/25/33/93/487253393.db2.gz NZTMHAUZBNCYPY-IEVRTODYSA-N 1 3 196.338 2.025 20 0 AEADHO CC/C=C/CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 384750163 487253394 /nfs/dbraw/zinc/25/33/94/487253394.db2.gz NZTMHAUZBNCYPY-IEVRTODYSA-N 1 3 196.338 2.025 20 0 AEADHO C[C@H](CN)C[NH2+]CC1CCCCCC1 389510042 487264038 /nfs/dbraw/zinc/26/40/38/487264038.db2.gz ZFOPQGBBHSGBKP-LLVKDONJSA-N 1 3 198.354 2.141 20 0 AEADHO C[C@@H](CN)C[NH2+]CC1CCCCCC1 389510043 487264303 /nfs/dbraw/zinc/26/43/03/487264303.db2.gz ZFOPQGBBHSGBKP-NSHDSACASA-N 1 3 198.354 2.141 20 0 AEADHO CCC(CC)(CC)C[NH2+][C@H]1CCNC1 391131068 487264831 /nfs/dbraw/zinc/26/48/31/487264831.db2.gz NJFZSMMVQWZMFU-NSHDSACASA-N 1 3 198.354 2.154 20 0 AEADHO CCC(CC)(CC)CNCC[NH2+]C 391318298 487264895 /nfs/dbraw/zinc/26/48/95/487264895.db2.gz DFODEZLMYPXPBH-UHFFFAOYSA-N 1 3 186.343 2.012 20 0 AEADHO C[NH2+]C[C@H](C)NC[C@H]1CCC[C@H](C)C1 394774767 487271289 /nfs/dbraw/zinc/27/12/89/487271289.db2.gz NWYWFHALZADVSK-SRVKXCTJSA-N 1 3 198.354 2.010 20 0 AEADHO C[NH2+]C[C@H](C)NC[C@@H]1CCC[C@@H](C)C1 394774764 487271313 /nfs/dbraw/zinc/27/13/13/487271313.db2.gz NWYWFHALZADVSK-GRYCIOLGSA-N 1 3 198.354 2.010 20 0 AEADHO C[NH2+]C[C@H](C)NC[C@H]1CCC[C@@H](C)C1 394774768 487271325 /nfs/dbraw/zinc/27/13/25/487271325.db2.gz NWYWFHALZADVSK-WOPDTQHZSA-N 1 3 198.354 2.010 20 0 AEADHO C[NH2+]C[C@H](C)NC[C@@H]1CCC[C@H](C)C1 394774766 487271366 /nfs/dbraw/zinc/27/13/66/487271366.db2.gz NWYWFHALZADVSK-SDDRHHMPSA-N 1 3 198.354 2.010 20 0 AEADHO CC(C)CCCN[C@@H]1CCC[NH2+][C@@H]1C 396695092 487274653 /nfs/dbraw/zinc/27/46/53/487274653.db2.gz MABSEYAZHOSBEE-VXGBXAGGSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)CCCN[C@H]1CCC[NH2+][C@H]1C 396695088 487274834 /nfs/dbraw/zinc/27/48/34/487274834.db2.gz MABSEYAZHOSBEE-RYUDHWBXSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)CCCN[C@@H]1CCC[NH2+][C@H]1C 396695086 487274879 /nfs/dbraw/zinc/27/48/79/487274879.db2.gz MABSEYAZHOSBEE-NWDGAFQWSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)CCCN[C@H]1CCC[NH2+][C@@H]1C 396695083 487275006 /nfs/dbraw/zinc/27/50/06/487275006.db2.gz MABSEYAZHOSBEE-NEPJUHHUSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)=CCC[NH2+][C@H]1CCC[C@@H](N)C1 397833538 487280461 /nfs/dbraw/zinc/28/04/61/487280461.db2.gz SFICDUQNEUUTNE-NEPJUHHUSA-N 1 3 196.338 2.202 20 0 AEADHO CC(C)=CCC[NH2+][C@@H]1CCC[C@H](N)C1 397833539 487280525 /nfs/dbraw/zinc/28/05/25/487280525.db2.gz SFICDUQNEUUTNE-NWDGAFQWSA-N 1 3 196.338 2.202 20 0 AEADHO CC(C)=CCC[NH2+][C@@H]1CCC[C@@H](N)C1 397833542 487280683 /nfs/dbraw/zinc/28/06/83/487280683.db2.gz SFICDUQNEUUTNE-VXGBXAGGSA-N 1 3 196.338 2.202 20 0 AEADHO CC(C)=CCC[NH2+][C@H]1CCC[C@H](N)C1 397833540 487280784 /nfs/dbraw/zinc/28/07/84/487280784.db2.gz SFICDUQNEUUTNE-RYUDHWBXSA-N 1 3 196.338 2.202 20 0 AEADHO CCCC[C@@H](CC)[NH2+]C[C@H]1CCCN1 666783913 487339335 /nfs/dbraw/zinc/33/93/35/487339335.db2.gz NSODLLVKSOGECF-VXGBXAGGSA-N 1 3 198.354 2.297 20 0 AEADHO CC[NH2+]CCN[C@H]1CCC[C@@H]1C(C)C 666782366 487339340 /nfs/dbraw/zinc/33/93/40/487339340.db2.gz ZYDWMCSMIIXXMS-NEPJUHHUSA-N 1 3 198.354 2.010 20 0 AEADHO CCCC[C@@H](CC)[NH2+]C[C@@H]1CCCN1 666783909 487339345 /nfs/dbraw/zinc/33/93/45/487339345.db2.gz NSODLLVKSOGECF-NEPJUHHUSA-N 1 3 198.354 2.297 20 0 AEADHO CC(C)C[C@H]1CCCC[N@@H+]1CCCN 666642842 487331702 /nfs/dbraw/zinc/33/17/02/487331702.db2.gz OYJOEWBLMAQMMA-GFCCVEGCSA-N 1 3 198.354 2.236 20 0 AEADHO CC(C)C[C@H]1CCCC[N@H+]1CCCN 666642842 487331705 /nfs/dbraw/zinc/33/17/05/487331705.db2.gz OYJOEWBLMAQMMA-GFCCVEGCSA-N 1 3 198.354 2.236 20 0 AEADHO CCC[C@H](C)[C@H]1CCC[N@@H+]1CCCN 666649726 487331795 /nfs/dbraw/zinc/33/17/95/487331795.db2.gz NIMUOFLZEWUCDC-NWDGAFQWSA-N 1 3 198.354 2.236 20 0 AEADHO CCC[C@H](C)[C@H]1CCC[N@H+]1CCCN 666649726 487331799 /nfs/dbraw/zinc/33/17/99/487331799.db2.gz NIMUOFLZEWUCDC-NWDGAFQWSA-N 1 3 198.354 2.236 20 0 AEADHO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CCCN 666642753 487331873 /nfs/dbraw/zinc/33/18/73/487331873.db2.gz JNIYFEOHFZBXHP-NEPJUHHUSA-N 1 3 198.354 2.236 20 0 AEADHO CC[C@@H](C)[C@@H]1CCCC[N@H+]1CCCN 666642753 487331874 /nfs/dbraw/zinc/33/18/74/487331874.db2.gz JNIYFEOHFZBXHP-NEPJUHHUSA-N 1 3 198.354 2.236 20 0 AEADHO CC(C)C[C@@H]1CCC[N@H+](CCCN)C1 666646067 487331909 /nfs/dbraw/zinc/33/19/09/487331909.db2.gz YRYYDRKTDQXAQZ-LBPRGKRZSA-N 1 3 198.354 2.093 20 0 AEADHO CC(C)C[C@@H]1CCC[N@@H+](CCCN)C1 666646067 487331913 /nfs/dbraw/zinc/33/19/13/487331913.db2.gz YRYYDRKTDQXAQZ-LBPRGKRZSA-N 1 3 198.354 2.093 20 0 AEADHO CC(C)C[C@@H]1CCCN(CCC[NH3+])C1 666646067 487331915 /nfs/dbraw/zinc/33/19/15/487331915.db2.gz YRYYDRKTDQXAQZ-LBPRGKRZSA-N 1 3 198.354 2.093 20 0 AEADHO CCCCC[C@H]1CCC[N@@H+]1CCCN 666650709 487331975 /nfs/dbraw/zinc/33/19/75/487331975.db2.gz OWRHYUBPZSTIGJ-LBPRGKRZSA-N 1 3 198.354 2.380 20 0 AEADHO CCCCC[C@H]1CCC[N@H+]1CCCN 666650709 487331980 /nfs/dbraw/zinc/33/19/80/487331980.db2.gz OWRHYUBPZSTIGJ-LBPRGKRZSA-N 1 3 198.354 2.380 20 0 AEADHO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CCCN 666649730 487332004 /nfs/dbraw/zinc/33/20/04/487332004.db2.gz NIMUOFLZEWUCDC-VXGBXAGGSA-N 1 3 198.354 2.236 20 0 AEADHO CCC[C@@H](C)[C@H]1CCC[N@H+]1CCCN 666649730 487332007 /nfs/dbraw/zinc/33/20/07/487332007.db2.gz NIMUOFLZEWUCDC-VXGBXAGGSA-N 1 3 198.354 2.236 20 0 AEADHO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CCCN 666645690 487332038 /nfs/dbraw/zinc/33/20/38/487332038.db2.gz UCYQNFLWVZWLBV-NWDGAFQWSA-N 1 3 198.354 2.236 20 0 AEADHO CCC[C@@H]1[C@@H](C)CCC[N@H+]1CCCN 666645690 487332041 /nfs/dbraw/zinc/33/20/41/487332041.db2.gz UCYQNFLWVZWLBV-NWDGAFQWSA-N 1 3 198.354 2.236 20 0 AEADHO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CCCN 666645694 487332071 /nfs/dbraw/zinc/33/20/71/487332071.db2.gz UCYQNFLWVZWLBV-VXGBXAGGSA-N 1 3 198.354 2.236 20 0 AEADHO CCC[C@@H]1[C@H](C)CCC[N@H+]1CCCN 666645694 487332073 /nfs/dbraw/zinc/33/20/73/487332073.db2.gz UCYQNFLWVZWLBV-VXGBXAGGSA-N 1 3 198.354 2.236 20 0 AEADHO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CCCN 666649725 487332135 /nfs/dbraw/zinc/33/21/35/487332135.db2.gz NIMUOFLZEWUCDC-NEPJUHHUSA-N 1 3 198.354 2.236 20 0 AEADHO CCC[C@@H](C)[C@@H]1CCC[N@H+]1CCCN 666649725 487332139 /nfs/dbraw/zinc/33/21/39/487332139.db2.gz NIMUOFLZEWUCDC-NEPJUHHUSA-N 1 3 198.354 2.236 20 0 AEADHO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CCCN 666645692 487332196 /nfs/dbraw/zinc/33/21/96/487332196.db2.gz UCYQNFLWVZWLBV-RYUDHWBXSA-N 1 3 198.354 2.236 20 0 AEADHO CCC[C@H]1[C@@H](C)CCC[N@H+]1CCCN 666645692 487332199 /nfs/dbraw/zinc/33/21/99/487332199.db2.gz UCYQNFLWVZWLBV-RYUDHWBXSA-N 1 3 198.354 2.236 20 0 AEADHO CC(C)CC[C@H]1CCC[N@@H+]1CCCN 666649625 487332232 /nfs/dbraw/zinc/33/22/32/487332232.db2.gz HDZQSFUTFDDKMF-GFCCVEGCSA-N 1 3 198.354 2.236 20 0 AEADHO CC(C)CC[C@H]1CCC[N@H+]1CCCN 666649625 487332235 /nfs/dbraw/zinc/33/22/35/487332235.db2.gz HDZQSFUTFDDKMF-GFCCVEGCSA-N 1 3 198.354 2.236 20 0 AEADHO CCC[C@]1(C)CCC[N@H+](CCCN)C1 666643014 487332262 /nfs/dbraw/zinc/33/22/62/487332262.db2.gz RIGQPQOYDOQZDL-GFCCVEGCSA-N 1 3 198.354 2.237 20 0 AEADHO CCC[C@]1(C)CCC[N@@H+](CCCN)C1 666643014 487332263 /nfs/dbraw/zinc/33/22/63/487332263.db2.gz RIGQPQOYDOQZDL-GFCCVEGCSA-N 1 3 198.354 2.237 20 0 AEADHO CCC[C@]1(C)CCCN(CCC[NH3+])C1 666643014 487332265 /nfs/dbraw/zinc/33/22/65/487332265.db2.gz RIGQPQOYDOQZDL-GFCCVEGCSA-N 1 3 198.354 2.237 20 0 AEADHO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CCCN 666642755 487332288 /nfs/dbraw/zinc/33/22/88/487332288.db2.gz JNIYFEOHFZBXHP-RYUDHWBXSA-N 1 3 198.354 2.236 20 0 AEADHO CC[C@H](C)[C@@H]1CCCC[N@H+]1CCCN 666642755 487332289 /nfs/dbraw/zinc/33/22/89/487332289.db2.gz JNIYFEOHFZBXHP-RYUDHWBXSA-N 1 3 198.354 2.236 20 0 AEADHO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CCCN 666649729 487332298 /nfs/dbraw/zinc/33/22/98/487332298.db2.gz NIMUOFLZEWUCDC-RYUDHWBXSA-N 1 3 198.354 2.236 20 0 AEADHO CCC[C@H](C)[C@@H]1CCC[N@H+]1CCCN 666649729 487332299 /nfs/dbraw/zinc/33/22/99/487332299.db2.gz NIMUOFLZEWUCDC-RYUDHWBXSA-N 1 3 198.354 2.236 20 0 AEADHO CC1(C)C[NH+](CCCN)CC(C)(C)C1 666696058 487332324 /nfs/dbraw/zinc/33/23/24/487332324.db2.gz NYCDLCVSOOEQHK-UHFFFAOYSA-N 1 3 198.354 2.093 20 0 AEADHO CC1(C)CN(CCC[NH3+])CC(C)(C)C1 666696058 487332325 /nfs/dbraw/zinc/33/23/25/487332325.db2.gz NYCDLCVSOOEQHK-UHFFFAOYSA-N 1 3 198.354 2.093 20 0 AEADHO CC(C)CC[C@@H]1CCC[N@@H+]1CCCN 666649626 487332332 /nfs/dbraw/zinc/33/23/32/487332332.db2.gz HDZQSFUTFDDKMF-LBPRGKRZSA-N 1 3 198.354 2.236 20 0 AEADHO CC(C)CC[C@@H]1CCC[N@H+]1CCCN 666649626 487332333 /nfs/dbraw/zinc/33/23/33/487332333.db2.gz HDZQSFUTFDDKMF-LBPRGKRZSA-N 1 3 198.354 2.236 20 0 AEADHO CCCCC[C@@H]1CCC[N@@H+]1CCCN 666650708 487332433 /nfs/dbraw/zinc/33/24/33/487332433.db2.gz OWRHYUBPZSTIGJ-GFCCVEGCSA-N 1 3 198.354 2.380 20 0 AEADHO CCCCC[C@@H]1CCC[N@H+]1CCCN 666650708 487332435 /nfs/dbraw/zinc/33/24/35/487332435.db2.gz OWRHYUBPZSTIGJ-GFCCVEGCSA-N 1 3 198.354 2.380 20 0 AEADHO CC(C)C[C@@H]1CCCC[N@@H+]1CCCN 666642843 487332477 /nfs/dbraw/zinc/33/24/77/487332477.db2.gz OYJOEWBLMAQMMA-LBPRGKRZSA-N 1 3 198.354 2.236 20 0 AEADHO CC(C)C[C@@H]1CCCC[N@H+]1CCCN 666642843 487332479 /nfs/dbraw/zinc/33/24/79/487332479.db2.gz OYJOEWBLMAQMMA-LBPRGKRZSA-N 1 3 198.354 2.236 20 0 AEADHO CCC[C@@]1(C)CCC[N@H+](CCCN)C1 666643015 487332526 /nfs/dbraw/zinc/33/25/26/487332526.db2.gz RIGQPQOYDOQZDL-LBPRGKRZSA-N 1 3 198.354 2.237 20 0 AEADHO CCC[C@@]1(C)CCC[N@@H+](CCCN)C1 666643015 487332529 /nfs/dbraw/zinc/33/25/29/487332529.db2.gz RIGQPQOYDOQZDL-LBPRGKRZSA-N 1 3 198.354 2.237 20 0 AEADHO CCC[C@@]1(C)CCCN(CCC[NH3+])C1 666643015 487332531 /nfs/dbraw/zinc/33/25/31/487332531.db2.gz RIGQPQOYDOQZDL-LBPRGKRZSA-N 1 3 198.354 2.237 20 0 AEADHO CC[C@H](C)[C@H]1CCCC[N@@H+]1CCCN 666642754 487332591 /nfs/dbraw/zinc/33/25/91/487332591.db2.gz JNIYFEOHFZBXHP-NWDGAFQWSA-N 1 3 198.354 2.236 20 0 AEADHO CC[C@H](C)[C@H]1CCCC[N@H+]1CCCN 666642754 487332595 /nfs/dbraw/zinc/33/25/95/487332595.db2.gz JNIYFEOHFZBXHP-NWDGAFQWSA-N 1 3 198.354 2.236 20 0 AEADHO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CCCN 666642756 487332617 /nfs/dbraw/zinc/33/26/17/487332617.db2.gz JNIYFEOHFZBXHP-VXGBXAGGSA-N 1 3 198.354 2.236 20 0 AEADHO CC[C@@H](C)[C@H]1CCCC[N@H+]1CCCN 666642756 487332619 /nfs/dbraw/zinc/33/26/19/487332619.db2.gz JNIYFEOHFZBXHP-VXGBXAGGSA-N 1 3 198.354 2.236 20 0 AEADHO CCC[C@H]1[C@H](C)CCC[N@@H+]1CCCN 666645687 487332644 /nfs/dbraw/zinc/33/26/44/487332644.db2.gz UCYQNFLWVZWLBV-NEPJUHHUSA-N 1 3 198.354 2.236 20 0 AEADHO CCC[C@H]1[C@H](C)CCC[N@H+]1CCCN 666645687 487332648 /nfs/dbraw/zinc/33/26/48/487332648.db2.gz UCYQNFLWVZWLBV-NEPJUHHUSA-N 1 3 198.354 2.236 20 0 AEADHO CC(C)C[C@H]1CCC[N@H+](CCCN)C1 666646066 487332660 /nfs/dbraw/zinc/33/26/60/487332660.db2.gz YRYYDRKTDQXAQZ-GFCCVEGCSA-N 1 3 198.354 2.093 20 0 AEADHO CC(C)C[C@H]1CCC[N@@H+](CCCN)C1 666646066 487332665 /nfs/dbraw/zinc/33/26/65/487332665.db2.gz YRYYDRKTDQXAQZ-GFCCVEGCSA-N 1 3 198.354 2.093 20 0 AEADHO CC(C)C[C@H]1CCCN(CCC[NH3+])C1 666646066 487332669 /nfs/dbraw/zinc/33/26/69/487332669.db2.gz YRYYDRKTDQXAQZ-GFCCVEGCSA-N 1 3 198.354 2.093 20 0 AEADHO CC(C)C[C@@H](C)C[NH2+]C1CCNCC1 666736524 487333014 /nfs/dbraw/zinc/33/30/14/487333014.db2.gz DBJGOIZJPWQOEX-LLVKDONJSA-N 1 3 198.354 2.010 20 0 AEADHO CC(C)C1(C)CC[NH+](CCCN)CC1 666707382 487333069 /nfs/dbraw/zinc/33/30/69/487333069.db2.gz IDYWMTITFMALQT-UHFFFAOYSA-N 1 3 198.354 2.093 20 0 AEADHO CC(C)C1(C)CCN(CCC[NH3+])CC1 666707382 487333071 /nfs/dbraw/zinc/33/30/71/487333071.db2.gz IDYWMTITFMALQT-UHFFFAOYSA-N 1 3 198.354 2.093 20 0 AEADHO CC(C)(C)[C@H]1CCC[N@H+](CCCN)C1 666715309 487333161 /nfs/dbraw/zinc/33/31/61/487333161.db2.gz PVWZGFFVLCETLZ-NSHDSACASA-N 1 3 198.354 2.093 20 0 AEADHO CC(C)(C)[C@H]1CCC[N@@H+](CCCN)C1 666715309 487333164 /nfs/dbraw/zinc/33/31/64/487333164.db2.gz PVWZGFFVLCETLZ-NSHDSACASA-N 1 3 198.354 2.093 20 0 AEADHO CCCC[C@@H](CC)[NH2+]C1CCNCC1 666736533 487333341 /nfs/dbraw/zinc/33/33/41/487333341.db2.gz JQOWMYRYUSPXDH-LLVKDONJSA-N 1 3 198.354 2.297 20 0 AEADHO CC(C)C[C@H](C)C[NH2+]C1CCNCC1 666736525 487333390 /nfs/dbraw/zinc/33/33/90/487333390.db2.gz DBJGOIZJPWQOEX-NSHDSACASA-N 1 3 198.354 2.010 20 0 AEADHO CC(C)(C)[C@@H]1CCC[N@H+](CCCN)C1 666715308 487333520 /nfs/dbraw/zinc/33/35/20/487333520.db2.gz PVWZGFFVLCETLZ-LLVKDONJSA-N 1 3 198.354 2.093 20 0 AEADHO CC(C)(C)[C@@H]1CCC[N@@H+](CCCN)C1 666715308 487333523 /nfs/dbraw/zinc/33/35/23/487333523.db2.gz PVWZGFFVLCETLZ-LLVKDONJSA-N 1 3 198.354 2.093 20 0 AEADHO CCCC[C@H](CC)[NH2+]C1CCNCC1 666736534 487333630 /nfs/dbraw/zinc/33/36/30/487333630.db2.gz JQOWMYRYUSPXDH-NSHDSACASA-N 1 3 198.354 2.297 20 0 AEADHO CC[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCCNC1 666774671 487335651 /nfs/dbraw/zinc/33/56/51/487335651.db2.gz OUZQJPBIRXJMLI-SDDRHHMPSA-N 1 3 198.354 2.010 20 0 AEADHO CC[C@H](C)C[NH2+][C@H](C)[C@H]1CCCNC1 666774673 487335696 /nfs/dbraw/zinc/33/56/96/487335696.db2.gz OUZQJPBIRXJMLI-TUAOUCFPSA-N 1 3 198.354 2.010 20 0 AEADHO CC[C@H](C)C[NH2+][C@@H](C)[C@H]1CCCNC1 666774672 487335851 /nfs/dbraw/zinc/33/58/51/487335851.db2.gz OUZQJPBIRXJMLI-SRVKXCTJSA-N 1 3 198.354 2.010 20 0 AEADHO CC[C@H](C)C[NH2+][C@H](C)[C@@H]1CCCNC1 666774670 487335956 /nfs/dbraw/zinc/33/59/56/487335956.db2.gz OUZQJPBIRXJMLI-QJPTWQEYSA-N 1 3 198.354 2.010 20 0 AEADHO CCCC[C@H]1CCC[C@H]1NCC[NH2+]C 666778812 487336717 /nfs/dbraw/zinc/33/67/17/487336717.db2.gz FLBKQUHLCUBOEJ-NWDGAFQWSA-N 1 3 198.354 2.154 20 0 AEADHO CC[C@H]1CCC[C@H](CNCC[NH2+]C)C1 666778336 487336791 /nfs/dbraw/zinc/33/67/91/487336791.db2.gz MELDNMYOHFKQRG-RYUDHWBXSA-N 1 3 198.354 2.012 20 0 AEADHO C[NH2+]CCN[C@H]1CCC(C)(C)C[C@H]1C 666778886 487336836 /nfs/dbraw/zinc/33/68/36/487336836.db2.gz PHPUXAIXPPVMST-MNOVXSKESA-N 1 3 198.354 2.010 20 0 AEADHO CC[C@@H]1CCC[C@@H](CNCC[NH2+]C)C1 666778337 487336881 /nfs/dbraw/zinc/33/68/81/487336881.db2.gz MELDNMYOHFKQRG-VXGBXAGGSA-N 1 3 198.354 2.012 20 0 AEADHO C[NH2+]CCNC[C@@H]1CCCC(C)(C)C1 666778328 487337009 /nfs/dbraw/zinc/33/70/09/487337009.db2.gz LHHMEICRJUKOQF-LLVKDONJSA-N 1 3 198.354 2.012 20 0 AEADHO C[NH2+]CCN[C@H]1CCC(C)(C)C[C@@H]1C 666778887 487337038 /nfs/dbraw/zinc/33/70/38/487337038.db2.gz PHPUXAIXPPVMST-QWRGUYRKSA-N 1 3 198.354 2.010 20 0 AEADHO CCC1(C)CCC(NCC[NH2+]C)CC1 666778800 487337107 /nfs/dbraw/zinc/33/71/07/487337107.db2.gz CHNNQOOSIXXSOY-UHFFFAOYSA-N 1 3 198.354 2.154 20 0 AEADHO C[NH2+]CCNC[C@H]1CCCC(C)(C)C1 666778329 487337093 /nfs/dbraw/zinc/33/70/93/487337093.db2.gz LHHMEICRJUKOQF-NSHDSACASA-N 1 3 198.354 2.012 20 0 AEADHO CC[C@@H]1CCC[C@H](CNCC[NH2+]C)C1 666778334 487337115 /nfs/dbraw/zinc/33/71/15/487337115.db2.gz MELDNMYOHFKQRG-NEPJUHHUSA-N 1 3 198.354 2.012 20 0 AEADHO CCCC[C@@H]1CCC[C@H]1NCC[NH2+]C 666778814 487337124 /nfs/dbraw/zinc/33/71/24/487337124.db2.gz FLBKQUHLCUBOEJ-VXGBXAGGSA-N 1 3 198.354 2.154 20 0 AEADHO CCCC1CCC(NCC[NH2+]C)CC1 666778860 487337155 /nfs/dbraw/zinc/33/71/55/487337155.db2.gz MISLUAUNHLWJHD-UHFFFAOYSA-N 1 3 198.354 2.154 20 0 AEADHO C[NH2+]CCN[C@@H]1CCC(C)(C)C[C@H]1C 666778885 487337278 /nfs/dbraw/zinc/33/72/78/487337278.db2.gz PHPUXAIXPPVMST-GHMZBOCLSA-N 1 3 198.354 2.010 20 0 AEADHO CCCC[C@H]1CCC[C@@H]1NCC[NH2+]C 666778813 487337288 /nfs/dbraw/zinc/33/72/88/487337288.db2.gz FLBKQUHLCUBOEJ-RYUDHWBXSA-N 1 3 198.354 2.154 20 0 AEADHO C[NH2+]CCN[C@@H]1CCC(C)(C)C[C@@H]1C 666778888 487337328 /nfs/dbraw/zinc/33/73/28/487337328.db2.gz PHPUXAIXPPVMST-WDEREUQCSA-N 1 3 198.354 2.010 20 0 AEADHO CC[C@H]1CCC[C@@H](CNCC[NH2+]C)C1 666778335 487337383 /nfs/dbraw/zinc/33/73/83/487337383.db2.gz MELDNMYOHFKQRG-NWDGAFQWSA-N 1 3 198.354 2.012 20 0 AEADHO CCCC[C@@H]1CCC[C@@H]1NCC[NH2+]C 666778811 487337411 /nfs/dbraw/zinc/33/74/11/487337411.db2.gz FLBKQUHLCUBOEJ-NEPJUHHUSA-N 1 3 198.354 2.154 20 0 AEADHO C[NH2+]CCNCC1CCC(C)(C)CC1 666778305 487337432 /nfs/dbraw/zinc/33/74/32/487337432.db2.gz DQDITPSJSGHJKX-UHFFFAOYSA-N 1 3 198.354 2.012 20 0 AEADHO CC[NH2+]CCNC1CCC(CC)CC1 666781538 487337651 /nfs/dbraw/zinc/33/76/51/487337651.db2.gz LTYHKVOEIWSQBB-UHFFFAOYSA-N 1 3 198.354 2.154 20 0 AEADHO CC[NH2+]CCN[C@@H]1CCC[C@@H](CC)C1 666781549 487337691 /nfs/dbraw/zinc/33/76/91/487337691.db2.gz QSUYSZJWINSFQS-VXGBXAGGSA-N 1 3 198.354 2.154 20 0 AEADHO CC[NH2+]CCN[C@@H]1CC[C@@H](C)[C@@H](C)C1 666782291 487337700 /nfs/dbraw/zinc/33/77/00/487337700.db2.gz CGGBSYUHODTXKC-GRYCIOLGSA-N 1 3 198.354 2.010 20 0 AEADHO CC[NH2+]CCN[C@@H]1CC[C@H](C)[C@@H](C)C1 666782294 487337709 /nfs/dbraw/zinc/33/77/09/487337709.db2.gz CGGBSYUHODTXKC-SDDRHHMPSA-N 1 3 198.354 2.010 20 0 AEADHO CCCC[C@@H](CC)NCC[NH2+]CC 666782323 487337744 /nfs/dbraw/zinc/33/77/44/487337744.db2.gz LGIUATMERFDRPP-LLVKDONJSA-N 1 3 186.343 2.154 20 0 AEADHO CC[C@@H](C[C@H](C)CC)NCC[NH2+]C 666779040 487337786 /nfs/dbraw/zinc/33/77/86/487337786.db2.gz ZUHDETJOPRPWEJ-MNOVXSKESA-N 1 3 186.343 2.010 20 0 AEADHO CC[NH2+]CCN[C@H]1CCC[C@@H](CC)C1 666781546 487337795 /nfs/dbraw/zinc/33/77/95/487337795.db2.gz QSUYSZJWINSFQS-NEPJUHHUSA-N 1 3 198.354 2.154 20 0 AEADHO CC[NH2+]CCN[C@@H]1CC[C@H](C)C[C@@H]1C 666782348 487337813 /nfs/dbraw/zinc/33/78/13/487337813.db2.gz UIMMXZWZKUEPBQ-SDDRHHMPSA-N 1 3 198.354 2.010 20 0 AEADHO CC[C@H](C)C[C@@H](CC)NCC[NH2+]C 666779042 487337827 /nfs/dbraw/zinc/33/78/27/487337827.db2.gz ZUHDETJOPRPWEJ-WDEREUQCSA-N 1 3 186.343 2.010 20 0 AEADHO CC[NH2+]CCN[C@@H]1CCC[C@H](C)[C@@H]1C 666782310 487337844 /nfs/dbraw/zinc/33/78/44/487337844.db2.gz JHTXXLKTCUZEDD-SDDRHHMPSA-N 1 3 198.354 2.010 20 0 AEADHO CCCC[C@H](CC)NCC[NH2+]CC 666782324 487337851 /nfs/dbraw/zinc/33/78/51/487337851.db2.gz LGIUATMERFDRPP-NSHDSACASA-N 1 3 186.343 2.154 20 0 AEADHO CC[NH2+]CCNC[C@H]1CCCC[C@H]1C 666781554 487337869 /nfs/dbraw/zinc/33/78/69/487337869.db2.gz RAGRNTFXBRIVAL-VXGBXAGGSA-N 1 3 198.354 2.012 20 0 AEADHO CC[NH2+]CCNC1C[C@H](C)C[C@@H](C)C1 666781479 487337894 /nfs/dbraw/zinc/33/78/94/487337894.db2.gz FEQFXPBEFLQRPZ-GHMZBOCLSA-N 1 3 198.354 2.010 20 0 AEADHO CC[NH2+]CCN[C@@H]1CC[C@@H](C)C[C@@H]1C 666782345 487337925 /nfs/dbraw/zinc/33/79/25/487337925.db2.gz UIMMXZWZKUEPBQ-GRYCIOLGSA-N 1 3 198.354 2.010 20 0 AEADHO CC[NH2+]CCN[C@@H]1C[C@@H](C)C[C@@H](C)C1 666781478 487337954 /nfs/dbraw/zinc/33/79/54/487337954.db2.gz FEQFXPBEFLQRPZ-GDNZZTSVSA-N 1 3 198.354 2.010 20 0 AEADHO CC[NH2+]CCN[C@@H]1CC[C@@H](C)C[C@H]1C 666782346 487338024 /nfs/dbraw/zinc/33/80/24/487338024.db2.gz UIMMXZWZKUEPBQ-IJLUTSLNSA-N 1 3 198.354 2.010 20 0 AEADHO CC[NH2+]CCN[C@@H]1CCC[C@@H](C)[C@@H]1C 666782307 487338030 /nfs/dbraw/zinc/33/80/30/487338030.db2.gz JHTXXLKTCUZEDD-GRYCIOLGSA-N 1 3 198.354 2.010 20 0 AEADHO CC[NH2+]CCN[C@@H]1CCC[C@H](CC)C1 666781547 487338038 /nfs/dbraw/zinc/33/80/38/487338038.db2.gz QSUYSZJWINSFQS-NWDGAFQWSA-N 1 3 198.354 2.154 20 0 AEADHO CC[NH2+]CCN[C@@H]1CC[C@@H](C)[C@H](C)C1 666782292 487338087 /nfs/dbraw/zinc/33/80/87/487338087.db2.gz CGGBSYUHODTXKC-IJLUTSLNSA-N 1 3 198.354 2.010 20 0 AEADHO CC[NH2+]CCNC1CCC(C)(C)CC1 666781550 487338105 /nfs/dbraw/zinc/33/81/05/487338105.db2.gz QZZFKQLCOZWOPE-UHFFFAOYSA-N 1 3 198.354 2.154 20 0 AEADHO CC[NH2+]CCN[C@H]1CCC[C@H](CC)C1 666781548 487338114 /nfs/dbraw/zinc/33/81/14/487338114.db2.gz QSUYSZJWINSFQS-RYUDHWBXSA-N 1 3 198.354 2.154 20 0 AEADHO CC[NH2+]CCNC[C@H]1CCCC[C@@H]1C 666781552 487338127 /nfs/dbraw/zinc/33/81/27/487338127.db2.gz RAGRNTFXBRIVAL-NWDGAFQWSA-N 1 3 198.354 2.012 20 0 AEADHO CC[C@@H](C)C[C@@H](CC)NCC[NH2+]C 666779039 487338162 /nfs/dbraw/zinc/33/81/62/487338162.db2.gz ZUHDETJOPRPWEJ-GHMZBOCLSA-N 1 3 186.343 2.010 20 0 AEADHO CC[NH2+]CCN[C@@H]1CCC[C@H](C)[C@H]1C 666782309 487338210 /nfs/dbraw/zinc/33/82/10/487338210.db2.gz JHTXXLKTCUZEDD-QJPTWQEYSA-N 1 3 198.354 2.010 20 0 AEADHO CC[NH2+]CCN[C@@H]1CC[C@H](C)[C@H](C)C1 666782293 487338222 /nfs/dbraw/zinc/33/82/22/487338222.db2.gz CGGBSYUHODTXKC-QJPTWQEYSA-N 1 3 198.354 2.010 20 0 AEADHO C[NH2+]CCNC1CCC(C(C)C)CC1 666779026 487338254 /nfs/dbraw/zinc/33/82/54/487338254.db2.gz YXNGGMSNEZKGCF-UHFFFAOYSA-N 1 3 198.354 2.010 20 0 AEADHO CCCC(CCC)NCC[NH2+]CC 666781515 487338292 /nfs/dbraw/zinc/33/82/92/487338292.db2.gz JXCYUDUGPJNEAY-UHFFFAOYSA-N 1 3 186.343 2.154 20 0 AEADHO CC[NH2+]CCN[C@@H](C)CC1CCCC1 666782342 487338373 /nfs/dbraw/zinc/33/83/73/487338373.db2.gz ROPNGKDMIQVJOM-NSHDSACASA-N 1 3 198.354 2.154 20 0 AEADHO CC[NH2+]CCN[C@@H]1CC[C@H](C)C[C@H]1C 666782347 487338383 /nfs/dbraw/zinc/33/83/83/487338383.db2.gz UIMMXZWZKUEPBQ-QJPTWQEYSA-N 1 3 198.354 2.010 20 0 AEADHO CC[NH2+]CCNC1C[C@@H](C)C[C@H](C)C1 666781480 487338403 /nfs/dbraw/zinc/33/84/03/487338403.db2.gz FEQFXPBEFLQRPZ-QWRGUYRKSA-N 1 3 198.354 2.010 20 0 AEADHO CC[NH2+]CCN[C@@H]1CCCCC1(C)C 666781476 487338426 /nfs/dbraw/zinc/33/84/26/487338426.db2.gz DTNHIALHVOSBIJ-LLVKDONJSA-N 1 3 198.354 2.154 20 0 AEADHO CC[NH2+]CCNC[C@@H]1CCCC[C@@H]1C 666781553 487338438 /nfs/dbraw/zinc/33/84/38/487338438.db2.gz RAGRNTFXBRIVAL-RYUDHWBXSA-N 1 3 198.354 2.012 20 0 AEADHO CC[NH2+]CCN[C@H]1CCCCC1(C)C 666781477 487338322 /nfs/dbraw/zinc/33/83/22/487338322.db2.gz DTNHIALHVOSBIJ-NSHDSACASA-N 1 3 198.354 2.154 20 0 AEADHO CC[C@H](C)C[C@H](CC)NCC[NH2+]C 666779041 487338331 /nfs/dbraw/zinc/33/83/31/487338331.db2.gz ZUHDETJOPRPWEJ-QWRGUYRKSA-N 1 3 186.343 2.010 20 0 AEADHO CC[NH2+]CCN[C@H](C)CC1CCCC1 666782341 487338481 /nfs/dbraw/zinc/33/84/81/487338481.db2.gz ROPNGKDMIQVJOM-LLVKDONJSA-N 1 3 198.354 2.154 20 0 AEADHO CC[NH2+]CCN[C@@H]1CCC[C@@H](C)[C@H]1C 666782308 487338453 /nfs/dbraw/zinc/33/84/53/487338453.db2.gz JHTXXLKTCUZEDD-IJLUTSLNSA-N 1 3 198.354 2.010 20 0 AEADHO CC[NH2+]CCNC[C@@H]1CCCC[C@H]1C 666781551 487338463 /nfs/dbraw/zinc/33/84/63/487338463.db2.gz RAGRNTFXBRIVAL-NEPJUHHUSA-N 1 3 198.354 2.012 20 0 AEADHO CC[NH2+]CCN[C@H](C)C1CCCCC1 666782364 487338712 /nfs/dbraw/zinc/33/87/12/487338712.db2.gz ZVYYWOOYAINLFS-LLVKDONJSA-N 1 3 198.354 2.154 20 0 AEADHO CC(C)C[C@H](C)C[NH2+]C[C@H]1CCCN1 666783915 487338740 /nfs/dbraw/zinc/33/87/40/487338740.db2.gz OIAARZAGHCDZCP-NWDGAFQWSA-N 1 3 198.354 2.010 20 0 AEADHO CC[NH2+]CCN[C@@H]1CCC[C@@H]1C(C)C 666782369 487338754 /nfs/dbraw/zinc/33/87/54/487338754.db2.gz ZYDWMCSMIIXXMS-VXGBXAGGSA-N 1 3 198.354 2.010 20 0 AEADHO CCCC(CCC)[NH2+]C[C@H]1CCCN1 666783306 487338768 /nfs/dbraw/zinc/33/87/68/487338768.db2.gz YXIDJRYOHKCPOY-GFCCVEGCSA-N 1 3 198.354 2.297 20 0 AEADHO CC[C@@H]1CCC[C@H]([NH2+]CCCNC)C1 666806945 487338779 /nfs/dbraw/zinc/33/87/79/487338779.db2.gz BQPOOZZEJPHBNP-NEPJUHHUSA-N 1 3 198.354 2.154 20 0 AEADHO CCCC[C@H](CC)[NH2+]C[C@H]1CCCN1 666783910 487338793 /nfs/dbraw/zinc/33/87/93/487338793.db2.gz NSODLLVKSOGECF-NWDGAFQWSA-N 1 3 198.354 2.297 20 0 AEADHO CCCC(CCC)[NH2+]C[C@@H]1CCCN1 666783307 487338939 /nfs/dbraw/zinc/33/89/39/487338939.db2.gz YXIDJRYOHKCPOY-LBPRGKRZSA-N 1 3 198.354 2.297 20 0 AEADHO CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCCN1 666783917 487338955 /nfs/dbraw/zinc/33/89/55/487338955.db2.gz OIAARZAGHCDZCP-VXGBXAGGSA-N 1 3 198.354 2.010 20 0 AEADHO CC[C@H]1CCC[C@@H]([NH2+]CCCNC)C1 666806946 487339318 /nfs/dbraw/zinc/33/93/18/487339318.db2.gz BQPOOZZEJPHBNP-NWDGAFQWSA-N 1 3 198.354 2.154 20 0 AEADHO CCCC[C@H](CC)[NH2+]C[C@@H]1CCCN1 666783911 487339045 /nfs/dbraw/zinc/33/90/45/487339045.db2.gz NSODLLVKSOGECF-RYUDHWBXSA-N 1 3 198.354 2.297 20 0 AEADHO CC[C@H]1CCC[C@H]([NH2+]CCCNC)C1 666806947 487339320 /nfs/dbraw/zinc/33/93/20/487339320.db2.gz BQPOOZZEJPHBNP-RYUDHWBXSA-N 1 3 198.354 2.154 20 0 AEADHO CC[NH2+]CCN[C@H]1CCC[C@H]1C(C)C 666782368 487339141 /nfs/dbraw/zinc/33/91/41/487339141.db2.gz ZYDWMCSMIIXXMS-RYUDHWBXSA-N 1 3 198.354 2.010 20 0 AEADHO CC[NH2+]CCN[C@@H]1CCC[C@H]1C(C)C 666782367 487339168 /nfs/dbraw/zinc/33/91/68/487339168.db2.gz ZYDWMCSMIIXXMS-NWDGAFQWSA-N 1 3 198.354 2.010 20 0 AEADHO CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCCN1 666783916 487339194 /nfs/dbraw/zinc/33/91/94/487339194.db2.gz OIAARZAGHCDZCP-RYUDHWBXSA-N 1 3 198.354 2.010 20 0 AEADHO CC[C@@H]1CCC[C@@H]([NH2+]CCCNC)C1 666806948 487339204 /nfs/dbraw/zinc/33/92/04/487339204.db2.gz BQPOOZZEJPHBNP-VXGBXAGGSA-N 1 3 198.354 2.154 20 0 AEADHO CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCCN1 666783914 487339286 /nfs/dbraw/zinc/33/92/86/487339286.db2.gz OIAARZAGHCDZCP-NEPJUHHUSA-N 1 3 198.354 2.010 20 0 AEADHO CC[NH2+]CCN[C@@H](C)C1CCCCC1 666782365 487339296 /nfs/dbraw/zinc/33/92/96/487339296.db2.gz ZVYYWOOYAINLFS-NSHDSACASA-N 1 3 198.354 2.154 20 0 AEADHO CNCCC[NH2+]C[C@H]1CCCC[C@H]1C 666807360 487339388 /nfs/dbraw/zinc/33/93/88/487339388.db2.gz JCHOALITZBQETA-VXGBXAGGSA-N 1 3 198.354 2.012 20 0 AEADHO CNCCC[NH2+][C@@H](C)CC1CCCC1 666808150 487339409 /nfs/dbraw/zinc/33/94/09/487339409.db2.gz ZAJYVUAKFVCVFZ-NSHDSACASA-N 1 3 198.354 2.154 20 0 AEADHO CNCCC[NH2+]C1CCC(C)(C)CC1 666807639 487339432 /nfs/dbraw/zinc/33/94/32/487339432.db2.gz USUXJLWYQIWOBJ-UHFFFAOYSA-N 1 3 198.354 2.154 20 0 AEADHO CCC1CCC([NH2+]CCCNC)CC1 666807073 487339451 /nfs/dbraw/zinc/33/94/51/487339451.db2.gz GLMUCVCCPKVLAC-UHFFFAOYSA-N 1 3 198.354 2.154 20 0 AEADHO CNCCC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C 666808064 487339495 /nfs/dbraw/zinc/33/94/95/487339495.db2.gz FSVWNSZVCRFJHV-GRYCIOLGSA-N 1 3 198.354 2.010 20 0 AEADHO CNCCC[NH2+]C[C@@H]1CCCC[C@@H]1C 666807172 487339514 /nfs/dbraw/zinc/33/95/14/487339514.db2.gz JCHOALITZBQETA-RYUDHWBXSA-N 1 3 198.354 2.012 20 0 AEADHO CNCCC[NH2+][C@@H]1CCC[C@@H]1C(C)C 666808072 487339522 /nfs/dbraw/zinc/33/95/22/487339522.db2.gz IMRZQPVVBMDUSY-VXGBXAGGSA-N 1 3 198.354 2.010 20 0 AEADHO CNCCC[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 666808090 487339639 /nfs/dbraw/zinc/33/96/39/487339639.db2.gz MTBBYEPWKOPETJ-QJPTWQEYSA-N 1 3 198.354 2.010 20 0 AEADHO CNCCC[NH2+][C@H]1CCC[C@@H]1C(C)C 666808069 487339706 /nfs/dbraw/zinc/33/97/06/487339706.db2.gz IMRZQPVVBMDUSY-NEPJUHHUSA-N 1 3 198.354 2.010 20 0 AEADHO CNCCC[NH2+]C[C@H]1CCCC[C@@H]1C 666807171 487339743 /nfs/dbraw/zinc/33/97/43/487339743.db2.gz JCHOALITZBQETA-NWDGAFQWSA-N 1 3 198.354 2.012 20 0 AEADHO CNCCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C 666808145 487339717 /nfs/dbraw/zinc/33/97/17/487339717.db2.gz YOOYGWGAVZSVSW-GRYCIOLGSA-N 1 3 198.354 2.010 20 0 AEADHO CNCCC[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 666808089 487339578 /nfs/dbraw/zinc/33/95/78/487339578.db2.gz MTBBYEPWKOPETJ-IJLUTSLNSA-N 1 3 198.354 2.010 20 0 AEADHO CNCCC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C 666808065 487339587 /nfs/dbraw/zinc/33/95/87/487339587.db2.gz FSVWNSZVCRFJHV-IJLUTSLNSA-N 1 3 198.354 2.010 20 0 AEADHO CNCCC[NH2+]C[C@@H]1CCCC[C@H]1C 666807166 487339764 /nfs/dbraw/zinc/33/97/64/487339764.db2.gz JCHOALITZBQETA-NEPJUHHUSA-N 1 3 198.354 2.012 20 0 AEADHO CNCCC[NH2+][C@@H]1CCC[C@H]1C(C)C 666808070 487340056 /nfs/dbraw/zinc/34/00/56/487340056.db2.gz IMRZQPVVBMDUSY-NWDGAFQWSA-N 1 3 198.354 2.010 20 0 AEADHO CNCCC[NH2+][C@@H](C)CCC(C)C 666808050 487339774 /nfs/dbraw/zinc/33/97/74/487339774.db2.gz BKLDUHKCAPFUPR-NSHDSACASA-N 1 3 186.343 2.010 20 0 AEADHO CNCCC[NH2+][C@@H]1CC[C@H](C)C[C@H]1C 666808147 487339811 /nfs/dbraw/zinc/33/98/11/487339811.db2.gz YOOYGWGAVZSVSW-QJPTWQEYSA-N 1 3 198.354 2.010 20 0 AEADHO CNCCC[NH2+]C1C[C@@H](C)C[C@H](C)C1 666807474 487339829 /nfs/dbraw/zinc/33/98/29/487339829.db2.gz NVYSWOSXXOORGG-QWRGUYRKSA-N 1 3 198.354 2.010 20 0 AEADHO CNCCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C 666808148 487339857 /nfs/dbraw/zinc/33/98/57/487339857.db2.gz YOOYGWGAVZSVSW-SDDRHHMPSA-N 1 3 198.354 2.010 20 0 AEADHO CNCCC[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 666808088 487339897 /nfs/dbraw/zinc/33/98/97/487339897.db2.gz MTBBYEPWKOPETJ-GRYCIOLGSA-N 1 3 198.354 2.010 20 0 AEADHO CNCCC[NH2+][C@@H](C)C1CCCCC1 666808078 487339934 /nfs/dbraw/zinc/33/99/34/487339934.db2.gz JHQZOBJXKWJREY-NSHDSACASA-N 1 3 198.354 2.154 20 0 AEADHO CNCCC[NH2+][C@H](C)C1CCCCC1 666808077 487339979 /nfs/dbraw/zinc/33/99/79/487339979.db2.gz JHQZOBJXKWJREY-LLVKDONJSA-N 1 3 198.354 2.154 20 0 AEADHO CNCCC[NH2+][C@H](C)CC1CCCC1 666808149 487339985 /nfs/dbraw/zinc/33/99/85/487339985.db2.gz ZAJYVUAKFVCVFZ-LLVKDONJSA-N 1 3 198.354 2.154 20 0 AEADHO CCCC[C@@H](CC)[NH2+]CCCNC 666808128 487339998 /nfs/dbraw/zinc/33/99/98/487339998.db2.gz VHZRPBDFNPILSL-LLVKDONJSA-N 1 3 186.343 2.154 20 0 AEADHO CNCCC[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 666808091 487340035 /nfs/dbraw/zinc/34/00/35/487340035.db2.gz MTBBYEPWKOPETJ-SDDRHHMPSA-N 1 3 198.354 2.010 20 0 AEADHO CNCCC[NH2+]C1C[C@H](C)C[C@@H](C)C1 666807473 487340040 /nfs/dbraw/zinc/34/00/40/487340040.db2.gz NVYSWOSXXOORGG-GHMZBOCLSA-N 1 3 198.354 2.010 20 0 AEADHO CNCCC[NH2+][C@@H]1C[C@@H](C)C[C@@H](C)C1 666807472 487340046 /nfs/dbraw/zinc/34/00/46/487340046.db2.gz NVYSWOSXXOORGG-GDNZZTSVSA-N 1 3 198.354 2.010 20 0 AEADHO CNCCC[NH2+][C@H]1CCC[C@H]1C(C)C 666808071 487340064 /nfs/dbraw/zinc/34/00/64/487340064.db2.gz IMRZQPVVBMDUSY-RYUDHWBXSA-N 1 3 198.354 2.010 20 0 AEADHO CNCCC[NH2+][C@H](C)CCC(C)C 666808049 487340069 /nfs/dbraw/zinc/34/00/69/487340069.db2.gz BKLDUHKCAPFUPR-LLVKDONJSA-N 1 3 186.343 2.010 20 0 AEADHO CCCC(CCC)[NH2+]CCCNC 666807624 487340074 /nfs/dbraw/zinc/34/00/74/487340074.db2.gz SMOLKMQWASRBBR-UHFFFAOYSA-N 1 3 186.343 2.154 20 0 AEADHO CNCCC[NH2+][C@@H]1CCC[C@H](C)[C@H]1C 666808066 487340091 /nfs/dbraw/zinc/34/00/91/487340091.db2.gz FSVWNSZVCRFJHV-QJPTWQEYSA-N 1 3 198.354 2.010 20 0 AEADHO CCCC[C@H](CC)[NH2+]CCCNC 666808129 487340117 /nfs/dbraw/zinc/34/01/17/487340117.db2.gz VHZRPBDFNPILSL-NSHDSACASA-N 1 3 186.343 2.154 20 0 AEADHO CNCCC[NH2+][C@@H]1CCCCC1(C)C 666807627 487340122 /nfs/dbraw/zinc/34/01/22/487340122.db2.gz SQHMIPQTHYQNGL-LLVKDONJSA-N 1 3 198.354 2.154 20 0 AEADHO CNCCC[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C 666808067 487340132 /nfs/dbraw/zinc/34/01/32/487340132.db2.gz FSVWNSZVCRFJHV-SDDRHHMPSA-N 1 3 198.354 2.010 20 0 AEADHO CNCCC[NH2+][C@H]1CCCCC1(C)C 666807628 487340147 /nfs/dbraw/zinc/34/01/47/487340147.db2.gz SQHMIPQTHYQNGL-NSHDSACASA-N 1 3 198.354 2.154 20 0 AEADHO CNCCC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C 666808146 487340160 /nfs/dbraw/zinc/34/01/60/487340160.db2.gz YOOYGWGAVZSVSW-IJLUTSLNSA-N 1 3 198.354 2.010 20 0 AEADHO CCCC[C@H](CC)[NH2+]C[C@H](C)CN 666826702 487340296 /nfs/dbraw/zinc/34/02/96/487340296.db2.gz VGQONNTZYOVEFF-MNOVXSKESA-N 1 3 186.343 2.140 20 0 AEADHO CCCC(CCC)[NH2+]C[C@@H](C)CN 666826660 487340607 /nfs/dbraw/zinc/34/06/07/487340607.db2.gz JHXDXYARTYVGQK-JTQLQIEISA-N 1 3 186.343 2.140 20 0 AEADHO C[C@@H](CC1CCCC1)[NH2+]C[C@H](C)CN 666826657 487340875 /nfs/dbraw/zinc/34/08/75/487340875.db2.gz IIYQZKVZZHBLIJ-MNOVXSKESA-N 1 3 198.354 2.140 20 0 AEADHO CCC[NH2+]CCN[C@@H]1CCCC1(C)C 666820064 487340785 /nfs/dbraw/zinc/34/07/85/487340785.db2.gz SVNPVAMCWQVORS-LLVKDONJSA-N 1 3 198.354 2.154 20 0 AEADHO C[C@@H](CN)C[NH2+][C@@H](C)CC1CCCC1 666826658 487340800 /nfs/dbraw/zinc/34/08/00/487340800.db2.gz IIYQZKVZZHBLIJ-QWRGUYRKSA-N 1 3 198.354 2.140 20 0 AEADHO CCCC[C@@H](CC)[NH2+]C[C@H](C)CN 666826701 487340806 /nfs/dbraw/zinc/34/08/06/487340806.db2.gz VGQONNTZYOVEFF-GHMZBOCLSA-N 1 3 186.343 2.140 20 0 AEADHO C[C@H](CN)C[NH2+][C@H](C)CC1CCCC1 666826656 487340819 /nfs/dbraw/zinc/34/08/19/487340819.db2.gz IIYQZKVZZHBLIJ-GHMZBOCLSA-N 1 3 198.354 2.140 20 0 AEADHO CCCC[C@@H](CC)[NH2+]C[C@@H](C)CN 666826704 487340842 /nfs/dbraw/zinc/34/08/42/487340842.db2.gz VGQONNTZYOVEFF-WDEREUQCSA-N 1 3 186.343 2.140 20 0 AEADHO CCC[NH2+]CCN[C@H]1CCCC1(C)C 666820065 487340882 /nfs/dbraw/zinc/34/08/82/487340882.db2.gz SVNPVAMCWQVORS-NSHDSACASA-N 1 3 198.354 2.154 20 0 AEADHO CCCC[C@H](CC)[NH2+]C[C@@H](C)CN 666826703 487340963 /nfs/dbraw/zinc/34/09/63/487340963.db2.gz VGQONNTZYOVEFF-QWRGUYRKSA-N 1 3 186.343 2.140 20 0 AEADHO CCCC(CCC)[NH2+]C[C@H](C)CN 666826661 487340946 /nfs/dbraw/zinc/34/09/46/487340946.db2.gz JHXDXYARTYVGQK-SNVBAGLBSA-N 1 3 186.343 2.140 20 0 AEADHO C[C@@H](CN)C[NH2+][C@H](C)CC1CCCC1 666826659 487340988 /nfs/dbraw/zinc/34/09/88/487340988.db2.gz IIYQZKVZZHBLIJ-WDEREUQCSA-N 1 3 198.354 2.140 20 0 AEADHO C[C@H]1CCCC[C@H]1C[NH2+][C@H](C)CCN 666832338 487341108 /nfs/dbraw/zinc/34/11/08/487341108.db2.gz MIURJLBIGUNWNS-TUAOUCFPSA-N 1 3 198.354 2.140 20 0 AEADHO C[C@H](CCN)[NH2+]C[C@H]1CCCC[C@H]1C 666832336 487341125 /nfs/dbraw/zinc/34/11/25/487341125.db2.gz MIURJLBIGUNWNS-IJLUTSLNSA-N 1 3 198.354 2.140 20 0 AEADHO C[C@H]1CCCC[C@@H]1C[NH2+][C@H](C)CCN 666832337 487341343 /nfs/dbraw/zinc/34/13/43/487341343.db2.gz MIURJLBIGUNWNS-QJPTWQEYSA-N 1 3 198.354 2.140 20 0 AEADHO C[C@@H](CCN)[NH2+][C@H](C)C1CCCCC1 666833239 487341386 /nfs/dbraw/zinc/34/13/86/487341386.db2.gz YAGVMNOPPRNQKE-WDEREUQCSA-N 1 3 198.354 2.282 20 0 AEADHO C[C@H]([NH2+][C@H](C)CCN)C1CCCCC1 666833237 487341390 /nfs/dbraw/zinc/34/13/90/487341390.db2.gz YAGVMNOPPRNQKE-MNOVXSKESA-N 1 3 198.354 2.282 20 0 AEADHO C[C@H](CCN)[NH2+][C@H](C)C1CCCCC1 666833236 487341436 /nfs/dbraw/zinc/34/14/36/487341436.db2.gz YAGVMNOPPRNQKE-GHMZBOCLSA-N 1 3 198.354 2.282 20 0 AEADHO C[C@@H](CCN)[NH2+][C@@H](C)C1CCCCC1 666833238 487341472 /nfs/dbraw/zinc/34/14/72/487341472.db2.gz YAGVMNOPPRNQKE-QWRGUYRKSA-N 1 3 198.354 2.282 20 0 AEADHO C[C@H](CCN)[NH2+]C[C@@H]1CCCC[C@H]1C 666832339 487341640 /nfs/dbraw/zinc/34/16/40/487341640.db2.gz MIURJLBIGUNWNS-UTUOFQBUSA-N 1 3 198.354 2.140 20 0 AEADHO CCC[C@H](CC)[NH2+][C@H]1CCN[C@H](C)C1 666874221 487343982 /nfs/dbraw/zinc/34/39/82/487343982.db2.gz HZVKKUACBSEZDL-WOPDTQHZSA-N 1 3 198.354 2.295 20 0 AEADHO C[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)CCN1 666874213 487344010 /nfs/dbraw/zinc/34/40/10/487344010.db2.gz DZUIHWWHXJVWLV-QWRGUYRKSA-N 1 3 198.354 2.153 20 0 AEADHO CCC(CC)C[NH2+][C@H]1CCN[C@H](C)C1 666873272 487344031 /nfs/dbraw/zinc/34/40/31/487344031.db2.gz STMXBVONOLWAJT-PWSUYJOCSA-N 1 3 198.354 2.153 20 0 AEADHO CCC[C@H](CC)[NH2+][C@@H]1CCN[C@@H](C)C1 666874219 487344096 /nfs/dbraw/zinc/34/40/96/487344096.db2.gz HZVKKUACBSEZDL-SDDRHHMPSA-N 1 3 198.354 2.295 20 0 AEADHO C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C)CCN1 666874212 487344101 /nfs/dbraw/zinc/34/41/01/487344101.db2.gz DZUIHWWHXJVWLV-MNOVXSKESA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)CCC[NH2+][C@H]1CCN[C@H](C)C1 666874254 487344125 /nfs/dbraw/zinc/34/41/25/487344125.db2.gz VCHJHIMTWRCRIF-NEPJUHHUSA-N 1 3 198.354 2.153 20 0 AEADHO CCCC[C@H](C)[NH2+][C@@H]1CCN[C@H](C)C1 666874189 487344134 /nfs/dbraw/zinc/34/41/34/487344134.db2.gz AMXFTJRFWNSVIV-QJPTWQEYSA-N 1 3 198.354 2.295 20 0 AEADHO CCC(CC)C[NH2+][C@@H]1CCN[C@H](C)C1 666873273 487344169 /nfs/dbraw/zinc/34/41/69/487344169.db2.gz STMXBVONOLWAJT-ZYHUDNBSSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)CCC[NH2+][C@@H]1CCN[C@@H](C)C1 666874255 487344209 /nfs/dbraw/zinc/34/42/09/487344209.db2.gz VCHJHIMTWRCRIF-NWDGAFQWSA-N 1 3 198.354 2.153 20 0 AEADHO CCC(CC)C[NH2+][C@@H]1CCN[C@@H](C)C1 666873270 487344252 /nfs/dbraw/zinc/34/42/52/487344252.db2.gz STMXBVONOLWAJT-CMPLNLGQSA-N 1 3 198.354 2.153 20 0 AEADHO CCC[C@H](CC)[NH2+][C@H]1CCN[C@@H](C)C1 666874220 487344330 /nfs/dbraw/zinc/34/43/30/487344330.db2.gz HZVKKUACBSEZDL-SRVKXCTJSA-N 1 3 198.354 2.295 20 0 AEADHO CCCC[C@H](C)[NH2+][C@@H]1CCN[C@@H](C)C1 666874192 487344336 /nfs/dbraw/zinc/34/43/36/487344336.db2.gz AMXFTJRFWNSVIV-SDDRHHMPSA-N 1 3 198.354 2.295 20 0 AEADHO CCCC[C@H](C)[NH2+][C@H]1CCN[C@H](C)C1 666874198 487344353 /nfs/dbraw/zinc/34/43/53/487344353.db2.gz AMXFTJRFWNSVIV-TUAOUCFPSA-N 1 3 198.354 2.295 20 0 AEADHO C[C@@H]1C[C@H]([NH2+]CCC(C)(C)C)CCN1 666874211 487344530 /nfs/dbraw/zinc/34/45/30/487344530.db2.gz DZUIHWWHXJVWLV-GHMZBOCLSA-N 1 3 198.354 2.153 20 0 AEADHO CCCC[C@H](C)[NH2+][C@H]1CCN[C@@H](C)C1 666874195 487344538 /nfs/dbraw/zinc/34/45/38/487344538.db2.gz AMXFTJRFWNSVIV-SRVKXCTJSA-N 1 3 198.354 2.295 20 0 AEADHO C[C@H]1C[C@H]([NH2+]CCC(C)(C)C)CCN1 666874214 487344596 /nfs/dbraw/zinc/34/45/96/487344596.db2.gz DZUIHWWHXJVWLV-WDEREUQCSA-N 1 3 198.354 2.153 20 0 AEADHO CCC[C@H](CC)[NH2+][C@@H]1CCN[C@H](C)C1 666874218 487344621 /nfs/dbraw/zinc/34/46/21/487344621.db2.gz HZVKKUACBSEZDL-GRYCIOLGSA-N 1 3 198.354 2.295 20 0 AEADHO CCC(CC)C[NH2+][C@H]1CCN[C@@H](C)C1 666873271 487344656 /nfs/dbraw/zinc/34/46/56/487344656.db2.gz STMXBVONOLWAJT-JQWIXIFHSA-N 1 3 198.354 2.153 20 0 AEADHO CC[NH2+][C@H](C)CN[C@H](C)CC1CCC1 666878527 487344943 /nfs/dbraw/zinc/34/49/43/487344943.db2.gz GJIOYKVQQVEOTK-GHMZBOCLSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)(C)CC[NH2+]C1(C)CCNCC1 666882273 487344960 /nfs/dbraw/zinc/34/49/60/487344960.db2.gz VGSIYLSVBNOFPW-UHFFFAOYSA-N 1 3 198.354 2.154 20 0 AEADHO CCCC[C@H](C)NC[C@@H](C)[NH2+]CC 666877401 487345019 /nfs/dbraw/zinc/34/50/19/487345019.db2.gz NRIQOKICHRLWMA-WDEREUQCSA-N 1 3 186.343 2.153 20 0 AEADHO CC[NH2+][C@H](C)CN[C@@H]1CCCC[C@H]1C 666877389 487345029 /nfs/dbraw/zinc/34/50/29/487345029.db2.gz HAAAXMWUDNRGOO-IJLUTSLNSA-N 1 3 198.354 2.153 20 0 AEADHO CC[NH2+][C@H](C)CN[C@H]1CCC(C)(C)C1 666877420 487345064 /nfs/dbraw/zinc/34/50/64/487345064.db2.gz WPNAYRVADRMZKP-MNOVXSKESA-N 1 3 198.354 2.153 20 0 AEADHO CC[NH2+][C@H](C)CN[C@H]1CCC[C@@H](C)C1 666877369 487345074 /nfs/dbraw/zinc/34/50/74/487345074.db2.gz AQGMFPJRPMPTOO-UTUOFQBUSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)CCC[NH2+]C1(C)CCNCC1 666882226 487345092 /nfs/dbraw/zinc/34/50/92/487345092.db2.gz GUUWWTBXMRWDMN-UHFFFAOYSA-N 1 3 198.354 2.154 20 0 AEADHO CC[NH2+][C@H](C)CN[C@H]1CCCC[C@H]1C 666877392 487345097 /nfs/dbraw/zinc/34/50/97/487345097.db2.gz HAAAXMWUDNRGOO-UTUOFQBUSA-N 1 3 198.354 2.153 20 0 AEADHO CC[NH2+][C@H](C)CNCCCC(C)C 666878589 487345006 /nfs/dbraw/zinc/34/50/06/487345006.db2.gz QWOSNYCMVOTWBN-LLVKDONJSA-N 1 3 186.343 2.010 20 0 AEADHO CC[NH2+][C@H](C)CN[C@@H](C)CC1CCC1 666878528 487345143 /nfs/dbraw/zinc/34/51/43/487345143.db2.gz GJIOYKVQQVEOTK-WDEREUQCSA-N 1 3 198.354 2.153 20 0 AEADHO CC[NH2+][C@H](C)CNCC(CC)CC 666877227 487345150 /nfs/dbraw/zinc/34/51/50/487345150.db2.gz GDGCAJRVVPBFNX-SNVBAGLBSA-N 1 3 186.343 2.010 20 0 AEADHO CC[NH2+][C@H](C)CNCCC(C)(C)C 666878601 487345161 /nfs/dbraw/zinc/34/51/61/487345161.db2.gz VXQKODREJRRTBG-SNVBAGLBSA-N 1 3 186.343 2.010 20 0 AEADHO CC[NH2+][C@H](C)CNCC1CCCCC1 666877236 487345167 /nfs/dbraw/zinc/34/51/67/487345167.db2.gz KUKPRLKZYFXJMN-LLVKDONJSA-N 1 3 198.354 2.154 20 0 AEADHO CC[NH2+][C@H](C)CN[C@H]1CCCC1(C)C 666877386 487345182 /nfs/dbraw/zinc/34/51/82/487345182.db2.gz GKAUEKFWWBTMSK-MNOVXSKESA-N 1 3 198.354 2.153 20 0 AEADHO CC[NH2+][C@H](C)CN[C@@H]1CCCC1(C)C 666877385 487345209 /nfs/dbraw/zinc/34/52/09/487345209.db2.gz GKAUEKFWWBTMSK-GHMZBOCLSA-N 1 3 198.354 2.153 20 0 AEADHO CC[NH2+][C@H](C)CNC1CCC(C)CC1 666877393 487345239 /nfs/dbraw/zinc/34/52/39/487345239.db2.gz HIQSTNZXHAPUAV-MOENNCHZSA-N 1 3 198.354 2.153 20 0 AEADHO CC[NH2+][C@H](C)CN[C@H](C)CC(C)C 666877364 487345264 /nfs/dbraw/zinc/34/52/64/487345264.db2.gz ACDUMMNRHJLFPT-GHMZBOCLSA-N 1 3 186.343 2.009 20 0 AEADHO CC[NH2+][C@H](C)CN[C@H]1CCCC[C@@H]1C 666877391 487345281 /nfs/dbraw/zinc/34/52/81/487345281.db2.gz HAAAXMWUDNRGOO-TUAOUCFPSA-N 1 3 198.354 2.153 20 0 AEADHO CC[NH2+][C@H](C)CN[C@@H](C)CC(C)C 666877365 487345313 /nfs/dbraw/zinc/34/53/13/487345313.db2.gz ACDUMMNRHJLFPT-WDEREUQCSA-N 1 3 186.343 2.009 20 0 AEADHO CC[NH2+][C@H](C)CN[C@@H]1CCC(C)(C)C1 666877419 487345419 /nfs/dbraw/zinc/34/54/19/487345419.db2.gz WPNAYRVADRMZKP-GHMZBOCLSA-N 1 3 198.354 2.153 20 0 AEADHO CCC[C@H](CC)NC[C@@H](C)[NH2+]CC 666877405 487345448 /nfs/dbraw/zinc/34/54/48/487345448.db2.gz PNNOUDGGMNPBTP-MNOVXSKESA-N 1 3 186.343 2.153 20 0 AEADHO CCC[C@@H](CC)NC[C@@H](C)[NH2+]CC 666877404 487345483 /nfs/dbraw/zinc/34/54/83/487345483.db2.gz PNNOUDGGMNPBTP-GHMZBOCLSA-N 1 3 186.343 2.153 20 0 AEADHO CC[NH2+][C@H](C)CN[C@H](C)CCC1CC1 666878597 487345497 /nfs/dbraw/zinc/34/54/97/487345497.db2.gz UNMYKZZUIKINIR-GHMZBOCLSA-N 1 3 198.354 2.153 20 0 AEADHO CCCC[C@@H](C)NC[C@@H](C)[NH2+]CC 666877400 487345526 /nfs/dbraw/zinc/34/55/26/487345526.db2.gz NRIQOKICHRLWMA-GHMZBOCLSA-N 1 3 186.343 2.153 20 0 AEADHO CC[NH2+][C@H](C)CN[C@@H]1CCC[C@H](C)C1 666877367 487345550 /nfs/dbraw/zinc/34/55/50/487345550.db2.gz AQGMFPJRPMPTOO-QJPTWQEYSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)CCC[NH2+][C@@H]1CCN[C@H](C)C1 666874257 487345558 /nfs/dbraw/zinc/34/55/58/487345558.db2.gz VCHJHIMTWRCRIF-VXGBXAGGSA-N 1 3 198.354 2.153 20 0 AEADHO CC[NH2+][C@H](C)CN[C@@H](C)CCC1CC1 666878598 487345611 /nfs/dbraw/zinc/34/56/11/487345611.db2.gz UNMYKZZUIKINIR-WDEREUQCSA-N 1 3 198.354 2.153 20 0 AEADHO CC[NH2+][C@H](C)CN[C@@H]1CCC[C@@H](C)C1 666877366 487345665 /nfs/dbraw/zinc/34/56/65/487345665.db2.gz AQGMFPJRPMPTOO-IJLUTSLNSA-N 1 3 198.354 2.153 20 0 AEADHO CC[NH2+][C@H](C)CNC1CCCCCC1 666877375 487345673 /nfs/dbraw/zinc/34/56/73/487345673.db2.gz CWKPWTNCVNMPRQ-LLVKDONJSA-N 1 3 198.354 2.297 20 0 AEADHO CCC(CC)C[NH2+]C1(C)CCNCC1 666881386 487345682 /nfs/dbraw/zinc/34/56/82/487345682.db2.gz HUNFPJAECVXQBT-UHFFFAOYSA-N 1 3 198.354 2.154 20 0 AEADHO CC[NH2+][C@H](C)CN[C@@H]1CCCC[C@@H]1C 666877390 487345717 /nfs/dbraw/zinc/34/57/17/487345717.db2.gz HAAAXMWUDNRGOO-QJPTWQEYSA-N 1 3 198.354 2.153 20 0 AEADHO CC[NH2+][C@H](C)CN[C@H]1CCC[C@H](C)C1 666877368 487345755 /nfs/dbraw/zinc/34/57/55/487345755.db2.gz AQGMFPJRPMPTOO-TUAOUCFPSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)CCC[NH2+][C@H]1CCN[C@@H](C)C1 666874256 487345770 /nfs/dbraw/zinc/34/57/70/487345770.db2.gz VCHJHIMTWRCRIF-RYUDHWBXSA-N 1 3 198.354 2.153 20 0 AEADHO CCC(CC)C[NH2+][C@@H]1CCNC1(C)C 666966109 487352075 /nfs/dbraw/zinc/35/20/75/487352075.db2.gz QQWMNRWPDPURPK-LLVKDONJSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)(C)CC[NH2+][C@@H]1CCNC1(C)C 666966119 487352105 /nfs/dbraw/zinc/35/21/05/487352105.db2.gz UBIKKZPQMPJFIW-SNVBAGLBSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)CCC[NH2+][C@@H]1CCNC1(C)C 666966058 487352229 /nfs/dbraw/zinc/35/22/29/487352229.db2.gz DVBYYUPJGYGVAL-LLVKDONJSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)CCC[NH2+][C@H]1CCNC1(C)C 666966059 487352460 /nfs/dbraw/zinc/35/24/60/487352460.db2.gz DVBYYUPJGYGVAL-NSHDSACASA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)(C)CC[NH2+][C@H]1CCNC1(C)C 666966118 487352676 /nfs/dbraw/zinc/35/26/76/487352676.db2.gz UBIKKZPQMPJFIW-JTQLQIEISA-N 1 3 198.354 2.153 20 0 AEADHO CCC(CC)C[NH2+][C@H]1CCNC1(C)C 666966110 487352746 /nfs/dbraw/zinc/35/27/46/487352746.db2.gz QQWMNRWPDPURPK-NSHDSACASA-N 1 3 198.354 2.153 20 0 AEADHO C[C@H](CC1CCCCC1)[NH2+]CCCN 667030943 487353605 /nfs/dbraw/zinc/35/36/05/487353605.db2.gz MRZODDYBJAUYOO-LLVKDONJSA-N 1 3 198.354 2.284 20 0 AEADHO CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]CCCN 667050177 487354203 /nfs/dbraw/zinc/35/42/03/487354203.db2.gz NAXKQPMPMFNDMM-GHMZBOCLSA-N 1 3 198.354 2.140 20 0 AEADHO CC(C)(C)[C@H]1CCC[C@H]1[NH2+]CCCN 667050180 487354376 /nfs/dbraw/zinc/35/43/76/487354376.db2.gz NAXKQPMPMFNDMM-WDEREUQCSA-N 1 3 198.354 2.140 20 0 AEADHO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]CCCN 667050178 487354404 /nfs/dbraw/zinc/35/44/04/487354404.db2.gz NAXKQPMPMFNDMM-MNOVXSKESA-N 1 3 198.354 2.140 20 0 AEADHO CC(C)(C)[C@H]1CCC[C@@H]1[NH2+]CCCN 667050179 487354441 /nfs/dbraw/zinc/35/44/41/487354441.db2.gz NAXKQPMPMFNDMM-QWRGUYRKSA-N 1 3 198.354 2.140 20 0 AEADHO CC[C@@H]1CC[C@@H]1[NH2+]CC[C@H](C)N(C)C 895291754 582525879 /nfs/dbraw/zinc/52/58/79/582525879.db2.gz CLRSRPZSAUHIRQ-TUAOUCFPSA-N 1 3 198.354 2.105 20 0 AEADHO CC[C@@H]1CC[C@H]1[NH2+]CC[C@H](C)N(C)C 895291752 582526011 /nfs/dbraw/zinc/52/60/11/582526011.db2.gz CLRSRPZSAUHIRQ-QJPTWQEYSA-N 1 3 198.354 2.105 20 0 AEADHO CC[C@@H]1CC[C@@H]1[NH2+]CC[C@@H](C)N(C)C 895291755 582526125 /nfs/dbraw/zinc/52/61/25/582526125.db2.gz CLRSRPZSAUHIRQ-UTUOFQBUSA-N 1 3 198.354 2.105 20 0 AEADHO CC[C@@H]1CC[C@H]1[NH2+]CC[C@@H](C)N(C)C 895291750 582526155 /nfs/dbraw/zinc/52/61/55/582526155.db2.gz CLRSRPZSAUHIRQ-IJLUTSLNSA-N 1 3 198.354 2.105 20 0 AEADHO C[C@H](N)CC[NH2+]C1CCCCCCC1 841035668 582548726 /nfs/dbraw/zinc/54/87/26/582548726.db2.gz LQBMSTNUTJHZJG-NSHDSACASA-N 1 3 198.354 2.426 20 0 AEADHO CCCC[NH2+][C@@H]1CCNCC(C)(C)C1 902317731 582595042 /nfs/dbraw/zinc/59/50/42/582595042.db2.gz FPAISVDNVPPJSD-LLVKDONJSA-N 1 3 198.354 2.154 20 0 AEADHO CCCC[NH2+][C@H]1CCNCC(C)(C)C1 902317732 582595272 /nfs/dbraw/zinc/59/52/72/582595272.db2.gz FPAISVDNVPPJSD-NSHDSACASA-N 1 3 198.354 2.154 20 0 AEADHO CC(C)[C@H](C)NC[C@H]1CCCCC[NH2+]1 902488943 582608975 /nfs/dbraw/zinc/60/89/75/582608975.db2.gz OTMGIMQIZVNAPS-NWDGAFQWSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)[C@@H](C)NC[C@@H]1CCCCC[NH2+]1 902488942 582608629 /nfs/dbraw/zinc/60/86/29/582608629.db2.gz OTMGIMQIZVNAPS-NEPJUHHUSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)[C@H](C)NC[C@@H]1CCCCC[NH2+]1 902488944 582608812 /nfs/dbraw/zinc/60/88/12/582608812.db2.gz OTMGIMQIZVNAPS-RYUDHWBXSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)[C@@H](C)NC[C@H]1CCCCC[NH2+]1 902488945 582609464 /nfs/dbraw/zinc/60/94/64/582609464.db2.gz OTMGIMQIZVNAPS-VXGBXAGGSA-N 1 3 198.354 2.153 20 0 AEADHO NCCC[NH2+]C1(C2CCCCC2)CC1 904472060 582639207 /nfs/dbraw/zinc/63/92/07/582639207.db2.gz GBJNMWMTXKNWBG-UHFFFAOYSA-N 1 3 196.338 2.038 20 0 AEADHO C[C@H]([NH2+][C@H]1C[C@H](N)C1)C1CCCCC1 906519338 582655779 /nfs/dbraw/zinc/65/57/79/582655779.db2.gz YVMKVTXMSLDZIB-DLOVCJGASA-N 1 3 196.338 2.035 20 0 AEADHO CCC(CC)(CC)C[NH2+][C@H]1C[C@H](N)C1 906516266 582655871 /nfs/dbraw/zinc/65/58/71/582655871.db2.gz AHCIRBXOCCDYMW-XYPYZODXSA-N 1 3 198.354 2.282 20 0 AEADHO CCC(CC)(CC)CN[C@H]1C[C@H]([NH3+])C1 906516266 582655874 /nfs/dbraw/zinc/65/58/74/582655874.db2.gz AHCIRBXOCCDYMW-XYPYZODXSA-N 1 3 198.354 2.282 20 0 AEADHO CCCC[NH2+]C[C@H]1CCCN(CC)C1 906527741 582656003 /nfs/dbraw/zinc/65/60/03/582656003.db2.gz RQDDCVOJLFOORZ-GFCCVEGCSA-N 1 3 198.354 2.108 20 0 AEADHO C[C@@H]([NH2+][C@H]1C[C@H](N)C1)C1CCCCC1 906519339 582656024 /nfs/dbraw/zinc/65/60/24/582656024.db2.gz YVMKVTXMSLDZIB-YUSALJHKSA-N 1 3 196.338 2.035 20 0 AEADHO N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 906518485 582656034 /nfs/dbraw/zinc/65/60/34/582656034.db2.gz PNXNSIGOTWHPAO-HAQNSBGRSA-N 1 3 196.338 2.036 20 0 AEADHO [NH3+][C@H]1C[C@H](NCCC2CCCCC2)C1 906518485 582656036 /nfs/dbraw/zinc/65/60/36/582656036.db2.gz PNXNSIGOTWHPAO-HAQNSBGRSA-N 1 3 196.338 2.036 20 0 AEADHO CCCC[NH2+]C[C@@H]1CCCN(CC)C1 906527743 582656201 /nfs/dbraw/zinc/65/62/01/582656201.db2.gz RQDDCVOJLFOORZ-LBPRGKRZSA-N 1 3 198.354 2.108 20 0 AEADHO C[C@H]1CCCC[N@H+]1[C@@H]1CCN[C@H](C)C1 229540195 582705523 /nfs/dbraw/zinc/70/55/23/582705523.db2.gz KXKGWSMELKYDEY-GRYCIOLGSA-N 1 3 196.338 2.001 20 0 AEADHO C[C@H]1CCCC[N@@H+]1[C@@H]1CCN[C@H](C)C1 229540195 582705526 /nfs/dbraw/zinc/70/55/26/582705526.db2.gz KXKGWSMELKYDEY-GRYCIOLGSA-N 1 3 196.338 2.001 20 0 AEADHO C[C@H]1CCCC[N@H+]1[C@H]1CCN[C@H](C)C1 229540212 582706429 /nfs/dbraw/zinc/70/64/29/582706429.db2.gz KXKGWSMELKYDEY-WOPDTQHZSA-N 1 3 196.338 2.001 20 0 AEADHO C[C@H]1CCCC[N@@H+]1[C@H]1CCN[C@H](C)C1 229540212 582706444 /nfs/dbraw/zinc/70/64/44/582706444.db2.gz KXKGWSMELKYDEY-WOPDTQHZSA-N 1 3 196.338 2.001 20 0 AEADHO C[C@H]1C[C@H]([NH+]2CCCCCC2)CCN1 229540378 582706656 /nfs/dbraw/zinc/70/66/56/582706656.db2.gz SSYZZEGNZVAICJ-NWDGAFQWSA-N 1 3 196.338 2.003 20 0 AEADHO C[C@@H]1C[C@H]([NH+]2CCCCCC2)CCN1 229540371 582706769 /nfs/dbraw/zinc/70/67/69/582706769.db2.gz SSYZZEGNZVAICJ-VXGBXAGGSA-N 1 3 196.338 2.003 20 0 AEADHO CCCCCC[NH2+][C@H](C)C[C@H](C)N 817895565 582998687 /nfs/dbraw/zinc/99/86/87/582998687.db2.gz ZHRLDCXBYGDRBI-WDEREUQCSA-N 1 3 186.343 2.282 20 0 AEADHO CNCCC[NH2+][C@H](C)CC(C)(C)C 817944212 582998961 /nfs/dbraw/zinc/99/89/61/582998961.db2.gz ZSUNZUPRHVNTHB-SNVBAGLBSA-N 1 3 186.343 2.010 20 0 AEADHO CCCCCC[NH2+][C@H](C)C[C@@H](C)N 817895551 582999215 /nfs/dbraw/zinc/99/92/15/582999215.db2.gz ZHRLDCXBYGDRBI-GHMZBOCLSA-N 1 3 186.343 2.282 20 0 AEADHO CNCCC[NH2+][C@@H](C)CC(C)(C)C 817944211 582999225 /nfs/dbraw/zinc/99/92/25/582999225.db2.gz ZSUNZUPRHVNTHB-JTQLQIEISA-N 1 3 186.343 2.010 20 0 AEADHO CCCCCC[NH2+][C@@H](C)C[C@@H](C)N 817895561 582999329 /nfs/dbraw/zinc/99/93/29/582999329.db2.gz ZHRLDCXBYGDRBI-MNOVXSKESA-N 1 3 186.343 2.282 20 0 AEADHO CCCCCC[NH2+][C@@H](C)C[C@H](C)N 817895563 582999340 /nfs/dbraw/zinc/99/93/40/582999340.db2.gz ZHRLDCXBYGDRBI-QWRGUYRKSA-N 1 3 186.343 2.282 20 0 AEADHO C[C@H](N)CC[NH2+][C@@H](C)CC(C)(C)C 817951286 582999812 /nfs/dbraw/zinc/99/98/12/582999812.db2.gz CPOPZKFUYHGUCP-UWVGGRQHSA-N 1 3 186.343 2.138 20 0 AEADHO CC[NH2+]CCN[C@H](C)CC(C)(C)C 817951139 582999896 /nfs/dbraw/zinc/99/98/96/582999896.db2.gz AFCDJYVPHWXTPD-SNVBAGLBSA-N 1 3 186.343 2.010 20 0 AEADHO CC[NH2+]CCN[C@@H](C)CC(C)(C)C 817951138 583000136 /nfs/dbraw/zinc/00/01/36/583000136.db2.gz AFCDJYVPHWXTPD-JTQLQIEISA-N 1 3 186.343 2.010 20 0 AEADHO C[C@H](N)CC[NH2+][C@H](C)CC(C)(C)C 817951288 583000712 /nfs/dbraw/zinc/00/07/12/583000712.db2.gz CPOPZKFUYHGUCP-VHSXEESVSA-N 1 3 186.343 2.138 20 0 AEADHO CNCCC[NH2+]C1CCCCCCC1 841041017 583112063 /nfs/dbraw/zinc/11/20/63/583112063.db2.gz AEPBBJRAXJLOEU-UHFFFAOYSA-N 1 3 198.354 2.298 20 0 AEADHO CC(C)CC1CCN(CCC[NH3+])CC1 841011004 583112740 /nfs/dbraw/zinc/11/27/40/583112740.db2.gz ZMSWVGSMGGQIDI-UHFFFAOYSA-N 1 3 198.354 2.093 20 0 AEADHO CC(C)CC1CC[NH+](C[C@@H](C)N)CC1 843359310 583132140 /nfs/dbraw/zinc/13/21/40/583132140.db2.gz DRCVOVCPTLWTGT-LLVKDONJSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)CC1CC[NH+](C[C@H](C)N)CC1 843359311 583132148 /nfs/dbraw/zinc/13/21/48/583132148.db2.gz DRCVOVCPTLWTGT-NSHDSACASA-N 1 3 198.354 2.092 20 0 AEADHO CCCCC[C@H](C)N[C@H](C)C[NH2+]C 853249386 583216837 /nfs/dbraw/zinc/21/68/37/583216837.db2.gz QNVKMUDHJPIMPA-WDEREUQCSA-N 1 3 186.343 2.153 20 0 AEADHO CCCCC[C@H](C)N[C@@H](C)C[NH2+]C 853249385 583217042 /nfs/dbraw/zinc/21/70/42/583217042.db2.gz QNVKMUDHJPIMPA-QWRGUYRKSA-N 1 3 186.343 2.153 20 0 AEADHO CCCCC[C@@H](C)N[C@H](C)C[NH2+]C 853249383 583217132 /nfs/dbraw/zinc/21/71/32/583217132.db2.gz QNVKMUDHJPIMPA-GHMZBOCLSA-N 1 3 186.343 2.153 20 0 AEADHO CCCCC[C@@H](C)N[C@@H](C)C[NH2+]C 853249384 583217258 /nfs/dbraw/zinc/21/72/58/583217258.db2.gz QNVKMUDHJPIMPA-MNOVXSKESA-N 1 3 186.343 2.153 20 0 AEADHO C[NH2+]C[C@H](C)NC1CCCCCCC1 853249358 583217701 /nfs/dbraw/zinc/21/77/01/583217701.db2.gz QBHDVZWGJLRMOR-NSHDSACASA-N 1 3 198.354 2.297 20 0 AEADHO C[NH2+]C[C@@H](C)NC1CCCCCCC1 853249357 583217742 /nfs/dbraw/zinc/21/77/42/583217742.db2.gz QBHDVZWGJLRMOR-LLVKDONJSA-N 1 3 198.354 2.297 20 0 AEADHO CCCCCC[N@@H+]1C[C@@H](CN)C[C@@H]1C 122335171 583339633 /nfs/dbraw/zinc/33/96/33/583339633.db2.gz MCORAVKLLXOEIN-NWDGAFQWSA-N 1 3 198.354 2.236 20 0 AEADHO CCCCCC[N@H+]1C[C@@H](CN)C[C@@H]1C 122335171 583339637 /nfs/dbraw/zinc/33/96/37/583339637.db2.gz MCORAVKLLXOEIN-NWDGAFQWSA-N 1 3 198.354 2.236 20 0 AEADHO CCCCCC[N@@H+]1C[C@H](CN)C[C@@H]1C 122334935 583340182 /nfs/dbraw/zinc/34/01/82/583340182.db2.gz MCORAVKLLXOEIN-RYUDHWBXSA-N 1 3 198.354 2.236 20 0 AEADHO CCCCCC[N@H+]1C[C@H](CN)C[C@@H]1C 122334935 583340183 /nfs/dbraw/zinc/34/01/83/583340183.db2.gz MCORAVKLLXOEIN-RYUDHWBXSA-N 1 3 198.354 2.236 20 0 AEADHO CCCC[NH2+]CCCN(CC)CC 19943268 583375365 /nfs/dbraw/zinc/37/53/65/583375365.db2.gz UDJICCVVJQZBQW-UHFFFAOYSA-N 1 3 186.343 2.108 20 0 AEADHO CCCC[NH2+]CCCN1CCCCC1 20128839 583377564 /nfs/dbraw/zinc/37/75/64/583377564.db2.gz JEVOYEBCKZSCDB-UHFFFAOYSA-N 1 3 198.354 2.252 20 0 AEADHO CCC(CC)N1CCC[C@]12CC[NH2+]C2 211356995 583440431 /nfs/dbraw/zinc/44/04/31/583440431.db2.gz LWYRLPCNYOFXBR-GFCCVEGCSA-N 1 3 196.338 2.003 20 0 AEADHO CCC(CC)N1CCC[C@@]12CC[NH2+]C2 211356924 583440646 /nfs/dbraw/zinc/44/06/46/583440646.db2.gz LWYRLPCNYOFXBR-LBPRGKRZSA-N 1 3 196.338 2.003 20 0 AEADHO CC(C)CC[C@@H](C)[NH2+]C1CCNCC1 38040645 490013782 /nfs/dbraw/zinc/01/37/82/490013782.db2.gz RFDIDQDJDVLSBG-LLVKDONJSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)CC[C@H](C)[NH2+]C1CCNCC1 38040646 490013809 /nfs/dbraw/zinc/01/38/09/490013809.db2.gz RFDIDQDJDVLSBG-NSHDSACASA-N 1 3 198.354 2.153 20 0 AEADHO C1CCC([NH2+]CCCNC2CC2)CC1 40397783 490014217 /nfs/dbraw/zinc/01/42/17/490014217.db2.gz BVZCEAFRAINLMJ-UHFFFAOYSA-N 1 3 196.338 2.051 20 0 AEADHO CC(C)[NH2+]CCNC1CCCCCC1 40397502 490014351 /nfs/dbraw/zinc/01/43/51/490014351.db2.gz QFHXSRJTQNLGSD-UHFFFAOYSA-N 1 3 198.354 2.297 20 0 AEADHO CNCCC[N@H+](C)C1CCC(C)CC1 42488128 490015233 /nfs/dbraw/zinc/01/52/33/490015233.db2.gz CAWRZMHHBOJRCV-UHFFFAOYSA-N 1 3 198.354 2.106 20 0 AEADHO CNCCC[N@@H+](C)C1CCC(C)CC1 42488128 490015234 /nfs/dbraw/zinc/01/52/34/490015234.db2.gz CAWRZMHHBOJRCV-UHFFFAOYSA-N 1 3 198.354 2.106 20 0 AEADHO C[C@H]([NH2+][C@H]1CCC[C@H](N)C1)C1CCC1 123941870 490029218 /nfs/dbraw/zinc/02/92/18/490029218.db2.gz PKPUBFYKDHWSKY-DLOVCJGASA-N 1 3 196.338 2.035 20 0 AEADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)C1CCC1 123941381 490029679 /nfs/dbraw/zinc/02/96/79/490029679.db2.gz PKPUBFYKDHWSKY-ZMLRMANQSA-N 1 3 196.338 2.035 20 0 AEADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)C1 128434042 490044864 /nfs/dbraw/zinc/04/48/64/490044864.db2.gz IQYRUIOWGBAMLQ-KXNHARMFSA-N 1 3 196.338 2.035 20 0 AEADHO CCC[NH2+]CCN[C@H]1CCC(C)(C)C1 129572065 490052367 /nfs/dbraw/zinc/05/23/67/490052367.db2.gz DGERDMLULBQRJK-NSHDSACASA-N 1 3 198.354 2.154 20 0 AEADHO CCC[NH2+]CCN[C@@H]1CCC(C)(C)C1 129571849 490052560 /nfs/dbraw/zinc/05/25/60/490052560.db2.gz DGERDMLULBQRJK-LLVKDONJSA-N 1 3 198.354 2.154 20 0 AEADHO CC(C)(C)CC[NH2+][C@H]1CCC[C@@H](N)C1 129953179 490053822 /nfs/dbraw/zinc/05/38/22/490053822.db2.gz KWSMHAMUWQWCHT-MNOVXSKESA-N 1 3 198.354 2.282 20 0 AEADHO CC(C)(C)CC[NH2+][C@H]1CCC[C@H](N)C1 129952722 490053837 /nfs/dbraw/zinc/05/38/37/490053837.db2.gz KWSMHAMUWQWCHT-QWRGUYRKSA-N 1 3 198.354 2.282 20 0 AEADHO CC(C)(C)CC[NH2+][C@H]1CCC[C@H]1CN 129980702 490053868 /nfs/dbraw/zinc/05/38/68/490053868.db2.gz BFJVVRVFRNDWCN-QWRGUYRKSA-N 1 3 198.354 2.140 20 0 AEADHO CC(C)(C)CC[NH2+]C[C@H]1CCCNC1 129986693 490053964 /nfs/dbraw/zinc/05/39/64/490053964.db2.gz OIUJHFSOAXLETF-NSHDSACASA-N 1 3 198.354 2.012 20 0 AEADHO CC(C)(C)CC[NH2+]C[C@@H]1CCCNC1 129986487 490053975 /nfs/dbraw/zinc/05/39/75/490053975.db2.gz OIUJHFSOAXLETF-LLVKDONJSA-N 1 3 198.354 2.012 20 0 AEADHO CC(C)(C)CC[NH2+][C@@H]1CCC[C@@H]1CN 129980042 490053984 /nfs/dbraw/zinc/05/39/84/490053984.db2.gz BFJVVRVFRNDWCN-GHMZBOCLSA-N 1 3 198.354 2.140 20 0 AEADHO CC(C)(C)CC[NH2+][C@H]1CCCNCC1 129968492 490054083 /nfs/dbraw/zinc/05/40/83/490054083.db2.gz NIIYSUIRDVTJIG-NSHDSACASA-N 1 3 198.354 2.154 20 0 AEADHO CC(C)(C)CC[NH2+][C@@H]1CCC[C@@H](N)C1 129952957 490054160 /nfs/dbraw/zinc/05/41/60/490054160.db2.gz KWSMHAMUWQWCHT-GHMZBOCLSA-N 1 3 198.354 2.282 20 0 AEADHO CC(C)(C)CC[NH2+][C@@H]1CCC[C@H]1CN 129980485 490054316 /nfs/dbraw/zinc/05/43/16/490054316.db2.gz BFJVVRVFRNDWCN-WDEREUQCSA-N 1 3 198.354 2.140 20 0 AEADHO CC(C)(C)CC[NH2+][C@@H]1CCC[C@H](N)C1 129952531 490054361 /nfs/dbraw/zinc/05/43/61/490054361.db2.gz KWSMHAMUWQWCHT-WDEREUQCSA-N 1 3 198.354 2.282 20 0 AEADHO CC(C)(C)CC[NH2+][C@H]1CCC[C@@H]1CN 129980290 490054367 /nfs/dbraw/zinc/05/43/67/490054367.db2.gz BFJVVRVFRNDWCN-MNOVXSKESA-N 1 3 198.354 2.140 20 0 AEADHO CC(C)(C)CC[NH2+][C@@H]1CCCNCC1 129968276 490054448 /nfs/dbraw/zinc/05/44/48/490054448.db2.gz NIIYSUIRDVTJIG-LLVKDONJSA-N 1 3 198.354 2.154 20 0 AEADHO CC[C@H](C)[NH2+][C@H]1CCN2CCC[C@@H]2C1 130200108 490055872 /nfs/dbraw/zinc/05/58/72/490055872.db2.gz MXXUZOCUTSFMDJ-SDDRHHMPSA-N 1 3 196.338 2.001 20 0 AEADHO CC[C@H](C)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 130199706 490055961 /nfs/dbraw/zinc/05/59/61/490055961.db2.gz MXXUZOCUTSFMDJ-QJPTWQEYSA-N 1 3 196.338 2.001 20 0 AEADHO CCC(CC)C[NH2+][C@H]1CCC[C@H](N)C1 130222282 490055974 /nfs/dbraw/zinc/05/59/74/490055974.db2.gz UXEIXNOVYUPIHJ-RYUDHWBXSA-N 1 3 198.354 2.282 20 0 AEADHO CCC(CC)C[NH2+][C@H]1CCC[C@@H](N)C1 130222690 490055995 /nfs/dbraw/zinc/05/59/95/490055995.db2.gz UXEIXNOVYUPIHJ-NEPJUHHUSA-N 1 3 198.354 2.282 20 0 AEADHO CCC(CC)C[NH2+][C@@H]1CCC[C@H](N)C1 130222072 490056014 /nfs/dbraw/zinc/05/60/14/490056014.db2.gz UXEIXNOVYUPIHJ-NWDGAFQWSA-N 1 3 198.354 2.282 20 0 AEADHO CCC(CC)C[NH2+][C@@H]1CCC[C@@H](N)C1 130222482 490056064 /nfs/dbraw/zinc/05/60/64/490056064.db2.gz UXEIXNOVYUPIHJ-VXGBXAGGSA-N 1 3 198.354 2.282 20 0 AEADHO CCCCC[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 141471769 490057018 /nfs/dbraw/zinc/05/70/18/490057018.db2.gz YHBAJZUIQJSCKJ-NEPJUHHUSA-N 1 3 198.354 2.093 20 0 AEADHO CCCCC[N@H+]1CC[C@@H](C)[C@@H](CN)C1 141471769 490057022 /nfs/dbraw/zinc/05/70/22/490057022.db2.gz YHBAJZUIQJSCKJ-NEPJUHHUSA-N 1 3 198.354 2.093 20 0 AEADHO CCCCC[N@@H+]1CC[C@H](C)[C@@H](CN)C1 141471968 490057058 /nfs/dbraw/zinc/05/70/58/490057058.db2.gz YHBAJZUIQJSCKJ-RYUDHWBXSA-N 1 3 198.354 2.093 20 0 AEADHO CCCCC[N@H+]1CC[C@H](C)[C@@H](CN)C1 141471968 490057061 /nfs/dbraw/zinc/05/70/61/490057061.db2.gz YHBAJZUIQJSCKJ-RYUDHWBXSA-N 1 3 198.354 2.093 20 0 AEADHO CC[NH+]1CCC(NCC=C(C)C)CC1 219358856 490072274 /nfs/dbraw/zinc/07/22/74/490072274.db2.gz LPAIQFANJHTSPM-UHFFFAOYSA-N 1 3 196.338 2.027 20 0 AEADHO CC1(C)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](N)C1 306249892 490118083 /nfs/dbraw/zinc/11/80/83/490118083.db2.gz WTFXQZJJRZMDPX-VWYCJHECSA-N 1 3 196.338 2.035 20 0 AEADHO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N)C1 306249890 490118196 /nfs/dbraw/zinc/11/81/96/490118196.db2.gz WTFXQZJJRZMDPX-MXWKQRLJSA-N 1 3 196.338 2.035 20 0 AEADHO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](N)C1 306249887 490118218 /nfs/dbraw/zinc/11/82/18/490118218.db2.gz WTFXQZJJRZMDPX-AXFHLTTASA-N 1 3 196.338 2.035 20 0 AEADHO CC1(C)CC[C@@H]1[NH2+][C@H]1CCC[C@H](N)C1 306249889 490118726 /nfs/dbraw/zinc/11/87/26/490118726.db2.gz WTFXQZJJRZMDPX-DCAQKATOSA-N 1 3 196.338 2.035 20 0 AEADHO CCC1(CC)CC[N@H+](CCCNC)C1 87252475 491030150 /nfs/dbraw/zinc/03/01/50/491030150.db2.gz VMSUTVIDYWJQSN-UHFFFAOYSA-N 1 3 198.354 2.108 20 0 AEADHO CCC1(CC)CC[N@@H+](CCCNC)C1 87252475 491030151 /nfs/dbraw/zinc/03/01/51/491030151.db2.gz VMSUTVIDYWJQSN-UHFFFAOYSA-N 1 3 198.354 2.108 20 0 AEADHO CCC1(CC)CCN(CCC[NH2+]C)C1 87252475 491030152 /nfs/dbraw/zinc/03/01/52/491030152.db2.gz VMSUTVIDYWJQSN-UHFFFAOYSA-N 1 3 198.354 2.108 20 0 AEADHO C[N@H+](CCCN)C1CCC(C)(C)CC1 87287319 491030302 /nfs/dbraw/zinc/03/03/02/491030302.db2.gz STWOFXZYJCSBLA-UHFFFAOYSA-N 1 3 198.354 2.236 20 0 AEADHO C[N@@H+](CCCN)C1CCC(C)(C)CC1 87287319 491030303 /nfs/dbraw/zinc/03/03/03/491030303.db2.gz STWOFXZYJCSBLA-UHFFFAOYSA-N 1 3 198.354 2.236 20 0 AEADHO CCC(CC)C[NH2+][C@H]1CCC[C@H]1CN 130250149 491033461 /nfs/dbraw/zinc/03/34/61/491033461.db2.gz VYFZBEQGARMKQV-RYUDHWBXSA-N 1 3 198.354 2.140 20 0 AEADHO CCC(CC)C[NH2+]C[C@H]1CCCNC1 130257260 491033465 /nfs/dbraw/zinc/03/34/65/491033465.db2.gz HZLCDUULGSGKFW-LBPRGKRZSA-N 1 3 198.354 2.012 20 0 AEADHO CCC(CC)C[NH2+][C@@H]1CCC[C@@H]1CN 130249507 491033468 /nfs/dbraw/zinc/03/34/68/491033468.db2.gz VYFZBEQGARMKQV-VXGBXAGGSA-N 1 3 198.354 2.140 20 0 AEADHO CCC(CC)C[NH2+][C@H]1CCCNCC1 130238676 491033470 /nfs/dbraw/zinc/03/34/70/491033470.db2.gz DBGSUROSYHRUCH-LBPRGKRZSA-N 1 3 198.354 2.154 20 0 AEADHO CCC(CC)C[NH2+][C@H]1CCC[C@@H]1CN 130249720 491033481 /nfs/dbraw/zinc/03/34/81/491033481.db2.gz VYFZBEQGARMKQV-NEPJUHHUSA-N 1 3 198.354 2.140 20 0 AEADHO CCC(CC)C[NH2+][C@@H]1CCCNCC1 130238464 491033490 /nfs/dbraw/zinc/03/34/90/491033490.db2.gz DBGSUROSYHRUCH-GFCCVEGCSA-N 1 3 198.354 2.154 20 0 AEADHO CCC(CC)C[NH2+]C[C@@H]1CCCNC1 130257057 491033496 /nfs/dbraw/zinc/03/34/96/491033496.db2.gz HZLCDUULGSGKFW-GFCCVEGCSA-N 1 3 198.354 2.012 20 0 AEADHO CCC(CC)C[NH2+][C@@H]1CCC[C@H]1CN 130249930 491033502 /nfs/dbraw/zinc/03/35/02/491033502.db2.gz VYFZBEQGARMKQV-NWDGAFQWSA-N 1 3 198.354 2.140 20 0 AEADHO CCC(CC)CNC[C@@H]1CCCC[NH2+]1 130440624 491033775 /nfs/dbraw/zinc/03/37/75/491033775.db2.gz JLMALIMXBYQQHW-LBPRGKRZSA-N 1 3 198.354 2.154 20 0 AEADHO CCC(CC)CNC[C@H]1CCCC[NH2+]1 130440803 491033800 /nfs/dbraw/zinc/03/38/00/491033800.db2.gz JLMALIMXBYQQHW-GFCCVEGCSA-N 1 3 198.354 2.154 20 0 AEADHO C[N@H+](CCCN)CCC1CCCCC1 133210770 491037407 /nfs/dbraw/zinc/03/74/07/491037407.db2.gz FOQCUEIDTHHQKU-UHFFFAOYSA-N 1 3 198.354 2.237 20 0 AEADHO C[N@@H+](CCCN)CCC1CCCCC1 133210770 491037408 /nfs/dbraw/zinc/03/74/08/491037408.db2.gz FOQCUEIDTHHQKU-UHFFFAOYSA-N 1 3 198.354 2.237 20 0 AEADHO CN(CCC[NH3+])CCC1CCCCC1 133210770 491037409 /nfs/dbraw/zinc/03/74/09/491037409.db2.gz FOQCUEIDTHHQKU-UHFFFAOYSA-N 1 3 198.354 2.237 20 0 AEADHO CC[C@H](C)C[N@@H+]1CC[C@H](N)[C@@H](CC)C1 157897398 491039840 /nfs/dbraw/zinc/03/98/40/491039840.db2.gz BYZODUDTWPPNSJ-SRVKXCTJSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@H](C)C[N@H+]1CC[C@H](N)[C@@H](CC)C1 157897398 491039841 /nfs/dbraw/zinc/03/98/41/491039841.db2.gz BYZODUDTWPPNSJ-SRVKXCTJSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@H](C)C[N@@H+]1CC[C@H](N)[C@H](CC)C1 157897256 491039859 /nfs/dbraw/zinc/03/98/59/491039859.db2.gz BYZODUDTWPPNSJ-TUAOUCFPSA-N 1 3 198.354 2.092 20 0 AEADHO CC[C@H](C)C[N@H+]1CC[C@H](N)[C@H](CC)C1 157897256 491039860 /nfs/dbraw/zinc/03/98/60/491039860.db2.gz BYZODUDTWPPNSJ-TUAOUCFPSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)CCC[NH2+]CCCNC1CC1 163443600 491040057 /nfs/dbraw/zinc/04/00/57/491040057.db2.gz JEKSASSOXWNYPT-UHFFFAOYSA-N 1 3 198.354 2.154 20 0 AEADHO CCCN(C)CCC[NH+]1CCCCC1 226232482 491042527 /nfs/dbraw/zinc/04/25/27/491042527.db2.gz ZECAFAPLHNRNHP-UHFFFAOYSA-N 1 3 198.354 2.204 20 0 AEADHO CCC(CC)C[N@@H+]1C[C@H](CN)C[C@H]1C 250779516 491045810 /nfs/dbraw/zinc/04/58/10/491045810.db2.gz RFPAQRWKDFZLJA-PWSUYJOCSA-N 1 3 198.354 2.092 20 0 AEADHO CCC(CC)C[N@H+]1C[C@H](CN)C[C@H]1C 250779516 491045811 /nfs/dbraw/zinc/04/58/11/491045811.db2.gz RFPAQRWKDFZLJA-PWSUYJOCSA-N 1 3 198.354 2.092 20 0 AEADHO CCC(CC)C[N@@H+]1C[C@@H](CN)C[C@H]1C 250779517 491045831 /nfs/dbraw/zinc/04/58/31/491045831.db2.gz RFPAQRWKDFZLJA-ZYHUDNBSSA-N 1 3 198.354 2.092 20 0 AEADHO CCC(CC)C[N@H+]1C[C@@H](CN)C[C@H]1C 250779517 491045832 /nfs/dbraw/zinc/04/58/32/491045832.db2.gz RFPAQRWKDFZLJA-ZYHUDNBSSA-N 1 3 198.354 2.092 20 0 AEADHO CCN(CC)CC[C@H]1CCCC[N@@H+]1C 308470220 491105948 /nfs/dbraw/zinc/10/59/48/491105948.db2.gz IHZZMODRDSMRPP-GFCCVEGCSA-N 1 3 198.354 2.203 20 0 AEADHO CCN(CC)CC[C@H]1CCCC[N@H+]1C 308470220 491105949 /nfs/dbraw/zinc/10/59/49/491105949.db2.gz IHZZMODRDSMRPP-GFCCVEGCSA-N 1 3 198.354 2.203 20 0 AEADHO CCN(CC)CC[C@@H]1CCCC[N@@H+]1C 308470221 491106062 /nfs/dbraw/zinc/10/60/62/491106062.db2.gz IHZZMODRDSMRPP-LBPRGKRZSA-N 1 3 198.354 2.203 20 0 AEADHO CCN(CC)CC[C@@H]1CCCC[N@H+]1C 308470221 491106063 /nfs/dbraw/zinc/10/60/63/491106063.db2.gz IHZZMODRDSMRPP-LBPRGKRZSA-N 1 3 198.354 2.203 20 0 AEADHO CCC(CC)[NH2+]CC1=CCN(C)CC1 308535711 491110855 /nfs/dbraw/zinc/11/08/55/491110855.db2.gz SNQKHXNCSBXKNG-UHFFFAOYSA-N 1 3 196.338 2.027 20 0 AEADHO CC(C)CCC[N@@H+]1CCC[C@@H](CN)C1 157732397 1188779761 /nfs/dbraw/zinc/77/97/61/1188779761.db2.gz DCKJLLMQBHCOHF-LBPRGKRZSA-N 1 3 198.354 2.093 20 0 AEADHO CC(C)CCC[N@H+]1CCC[C@@H](CN)C1 157732397 1188779763 /nfs/dbraw/zinc/77/97/63/1188779763.db2.gz DCKJLLMQBHCOHF-LBPRGKRZSA-N 1 3 198.354 2.093 20 0 AEADHO CC(C)CCC[N@@H+]1CCC[C@H](CN)C1 157732244 1188779793 /nfs/dbraw/zinc/77/97/93/1188779793.db2.gz DCKJLLMQBHCOHF-GFCCVEGCSA-N 1 3 198.354 2.093 20 0 AEADHO CC(C)CCC[N@H+]1CCC[C@H](CN)C1 157732244 1188779797 /nfs/dbraw/zinc/77/97/97/1188779797.db2.gz DCKJLLMQBHCOHF-GFCCVEGCSA-N 1 3 198.354 2.093 20 0 AEADHO CCC(CC)(CN)C[NH2+][C@H]1CC[C@@H]1C 393691066 1188821240 /nfs/dbraw/zinc/82/12/40/1188821240.db2.gz TWCRVCQPSNDZFE-QWRGUYRKSA-N 1 3 198.354 2.140 20 0 AEADHO CCC(CC)(CN)C[NH2+][C@@H]1CC[C@H]1C 393691062 1188821326 /nfs/dbraw/zinc/82/13/26/1188821326.db2.gz TWCRVCQPSNDZFE-GHMZBOCLSA-N 1 3 198.354 2.140 20 0 AEADHO CCC(CC)(CN)C[NH2+][C@H]1CC[C@H]1C 393691064 1188822026 /nfs/dbraw/zinc/82/20/26/1188822026.db2.gz TWCRVCQPSNDZFE-MNOVXSKESA-N 1 3 198.354 2.140 20 0 AEADHO CCC(CC)(CN)C[NH2+][C@@H]1CC[C@@H]1C 393691067 1188822194 /nfs/dbraw/zinc/82/21/94/1188822194.db2.gz TWCRVCQPSNDZFE-WDEREUQCSA-N 1 3 198.354 2.140 20 0 AEADHO CCCCN(C)C[C@@]1(C)CCC[NH2+]C1 62861704 697624589 /nfs/dbraw/zinc/62/45/89/697624589.db2.gz YCTQZRXYVNHGLO-LBPRGKRZSA-N 1 3 198.354 2.108 20 0 AEADHO CCCC[N@H+](C)C[C@@]1(C)CCCNC1 62861704 697624592 /nfs/dbraw/zinc/62/45/92/697624592.db2.gz YCTQZRXYVNHGLO-LBPRGKRZSA-N 1 3 198.354 2.108 20 0 AEADHO CCCC[N@@H+](C)C[C@@]1(C)CCCNC1 62861704 697624594 /nfs/dbraw/zinc/62/45/94/697624594.db2.gz YCTQZRXYVNHGLO-LBPRGKRZSA-N 1 3 198.354 2.108 20 0 AEADHO CCN(CC)CCC[NH2+][C@@H]1CC[C@@H]1C 379573680 697900176 /nfs/dbraw/zinc/90/01/76/697900176.db2.gz IUCQFOIPAPSGHZ-NWDGAFQWSA-N 1 3 198.354 2.106 20 0 AEADHO CCN(CC)CCC[NH2+][C@H]1CC[C@@H]1C 379573687 697900214 /nfs/dbraw/zinc/90/02/14/697900214.db2.gz IUCQFOIPAPSGHZ-RYUDHWBXSA-N 1 3 198.354 2.106 20 0 AEADHO CCN(CC)CCC[NH2+][C@H]1CC[C@H]1C 379573677 697900361 /nfs/dbraw/zinc/90/03/61/697900361.db2.gz IUCQFOIPAPSGHZ-NEPJUHHUSA-N 1 3 198.354 2.106 20 0 AEADHO CCN(CC)CCC[NH2+][C@@H]1CC[C@H]1C 379573688 697900399 /nfs/dbraw/zinc/90/03/99/697900399.db2.gz IUCQFOIPAPSGHZ-VXGBXAGGSA-N 1 3 198.354 2.106 20 0 AEADHO CC(C)N(C)CCC[NH2+][C@H]1CC[C@H]1C 389295362 698007791 /nfs/dbraw/zinc/00/77/91/698007791.db2.gz JUXYISXBMGGHDT-NEPJUHHUSA-N 1 3 198.354 2.105 20 0 AEADHO CC(C)N(C)CCC[NH2+][C@@H]1CC[C@@H]1C 389295363 698007820 /nfs/dbraw/zinc/00/78/20/698007820.db2.gz JUXYISXBMGGHDT-NWDGAFQWSA-N 1 3 198.354 2.105 20 0 AEADHO CC(C)N(C)CCC[NH2+][C@@H]1CC[C@H]1C 389295365 698007851 /nfs/dbraw/zinc/00/78/51/698007851.db2.gz JUXYISXBMGGHDT-VXGBXAGGSA-N 1 3 198.354 2.105 20 0 AEADHO CC(C)N(C)CCC[NH2+][C@H]1CC[C@@H]1C 389295364 698007930 /nfs/dbraw/zinc/00/79/30/698007930.db2.gz JUXYISXBMGGHDT-RYUDHWBXSA-N 1 3 198.354 2.105 20 0 AEADHO CCC(CC)(CC)C[NH2+]C1CC(N)C1 391106847 698012322 /nfs/dbraw/zinc/01/23/22/698012322.db2.gz AHCIRBXOCCDYMW-UHFFFAOYSA-N 1 3 198.354 2.282 20 0 AEADHO CC(C)=CCCN[C@H]1CCC[NH2+][C@@H]1C 397737918 698039449 /nfs/dbraw/zinc/03/94/49/698039449.db2.gz UJIMGXPZPBKWGS-NEPJUHHUSA-N 1 3 196.338 2.073 20 0 AEADHO CC(C)=CCCN[C@H]1CCC[NH2+][C@H]1C 397737924 698039473 /nfs/dbraw/zinc/03/94/73/698039473.db2.gz UJIMGXPZPBKWGS-RYUDHWBXSA-N 1 3 196.338 2.073 20 0 AEADHO CC(C)=CCCN[C@@H]1CCC[NH2+][C@@H]1C 397737927 698039625 /nfs/dbraw/zinc/03/96/25/698039625.db2.gz UJIMGXPZPBKWGS-VXGBXAGGSA-N 1 3 196.338 2.073 20 0 AEADHO CC(C)=CCCN[C@@H]1CCC[NH2+][C@H]1C 397737921 698039676 /nfs/dbraw/zinc/03/96/76/698039676.db2.gz UJIMGXPZPBKWGS-NWDGAFQWSA-N 1 3 196.338 2.073 20 0 AEADHO CCC(CC)C[N@H+]1CCC[C@@H](CN)C1 44527842 343266990 /nfs/dbraw/zinc/26/69/90/343266990.db2.gz KPPMOGKXPLJLKZ-LBPRGKRZSA-N 1 3 198.354 2.093 20 0 AEADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CCCC1 84215417 343632334 /nfs/dbraw/zinc/63/23/34/343632334.db2.gz RTUFAYPAELAHGF-CMPLNLGQSA-N 1 3 196.338 2.036 20 0 AEADHO NC[C@H]1CCC[C@H]1[NH2+]C1CCCCC1 84217295 343632359 /nfs/dbraw/zinc/63/23/59/343632359.db2.gz PTJZOYUTSWWNMD-ZYHUDNBSSA-N 1 3 196.338 2.036 20 0 AEADHO N[C@@H]1CCC[C@@H]([NH2+]C2CCCCC2)C1 86401592 343651539 /nfs/dbraw/zinc/65/15/39/343651539.db2.gz HIIJVSQNBSSTIT-ZYHUDNBSSA-N 1 3 196.338 2.179 20 0 AEADHO C1CCC(NC[C@@H]2CCCC[NH2+]2)CC1 40397692 166088033 /nfs/dbraw/zinc/08/80/33/166088033.db2.gz KJFCVLRGZNXXPC-LBPRGKRZSA-N 1 3 196.338 2.051 20 0 AEADHO C1CCC(NC[C@H]2CCCC[NH2+]2)CC1 40397694 166088049 /nfs/dbraw/zinc/08/80/49/166088049.db2.gz KJFCVLRGZNXXPC-GFCCVEGCSA-N 1 3 196.338 2.051 20 0 AEADHO C1CCCC([NH2+]C[C@H]2CCCN2)CC1 40397402 166089702 /nfs/dbraw/zinc/08/97/02/166089702.db2.gz BPFQTJPBCKOZEA-GFCCVEGCSA-N 1 3 196.338 2.051 20 0 AEADHO C1CCCC([NH2+]C[C@@H]2CCCN2)CC1 40397400 166090360 /nfs/dbraw/zinc/09/03/60/166090360.db2.gz BPFQTJPBCKOZEA-LBPRGKRZSA-N 1 3 196.338 2.051 20 0 AEADHO CC(C)(C)CC(C)(C)[NH2+]CCCN 41620045 166350011 /nfs/dbraw/zinc/35/00/11/166350011.db2.gz KPHYVBAAKKFLDS-UHFFFAOYSA-N 1 3 186.343 2.140 20 0 AEADHO CC(C)(C)CC[N@@H+]1CCC[C@H](CN)C1 49254904 166351895 /nfs/dbraw/zinc/35/18/95/166351895.db2.gz GOCBILSQIDFALX-LLVKDONJSA-N 1 3 198.354 2.093 20 0 AEADHO CC(C)(C)CC[N@H+]1CCC[C@H](CN)C1 49254904 166351896 /nfs/dbraw/zinc/35/18/96/166351896.db2.gz GOCBILSQIDFALX-LLVKDONJSA-N 1 3 198.354 2.093 20 0 AEADHO CC(C)(C)CC[N@@H+]1CCC[C@@H](CN)C1 49254907 166351935 /nfs/dbraw/zinc/35/19/35/166351935.db2.gz GOCBILSQIDFALX-NSHDSACASA-N 1 3 198.354 2.093 20 0 AEADHO CC(C)(C)CC[N@H+]1CCC[C@@H](CN)C1 49254907 166351936 /nfs/dbraw/zinc/35/19/36/166351936.db2.gz GOCBILSQIDFALX-NSHDSACASA-N 1 3 198.354 2.093 20 0 AEADHO CC(C)(C)C[NH2+]CCCN1CCCC1 41051165 166354428 /nfs/dbraw/zinc/35/44/28/166354428.db2.gz CRBTWATWVMUCMD-UHFFFAOYSA-N 1 3 198.354 2.108 20 0 AEADHO CC(C)(C)C[C@H](CN)[C@@H]1CCCC[NH2+]1 68590997 166355923 /nfs/dbraw/zinc/35/59/23/166355923.db2.gz NFNRHHBHQWDYFE-MNOVXSKESA-N 1 3 198.354 2.140 20 0 AEADHO CC(C)(C)C[C@@H](CN)[C@@H]1CCCC[NH2+]1 68590992 166356077 /nfs/dbraw/zinc/35/60/77/166356077.db2.gz NFNRHHBHQWDYFE-QWRGUYRKSA-N 1 3 198.354 2.140 20 0 AEADHO CC(C)(C)C[C@@H](CN)[C@H]1CCCC[NH2+]1 68591002 166356966 /nfs/dbraw/zinc/35/69/66/166356966.db2.gz NFNRHHBHQWDYFE-WDEREUQCSA-N 1 3 198.354 2.140 20 0 AEADHO CC(C)(C)C[C@H](CN)[C@H]1CCCC[NH2+]1 68591004 166357304 /nfs/dbraw/zinc/35/73/04/166357304.db2.gz NFNRHHBHQWDYFE-GHMZBOCLSA-N 1 3 198.354 2.140 20 0 AEADHO CC(C)(C)[NH+]1CCC(NC2CC2)CC1 73653586 166359948 /nfs/dbraw/zinc/35/99/48/166359948.db2.gz XFLQAAUFAJGMRF-UHFFFAOYSA-N 1 3 196.338 2.001 20 0 AEADHO CC(C)(C)[NH2+][C@@H]1CCN2CCC[C@H]2C1 334308412 166364758 /nfs/dbraw/zinc/36/47/58/166364758.db2.gz KNJNKKYSNJBROG-MNOVXSKESA-N 1 3 196.338 2.001 20 0 AEADHO CC(C)(C)[NH2+][C@H]1CCN2CCC[C@@H]2C1 334308423 166365296 /nfs/dbraw/zinc/36/52/96/166365296.db2.gz KNJNKKYSNJBROG-WDEREUQCSA-N 1 3 196.338 2.001 20 0 AEADHO CC(C)(C)[NH2+][C@H]1CCN2CCC[C@H]2C1 334308415 166365750 /nfs/dbraw/zinc/36/57/50/166365750.db2.gz KNJNKKYSNJBROG-QWRGUYRKSA-N 1 3 196.338 2.001 20 0 AEADHO CC(C)(C)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 334308411 166366147 /nfs/dbraw/zinc/36/61/47/166366147.db2.gz KNJNKKYSNJBROG-GHMZBOCLSA-N 1 3 196.338 2.001 20 0 AEADHO CCC[NH2+]C1CCN(C(C)(C)C)CC1 37240241 166985477 /nfs/dbraw/zinc/98/54/77/166985477.db2.gz GZGFUIUAJSVWAX-UHFFFAOYSA-N 1 3 198.354 2.249 20 0 AEADHO CCN(CC)CCC[NH2+][C@@H](C)C1CC1 19942965 167165385 /nfs/dbraw/zinc/16/53/85/167165385.db2.gz NVXIYZMFBAVMBA-NSHDSACASA-N 1 3 198.354 2.106 20 0 AEADHO CCN(CC)CCC[NH2+][C@H](C)C1CC1 19942969 167166037 /nfs/dbraw/zinc/16/60/37/167166037.db2.gz NVXIYZMFBAVMBA-LLVKDONJSA-N 1 3 198.354 2.106 20 0 AEADHO CC[N@H+](CCCNC)C1CCCCC1 42409244 167178856 /nfs/dbraw/zinc/17/88/56/167178856.db2.gz RDCSZXUKBMGBKI-UHFFFAOYSA-N 1 3 198.354 2.251 20 0 AEADHO CC[N@@H+](CCCNC)C1CCCCC1 42409244 167178859 /nfs/dbraw/zinc/17/88/59/167178859.db2.gz RDCSZXUKBMGBKI-UHFFFAOYSA-N 1 3 198.354 2.251 20 0 AEADHO CC[NH2+]C1CCN(C[C@H](C)CC)CC1 50423186 167257621 /nfs/dbraw/zinc/25/76/21/167257621.db2.gz DQKVUJZKSLJIHI-LLVKDONJSA-N 1 3 198.354 2.106 20 0 AEADHO CCNC1CC[NH+](C[C@H](C)CC)CC1 50423186 167257626 /nfs/dbraw/zinc/25/76/26/167257626.db2.gz DQKVUJZKSLJIHI-LLVKDONJSA-N 1 3 198.354 2.106 20 0 AEADHO CC[NH2+]C1CCN(C[C@@H](C)CC)CC1 50423188 167259026 /nfs/dbraw/zinc/25/90/26/167259026.db2.gz DQKVUJZKSLJIHI-NSHDSACASA-N 1 3 198.354 2.106 20 0 AEADHO CCNC1CC[NH+](C[C@@H](C)CC)CC1 50423188 167259028 /nfs/dbraw/zinc/25/90/28/167259028.db2.gz DQKVUJZKSLJIHI-NSHDSACASA-N 1 3 198.354 2.106 20 0 AEADHO CNC[C@@H]1CCC[N@@H+]1CCC(C)(C)C 42390556 168007581 /nfs/dbraw/zinc/00/75/81/168007581.db2.gz SECFBBPABRSZDV-NSHDSACASA-N 1 3 198.354 2.106 20 0 AEADHO CNC[C@@H]1CCC[N@H+]1CCC(C)(C)C 42390556 168007582 /nfs/dbraw/zinc/00/75/82/168007582.db2.gz SECFBBPABRSZDV-NSHDSACASA-N 1 3 198.354 2.106 20 0 AEADHO CNC[C@H]1CCC[N@@H+]1CCC(C)(C)C 42390552 168013329 /nfs/dbraw/zinc/01/33/29/168013329.db2.gz SECFBBPABRSZDV-LLVKDONJSA-N 1 3 198.354 2.106 20 0 AEADHO CNC[C@H]1CCC[N@H+]1CCC(C)(C)C 42390552 168013331 /nfs/dbraw/zinc/01/33/31/168013331.db2.gz SECFBBPABRSZDV-LLVKDONJSA-N 1 3 198.354 2.106 20 0 AEADHO C[C@@H]([NH2+]C1CCCCC1)[C@H]1CCCN1 307186364 168378338 /nfs/dbraw/zinc/37/83/38/168378338.db2.gz UMABUVGLMWRSBA-ZYHUDNBSSA-N 1 3 196.338 2.049 20 0 AEADHO C[C@@H]([NH2+]CC(C)(C)N)c1ccccc1 84453548 168378822 /nfs/dbraw/zinc/37/88/22/168378822.db2.gz IYMMHZQNNLOTMO-SNVBAGLBSA-N 1 3 192.306 2.075 20 0 AEADHO C[C@@H](NC1CCCC1)[C@H]1CCCC[NH2+]1 307302851 168379682 /nfs/dbraw/zinc/37/96/82/168379682.db2.gz ZMCZFWVKMLJUBG-ZYHUDNBSSA-N 1 3 196.338 2.049 20 0 AEADHO C[C@@H]([NH2+]C1CCCCC1)[C@@H]1CCCN1 307186363 168379801 /nfs/dbraw/zinc/37/98/01/168379801.db2.gz UMABUVGLMWRSBA-PWSUYJOCSA-N 1 3 196.338 2.049 20 0 AEADHO C[C@@H](NC1CCCC1)[C@@H]1CCCC[NH2+]1 307302848 168379841 /nfs/dbraw/zinc/37/98/41/168379841.db2.gz ZMCZFWVKMLJUBG-PWSUYJOCSA-N 1 3 196.338 2.049 20 0 AEADHO NCCC[N@@H+]1CCCC12CCCCC2 334836354 169182816 /nfs/dbraw/zinc/18/28/16/169182816.db2.gz GIIXJRWADCVWMC-UHFFFAOYSA-N 1 3 196.338 2.134 20 0 AEADHO NCCC[N@H+]1CCCC12CCCCC2 334836354 169182817 /nfs/dbraw/zinc/18/28/17/169182817.db2.gz GIIXJRWADCVWMC-UHFFFAOYSA-N 1 3 196.338 2.134 20 0 AEADHO C[C@H](C[NH+]1CCC(N)CC1)C(C)(C)C 162969802 344217213 /nfs/dbraw/zinc/21/72/13/344217213.db2.gz QCRUCEHMWQRNJF-SNVBAGLBSA-N 1 3 198.354 2.092 20 0 AEADHO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N)C1 223010017 344456216 /nfs/dbraw/zinc/45/62/16/344456216.db2.gz WLXNIEBWEPQLNJ-KKOKHZNYSA-N 1 3 196.338 2.035 20 0 AEADHO C[C@@H]1C[C@H]([NH2+]C2CCCCC2)CCN1 235451353 344750463 /nfs/dbraw/zinc/75/04/63/344750463.db2.gz OQTNLWHFIBNYPV-ZYHUDNBSSA-N 1 3 196.338 2.049 20 0 AEADHO C[C@H](NC1CCCC1)[C@@H]1CCCC[NH2+]1 307302846 345957261 /nfs/dbraw/zinc/95/72/61/345957261.db2.gz ZMCZFWVKMLJUBG-JQWIXIFHSA-N 1 3 196.338 2.049 20 0 AEADHO CCCN1CC[C@H](C[NH+](CC)CC)C1 608507926 347009791 /nfs/dbraw/zinc/00/97/91/347009791.db2.gz LALVTIQIPFHOEL-GFCCVEGCSA-N 1 3 198.354 2.060 20 0 AEADHO C[C@H](N)CC[NH2+][C@H]1CC(C)(C)C[C@H]1C 622044534 347236641 /nfs/dbraw/zinc/23/66/41/347236641.db2.gz JLWNZRRLSRREKX-VWYCJHECSA-N 1 3 198.354 2.138 20 0 AEADHO C[C@H](N)CC[NH2+][C@H]1CCCC12CCC2 622044665 347236714 /nfs/dbraw/zinc/23/67/14/347236714.db2.gz OQMHJCQAHLCQFZ-QWRGUYRKSA-N 1 3 196.338 2.036 20 0 AEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC(C)(C)C 335426459 352098144 /nfs/dbraw/zinc/09/81/44/352098144.db2.gz WFWOFJOZLUZALD-GHMZBOCLSA-N 1 3 198.354 2.010 20 0 AEADHO CCC[C@@H](CC)[NH2+][C@H](C)[C@H]1CCCN1 643468667 352957901 /nfs/dbraw/zinc/95/79/01/352957901.db2.gz HFHPFOOQSRMMCU-IJLUTSLNSA-N 1 3 198.354 2.295 20 0 AEADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1(C)CCCC1 643469044 352958026 /nfs/dbraw/zinc/95/80/26/352958026.db2.gz JNSIGXINVMOVLA-GHMZBOCLSA-N 1 3 198.354 2.282 20 0 AEADHO C[C@@H](C[C@@H](C)N)[NH2+]CC1(C)CCCC1 643469045 352958052 /nfs/dbraw/zinc/95/80/52/352958052.db2.gz JNSIGXINVMOVLA-MNOVXSKESA-N 1 3 198.354 2.282 20 0 AEADHO C[C@@H](N)C[C@@H](C)[NH2+][C@H]1CC[C@H](C)CC1 643469021 352958268 /nfs/dbraw/zinc/95/82/68/352958268.db2.gz CHQYOGPXAUHARA-DDHJBXDOSA-N 1 3 198.354 2.281 20 0 AEADHO CCC(C)(C)C[NH2+][C@H](C)C[C@@H](C)N 643485175 352962767 /nfs/dbraw/zinc/96/27/67/352962767.db2.gz OMHLTWORMYYWOU-NXEZZACHSA-N 1 3 186.343 2.138 20 0 AEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1CCC[C@@H]1C 643487872 352963661 /nfs/dbraw/zinc/96/36/61/352963661.db2.gz SZWKXPCKVWDQBH-FIQHERPVSA-N 1 3 198.354 2.138 20 0 AEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CC[C@@H](C)C1 643487021 352963669 /nfs/dbraw/zinc/96/36/69/352963669.db2.gz WRZVHVVCRDCJFD-NOOOWODRSA-N 1 3 198.354 2.138 20 0 AEADHO CNCCC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C 643498596 352971932 /nfs/dbraw/zinc/97/19/32/352971932.db2.gz JGFHSVMRSWEYTD-GRYCIOLGSA-N 1 3 198.354 2.010 20 0 AEADHO CC[C@@H]([NH2+]CCCNC)C1CCCC1 643498562 352971940 /nfs/dbraw/zinc/97/19/40/352971940.db2.gz CBDHUDSHNXQBOT-GFCCVEGCSA-N 1 3 198.354 2.154 20 0 AEADHO CC[C@@H]1CCCC[C@@H]1[NH2+]CCCNC 643498488 352971954 /nfs/dbraw/zinc/97/19/54/352971954.db2.gz JQAJYRHZAISRAD-NEPJUHHUSA-N 1 3 198.354 2.154 20 0 AEADHO CNCCC[NH2+][C@H](C)CCC=C(C)C 643498380 352971976 /nfs/dbraw/zinc/97/19/76/352971976.db2.gz NZPKEKPNVUNASW-GFCCVEGCSA-N 1 3 198.354 2.320 20 0 AEADHO CNCCC[NH2+][C@@H](C)CCC=C(C)C 643498381 352971978 /nfs/dbraw/zinc/97/19/78/352971978.db2.gz NZPKEKPNVUNASW-LBPRGKRZSA-N 1 3 198.354 2.320 20 0 AEADHO CC[C@H]1CCCC[C@H]1[NH2+]CCCNC 643498489 352971980 /nfs/dbraw/zinc/97/19/80/352971980.db2.gz JQAJYRHZAISRAD-NWDGAFQWSA-N 1 3 198.354 2.154 20 0 AEADHO CCC[C@@H]([NH2+]CCCNC)C1CCC1 643498606 352971988 /nfs/dbraw/zinc/97/19/88/352971988.db2.gz LBYFTEUGSKMHHX-GFCCVEGCSA-N 1 3 198.354 2.154 20 0 AEADHO CC[NH2+]CCN[C@H](CC)C1CCCC1 643505509 352977853 /nfs/dbraw/zinc/97/78/53/352977853.db2.gz WULHDUWROCLCDA-GFCCVEGCSA-N 1 3 198.354 2.154 20 0 AEADHO CCC[NH2+]CCN[C@H](CC)[C@H]1C[C@H]1C 643515134 352986464 /nfs/dbraw/zinc/98/64/64/352986464.db2.gz HMCHWMRENNORNT-GRYCIOLGSA-N 1 3 198.354 2.010 20 0 AEADHO CC(C)[NH2+]C1CC(C)(C)NC(C)(C)C1 20143345 343068216 /nfs/dbraw/zinc/06/82/16/343068216.db2.gz HXSQEBMGGRYTEY-UHFFFAOYSA-N 1 3 198.354 2.294 20 0 AEADHO CCCC(CCC)[NH2+]C1CCNCC1 32593156 343102686 /nfs/dbraw/zinc/10/26/86/343102686.db2.gz YNWAWZIVIUXKOA-UHFFFAOYSA-N 1 3 198.354 2.297 20 0 AEADHO C[C@H](N)CC[NH2+]C1CCCCCC1 40397496 343217315 /nfs/dbraw/zinc/21/73/15/343217315.db2.gz XNTOWDPJMWPNKL-JTQLQIEISA-N 1 3 184.327 2.036 20 0 AEADHO CCN(CC)CCC[NH+]1CCCCC1 41209523 343232600 /nfs/dbraw/zinc/23/26/00/343232600.db2.gz CCTNMEGXUMVEOV-UHFFFAOYSA-N 1 3 198.354 2.204 20 0 AEADHO CCC(CC)C[N@@H+]1CCC[C@@H](CN)C1 44527842 343266987 /nfs/dbraw/zinc/26/69/87/343266987.db2.gz KPPMOGKXPLJLKZ-LBPRGKRZSA-N 1 3 198.354 2.093 20 0 AEADHO CCC(CC)C[N@@H+]1CCC[C@H](CN)C1 44527841 343267085 /nfs/dbraw/zinc/26/70/85/343267085.db2.gz KPPMOGKXPLJLKZ-GFCCVEGCSA-N 1 3 198.354 2.093 20 0 AEADHO CCC(CC)C[N@H+]1CCC[C@H](CN)C1 44527841 343267088 /nfs/dbraw/zinc/26/70/88/343267088.db2.gz KPPMOGKXPLJLKZ-GFCCVEGCSA-N 1 3 198.354 2.093 20 0 AEADHO CCCCCN(C)CC(C)(C)C[NH3+] 51216035 343289545 /nfs/dbraw/zinc/28/95/45/343289545.db2.gz YOZWEKMQRZHNBJ-UHFFFAOYSA-N 1 3 186.343 2.093 20 0 AEADHO CC[C@H](C)C[C@@H](CN)[C@@H]1CCCC[NH2+]1 68590960 343412178 /nfs/dbraw/zinc/41/21/78/343412178.db2.gz XPBPZMFLTQXTQK-SRVKXCTJSA-N 1 3 198.354 2.140 20 0 AEADHO CC[C@H](C)C[C@H](CN)[C@@H]1CCCC[NH2+]1 68590966 343412193 /nfs/dbraw/zinc/41/21/93/343412193.db2.gz XPBPZMFLTQXTQK-TUAOUCFPSA-N 1 3 198.354 2.140 20 0 AEADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CCCC1 84215415 343632018 /nfs/dbraw/zinc/63/20/18/343632018.db2.gz RTUFAYPAELAHGF-PWSUYJOCSA-N 1 3 196.338 2.036 20 0 AEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCCC1 84215419 343632228 /nfs/dbraw/zinc/63/22/28/343632228.db2.gz RTUFAYPAELAHGF-JQWIXIFHSA-N 1 3 196.338 2.036 20 0 AEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CCCCC1 84217303 343632261 /nfs/dbraw/zinc/63/22/61/343632261.db2.gz PTJZOYUTSWWNMD-JQWIXIFHSA-N 1 3 196.338 2.036 20 0 AEADHO C[C@H]([NH2+]CC(C)(C)N)c1ccccc1 84453545 343637506 /nfs/dbraw/zinc/63/75/06/343637506.db2.gz IYMMHZQNNLOTMO-JTQLQIEISA-N 1 3 192.306 2.075 20 0 AEADHO N[C@H]1CCC[C@@H]([NH2+]C2CCCCC2)C1 86401586 343651305 /nfs/dbraw/zinc/65/13/05/343651305.db2.gz HIIJVSQNBSSTIT-CMPLNLGQSA-N 1 3 196.338 2.179 20 0 AEADHO N[C@@H]1CCC[C@H]([NH2+]C2CCCCC2)C1 86401594 343651551 /nfs/dbraw/zinc/65/15/51/343651551.db2.gz HIIJVSQNBSSTIT-PWSUYJOCSA-N 1 3 196.338 2.179 20 0 AEADHO N[C@H]1CCC[C@H]([NH2+]C2CCCCC2)C1 86401589 343651561 /nfs/dbraw/zinc/65/15/61/343651561.db2.gz HIIJVSQNBSSTIT-JQWIXIFHSA-N 1 3 196.338 2.179 20 0 AEADHO CC1CC(NCC2([NH3+])CCCCC2)C1 123588664 343784616 /nfs/dbraw/zinc/78/46/16/343784616.db2.gz MSSZNSHRTLHMPW-UHFFFAOYSA-N 1 3 196.338 2.036 20 0 AEADHO C1CCC([NH2+][C@H]2CCCNCC2)CC1 160655263 344173128 /nfs/dbraw/zinc/17/31/28/344173128.db2.gz KBHMIJATDFNUBE-LBPRGKRZSA-N 1 3 196.338 2.051 20 0 AEADHO C1CCC([NH2+][C@@H]2CCCNCC2)CC1 160655143 344173338 /nfs/dbraw/zinc/17/33/38/344173338.db2.gz KBHMIJATDFNUBE-GFCCVEGCSA-N 1 3 196.338 2.051 20 0 AEADHO C[C@@H](C[NH+]1CCC(N)CC1)C(C)(C)C 162969694 344217145 /nfs/dbraw/zinc/21/71/45/344217145.db2.gz QCRUCEHMWQRNJF-JTQLQIEISA-N 1 3 198.354 2.092 20 0 AEADHO C[C@@H](CN1CCC([NH3+])CC1)C(C)(C)C 162969694 344217147 /nfs/dbraw/zinc/21/71/47/344217147.db2.gz QCRUCEHMWQRNJF-JTQLQIEISA-N 1 3 198.354 2.092 20 0 AEADHO C[C@H](CN1CCC([NH3+])CC1)C(C)(C)C 162969802 344217215 /nfs/dbraw/zinc/21/72/15/344217215.db2.gz QCRUCEHMWQRNJF-SNVBAGLBSA-N 1 3 198.354 2.092 20 0 AEADHO CCCN[C@@H]1C[C@H]([NH3+])c2ccccc21 169229095 344348949 /nfs/dbraw/zinc/34/89/49/344348949.db2.gz SUXBOEQFTHWDGT-NWDGAFQWSA-N 1 3 190.290 2.131 20 0 AEADHO CCCN[C@H]1C[C@H]([NH3+])c2ccccc21 169229161 344349226 /nfs/dbraw/zinc/34/92/26/344349226.db2.gz SUXBOEQFTHWDGT-RYUDHWBXSA-N 1 3 190.290 2.131 20 0 AEADHO CCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 169229234 344349594 /nfs/dbraw/zinc/34/95/94/344349594.db2.gz SUXBOEQFTHWDGT-VXGBXAGGSA-N 1 3 190.290 2.131 20 0 AEADHO CCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 169229303 344349604 /nfs/dbraw/zinc/34/96/04/344349604.db2.gz SUXBOEQFTHWDGT-NEPJUHHUSA-N 1 3 190.290 2.131 20 0 AEADHO C[C@@H]1C[C@@H]([NH2+]C2CCCCC2)CCN1 235407587 344748357 /nfs/dbraw/zinc/74/83/57/344748357.db2.gz OQTNLWHFIBNYPV-PWSUYJOCSA-N 1 3 196.338 2.049 20 0 AEADHO CC(C)=CCN[C@H]1CC[N@H+](C)[C@@H](C)C1 235592597 344757760 /nfs/dbraw/zinc/75/77/60/344757760.db2.gz GPLITJMHKDRWEL-RYUDHWBXSA-N 1 3 196.338 2.025 20 0 AEADHO CC(C)=CCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 235592597 344757762 /nfs/dbraw/zinc/75/77/62/344757762.db2.gz GPLITJMHKDRWEL-RYUDHWBXSA-N 1 3 196.338 2.025 20 0 AEADHO CC(C)=CCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 235613344 344759616 /nfs/dbraw/zinc/75/96/16/344759616.db2.gz GPLITJMHKDRWEL-NWDGAFQWSA-N 1 3 196.338 2.025 20 0 AEADHO CC(C)=CCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 235613344 344759617 /nfs/dbraw/zinc/75/96/17/344759617.db2.gz GPLITJMHKDRWEL-NWDGAFQWSA-N 1 3 196.338 2.025 20 0 AEADHO C[C@H]1C[C@@H]([NH2+]C2CCCCC2)CCN1 235693296 344763517 /nfs/dbraw/zinc/76/35/17/344763517.db2.gz OQTNLWHFIBNYPV-JQWIXIFHSA-N 1 3 196.338 2.049 20 0 AEADHO C[C@H]1C[C@H]([NH2+]C2CCCCC2)CCN1 235734124 344764793 /nfs/dbraw/zinc/76/47/93/344764793.db2.gz OQTNLWHFIBNYPV-CMPLNLGQSA-N 1 3 196.338 2.049 20 0 AEADHO C[C@H]1C[N@H+](CCC(C)(C)C)CC[C@H]1N 251592696 344860179 /nfs/dbraw/zinc/86/01/79/344860179.db2.gz CUYBOYVZFXKACL-WDEREUQCSA-N 1 3 198.354 2.092 20 0 AEADHO C[C@H]1C[N@@H+](CCC(C)(C)C)CC[C@H]1N 251592696 344860180 /nfs/dbraw/zinc/86/01/80/344860180.db2.gz CUYBOYVZFXKACL-WDEREUQCSA-N 1 3 198.354 2.092 20 0 AEADHO C[C@H]1CN(CCC(C)(C)C)CC[C@H]1[NH3+] 251592696 344860181 /nfs/dbraw/zinc/86/01/81/344860181.db2.gz CUYBOYVZFXKACL-WDEREUQCSA-N 1 3 198.354 2.092 20 0 AEADHO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](N)C1 252211598 344892596 /nfs/dbraw/zinc/89/25/96/344892596.db2.gz WLXNIEBWEPQLNJ-WYUUTHIRSA-N 1 3 196.338 2.035 20 0 AEADHO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H](N)C1 252211597 344892676 /nfs/dbraw/zinc/89/26/76/344892676.db2.gz WLXNIEBWEPQLNJ-RHYQMDGZSA-N 1 3 196.338 2.035 20 0 AEADHO C[C@H]([NH3+])CCN[C@H](C)c1ccccc1 258666512 344945124 /nfs/dbraw/zinc/94/51/24/344945124.db2.gz HHYKNZYFMPRHNA-WDEREUQCSA-N 1 3 192.306 2.075 20 0 AEADHO C[C@H]([NH3+])CCN[C@@H](C)c1ccccc1 258666510 344945129 /nfs/dbraw/zinc/94/51/29/344945129.db2.gz HHYKNZYFMPRHNA-QWRGUYRKSA-N 1 3 192.306 2.075 20 0 AEADHO C[C@H]([NH2+]C1CCCCC1)[C@@H]1CCCN1 307186362 345874253 /nfs/dbraw/zinc/87/42/53/345874253.db2.gz UMABUVGLMWRSBA-JQWIXIFHSA-N 1 3 196.338 2.049 20 0 AEADHO C[C@H]([NH2+]C1CCCCC1)[C@H]1CCCN1 307186361 345874473 /nfs/dbraw/zinc/87/44/73/345874473.db2.gz UMABUVGLMWRSBA-CMPLNLGQSA-N 1 3 196.338 2.049 20 0 AEADHO C[C@H](NC1CCCC1)[C@H]1CCCC[NH2+]1 307302843 345957068 /nfs/dbraw/zinc/95/70/68/345957068.db2.gz ZMCZFWVKMLJUBG-CMPLNLGQSA-N 1 3 196.338 2.049 20 0 AEADHO CCCN(C)CCC[NH+](CC)CC 308423300 346301118 /nfs/dbraw/zinc/30/11/18/346301118.db2.gz PPMPCAYICHAWAL-UHFFFAOYSA-N 1 3 186.343 2.060 20 0 AEADHO CCC[N@H+](C)CCCN(CC)CC 308423300 346301121 /nfs/dbraw/zinc/30/11/21/346301121.db2.gz PPMPCAYICHAWAL-UHFFFAOYSA-N 1 3 186.343 2.060 20 0 AEADHO CCC[N@@H+](C)CCCN(CC)CC 308423300 346301123 /nfs/dbraw/zinc/30/11/23/346301123.db2.gz PPMPCAYICHAWAL-UHFFFAOYSA-N 1 3 186.343 2.060 20 0 AEADHO CC[C@H](C)[N@@H+]1CCC[C@H](N(C)C)CC1 334440911 346347418 /nfs/dbraw/zinc/34/74/18/346347418.db2.gz YMJBZMBAUVAJLE-RYUDHWBXSA-N 1 3 198.354 2.201 20 0 AEADHO CC[C@H](C)[N@H+]1CCC[C@H](N(C)C)CC1 334440911 346347421 /nfs/dbraw/zinc/34/74/21/346347421.db2.gz YMJBZMBAUVAJLE-RYUDHWBXSA-N 1 3 198.354 2.201 20 0 AEADHO CC[C@H](C)[N@@H+]1CCC[C@@H](N(C)C)CC1 334440910 346347736 /nfs/dbraw/zinc/34/77/36/346347736.db2.gz YMJBZMBAUVAJLE-NWDGAFQWSA-N 1 3 198.354 2.201 20 0 AEADHO CC[C@H](C)[N@H+]1CCC[C@@H](N(C)C)CC1 334440910 346347737 /nfs/dbraw/zinc/34/77/37/346347737.db2.gz YMJBZMBAUVAJLE-NWDGAFQWSA-N 1 3 198.354 2.201 20 0 AEADHO CC(C)NCC1([NH3+])CCCCCC1 334837397 346366719 /nfs/dbraw/zinc/36/67/19/346366719.db2.gz LMLRGZWCWJRYEH-UHFFFAOYSA-N 1 3 184.327 2.036 20 0 AEADHO C[C@H]1CCNCC[C@H]1[NH2+]CC(C)(C)C 335426462 346395876 /nfs/dbraw/zinc/39/58/76/346395876.db2.gz WFWOFJOZLUZALD-WDEREUQCSA-N 1 3 198.354 2.010 20 0 AEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)C 335426461 346396037 /nfs/dbraw/zinc/39/60/37/346396037.db2.gz WFWOFJOZLUZALD-QWRGUYRKSA-N 1 3 198.354 2.010 20 0 AEADHO CC(C)C[C@H](C)CN1C[C@@H]([NH3+])C[C@H]1C 385162080 346542148 /nfs/dbraw/zinc/54/21/48/346542148.db2.gz BTJYKMJLFFLRKN-TUAOUCFPSA-N 1 3 198.354 2.090 20 0 AEADHO CC(C)C[C@H](C)CN1C[C@H]([NH3+])C[C@@H]1C 385162078 346542207 /nfs/dbraw/zinc/54/22/07/346542207.db2.gz BTJYKMJLFFLRKN-SDDRHHMPSA-N 1 3 198.354 2.090 20 0 AEADHO CC(C)C[C@H](C)CN1C[C@H]([NH3+])C[C@H]1C 385162077 346542606 /nfs/dbraw/zinc/54/26/06/346542606.db2.gz BTJYKMJLFFLRKN-QJPTWQEYSA-N 1 3 198.354 2.090 20 0 AEADHO CC(C)C[C@H](C)CN1C[C@@H]([NH3+])C[C@@H]1C 385162079 346542752 /nfs/dbraw/zinc/54/27/52/346542752.db2.gz BTJYKMJLFFLRKN-SRVKXCTJSA-N 1 3 198.354 2.090 20 0 AEADHO CCC(CC)(CC)C[NH2+][C@@H]1CCNC1 391131067 346573283 /nfs/dbraw/zinc/57/32/83/346573283.db2.gz NJFZSMMVQWZMFU-LLVKDONJSA-N 1 3 198.354 2.154 20 0 AEADHO CCCN1CC[C@@H](C[NH+](CC)CC)C1 608507928 347009631 /nfs/dbraw/zinc/00/96/31/347009631.db2.gz LALVTIQIPFHOEL-LBPRGKRZSA-N 1 3 198.354 2.060 20 0 AEADHO CCC[N@@H+]1CC[C@@H](CN(CC)CC)C1 608507928 347009633 /nfs/dbraw/zinc/00/96/33/347009633.db2.gz LALVTIQIPFHOEL-LBPRGKRZSA-N 1 3 198.354 2.060 20 0 AEADHO CCC[N@H+]1CC[C@@H](CN(CC)CC)C1 608507928 347009635 /nfs/dbraw/zinc/00/96/35/347009635.db2.gz LALVTIQIPFHOEL-LBPRGKRZSA-N 1 3 198.354 2.060 20 0 AEADHO CC[NH+](CC)C[C@H]1CCN(C(C)C)C1 608507936 347009664 /nfs/dbraw/zinc/00/96/64/347009664.db2.gz QQBRPOBZMUFDCE-GFCCVEGCSA-N 1 3 198.354 2.059 20 0 AEADHO CCN(CC)C[C@H]1CC[N@@H+](C(C)C)C1 608507936 347009665 /nfs/dbraw/zinc/00/96/65/347009665.db2.gz QQBRPOBZMUFDCE-GFCCVEGCSA-N 1 3 198.354 2.059 20 0 AEADHO CCN(CC)C[C@H]1CC[N@H+](C(C)C)C1 608507936 347009666 /nfs/dbraw/zinc/00/96/66/347009666.db2.gz QQBRPOBZMUFDCE-GFCCVEGCSA-N 1 3 198.354 2.059 20 0 AEADHO CC[NH+](CC)C[C@@H]1CCN(C(C)C)C1 608507939 347009739 /nfs/dbraw/zinc/00/97/39/347009739.db2.gz QQBRPOBZMUFDCE-LBPRGKRZSA-N 1 3 198.354 2.059 20 0 AEADHO CCN(CC)C[C@@H]1CC[N@@H+](C(C)C)C1 608507939 347009740 /nfs/dbraw/zinc/00/97/40/347009740.db2.gz QQBRPOBZMUFDCE-LBPRGKRZSA-N 1 3 198.354 2.059 20 0 AEADHO CCN(CC)C[C@@H]1CC[N@H+](C(C)C)C1 608507939 347009742 /nfs/dbraw/zinc/00/97/42/347009742.db2.gz QQBRPOBZMUFDCE-LBPRGKRZSA-N 1 3 198.354 2.059 20 0 AEADHO CCC[N@@H+]1CC[C@H](CN(CC)CC)C1 608507926 347009793 /nfs/dbraw/zinc/00/97/93/347009793.db2.gz LALVTIQIPFHOEL-GFCCVEGCSA-N 1 3 198.354 2.060 20 0 AEADHO CCC[N@H+]1CC[C@H](CN(CC)CC)C1 608507926 347009794 /nfs/dbraw/zinc/00/97/94/347009794.db2.gz LALVTIQIPFHOEL-GFCCVEGCSA-N 1 3 198.354 2.060 20 0 AEADHO CCCC[N@@H+]1CC[C@@H](CN(C)CC)C1 608577970 347011342 /nfs/dbraw/zinc/01/13/42/347011342.db2.gz YRJIGTUDWQMKRO-LBPRGKRZSA-N 1 3 198.354 2.060 20 0 AEADHO CCCC[N@H+]1CC[C@@H](CN(C)CC)C1 608577970 347011345 /nfs/dbraw/zinc/01/13/45/347011345.db2.gz YRJIGTUDWQMKRO-LBPRGKRZSA-N 1 3 198.354 2.060 20 0 AEADHO CCCCN1CC[C@@H](C[N@H+](C)CC)C1 608577970 347011350 /nfs/dbraw/zinc/01/13/50/347011350.db2.gz YRJIGTUDWQMKRO-LBPRGKRZSA-N 1 3 198.354 2.060 20 0 AEADHO CCCCN1CC[C@@H](C[N@@H+](C)CC)C1 608577970 347011352 /nfs/dbraw/zinc/01/13/52/347011352.db2.gz YRJIGTUDWQMKRO-LBPRGKRZSA-N 1 3 198.354 2.060 20 0 AEADHO CCCC[N@@H+]1CC[C@H](CN(C)CC)C1 608577969 347011523 /nfs/dbraw/zinc/01/15/23/347011523.db2.gz YRJIGTUDWQMKRO-GFCCVEGCSA-N 1 3 198.354 2.060 20 0 AEADHO CCCC[N@H+]1CC[C@H](CN(C)CC)C1 608577969 347011527 /nfs/dbraw/zinc/01/15/27/347011527.db2.gz YRJIGTUDWQMKRO-GFCCVEGCSA-N 1 3 198.354 2.060 20 0 AEADHO CCCCN1CC[C@H](C[N@H+](C)CC)C1 608577969 347011529 /nfs/dbraw/zinc/01/15/29/347011529.db2.gz YRJIGTUDWQMKRO-GFCCVEGCSA-N 1 3 198.354 2.060 20 0 AEADHO CCCCN1CC[C@H](C[N@@H+](C)CC)C1 608577969 347011531 /nfs/dbraw/zinc/01/15/31/347011531.db2.gz YRJIGTUDWQMKRO-GFCCVEGCSA-N 1 3 198.354 2.060 20 0 AEADHO CCN(CC)CCC[N@H+](CC)C1CC1 619231227 347197629 /nfs/dbraw/zinc/19/76/29/347197629.db2.gz RNOCSWXPWMACQS-UHFFFAOYSA-N 1 3 198.354 2.203 20 0 AEADHO CCN(CC)CCC[N@@H+](CC)C1CC1 619231227 347197632 /nfs/dbraw/zinc/19/76/32/347197632.db2.gz RNOCSWXPWMACQS-UHFFFAOYSA-N 1 3 198.354 2.203 20 0 AEADHO CC[C@H]([NH2+]CC[C@H](C)N)C1CCCC1 622044368 347236368 /nfs/dbraw/zinc/23/63/68/347236368.db2.gz CMNBZGSLTJTASP-JQWIXIFHSA-N 1 3 198.354 2.282 20 0 AEADHO C[C@H](N)CC[NH2+][C@@H]1CCC12CCCC2 622044388 347236438 /nfs/dbraw/zinc/23/64/38/347236438.db2.gz DEKYDJFMBWACFO-WDEREUQCSA-N 1 3 196.338 2.036 20 0 AEADHO C[C@H](N)CC[NH2+][C@H]1CCC12CCCC2 622044387 347236494 /nfs/dbraw/zinc/23/64/94/347236494.db2.gz DEKYDJFMBWACFO-QWRGUYRKSA-N 1 3 196.338 2.036 20 0 AEADHO CCC(C)(C)[C@@H](C)[NH2+]CC[C@H](C)N 622044557 347236531 /nfs/dbraw/zinc/23/65/31/347236531.db2.gz KJPMWOOLNKITGV-VHSXEESVSA-N 1 3 186.343 2.138 20 0 AEADHO CCC(C)(C)[C@H](C)[NH2+]CC[C@H](C)N 622044556 347236552 /nfs/dbraw/zinc/23/65/52/347236552.db2.gz KJPMWOOLNKITGV-UWVGGRQHSA-N 1 3 186.343 2.138 20 0 AEADHO CCC[C@H]([NH2+]CC[C@H](C)N)C1CCC1 622044437 347236558 /nfs/dbraw/zinc/23/65/58/347236558.db2.gz FQEHPDSYUMCMSD-JQWIXIFHSA-N 1 3 198.354 2.282 20 0 AEADHO C[C@H](N)CC[NH2+][C@@H]1CCCC12CCC2 622044666 347236677 /nfs/dbraw/zinc/23/66/77/347236677.db2.gz OQMHJCQAHLCQFZ-WDEREUQCSA-N 1 3 196.338 2.036 20 0 AEADHO C[C@H](N)CC[NH2+][C@H]1CC(C)(C)C[C@@H]1C 622044531 347236694 /nfs/dbraw/zinc/23/66/94/347236694.db2.gz JLWNZRRLSRREKX-DCAQKATOSA-N 1 3 198.354 2.138 20 0 AEADHO CC[C@@H]([NH2+]CC[C@H](C)N)C1CCCC1 622044367 347236697 /nfs/dbraw/zinc/23/66/97/347236697.db2.gz CMNBZGSLTJTASP-CMPLNLGQSA-N 1 3 198.354 2.282 20 0 AEADHO C[C@H](N)CC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C 622044532 347236726 /nfs/dbraw/zinc/23/67/26/347236726.db2.gz JLWNZRRLSRREKX-GARJFASQSA-N 1 3 198.354 2.138 20 0 AEADHO CCC[C@@H]([NH2+]CC[C@H](C)N)C1CCC1 622044436 347236735 /nfs/dbraw/zinc/23/67/35/347236735.db2.gz FQEHPDSYUMCMSD-CMPLNLGQSA-N 1 3 198.354 2.282 20 0 AEADHO C[C@H](N)CC[NH2+][C@@H]1CC(C)(C)C[C@H]1C 622044533 347236743 /nfs/dbraw/zinc/23/67/43/347236743.db2.gz JLWNZRRLSRREKX-OUAUKWLOSA-N 1 3 198.354 2.138 20 0 AEADHO CC[C@@H]1CCC[C@H]([NH2+]CC[C@H](C)N)C1 622045115 347237254 /nfs/dbraw/zinc/23/72/54/347237254.db2.gz APOGJXPOSNEKSX-TUAOUCFPSA-N 1 3 198.354 2.282 20 0 AEADHO C[C@H](N)CC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C 622044741 347237291 /nfs/dbraw/zinc/23/72/91/347237291.db2.gz QVFUNMWRMWOLLD-NOOOWODRSA-N 1 3 198.354 2.138 20 0 AEADHO CC[C@H]1CCC[C@@H]([NH2+]CC[C@H](C)N)C1 622045113 347237378 /nfs/dbraw/zinc/23/73/78/347237378.db2.gz APOGJXPOSNEKSX-SDDRHHMPSA-N 1 3 198.354 2.282 20 0 AEADHO C[C@H](N)CC[NH2+][C@H]1C[C@H](C)CC[C@H]1C 622044744 347237442 /nfs/dbraw/zinc/23/74/42/347237442.db2.gz QVFUNMWRMWOLLD-WYUUTHIRSA-N 1 3 198.354 2.138 20 0 AEADHO C[C@H](N)CC[NH2+]C1CCC2(CC1)CC2 622044700 347237470 /nfs/dbraw/zinc/23/74/70/347237470.db2.gz PUHDKHQIHKMNQP-JTQLQIEISA-N 1 3 196.338 2.036 20 0 AEADHO CC[C@H]1CCC[C@H]([NH2+]CC[C@H](C)N)C1 622045114 347237474 /nfs/dbraw/zinc/23/74/74/347237474.db2.gz APOGJXPOSNEKSX-SRVKXCTJSA-N 1 3 198.354 2.282 20 0 AEADHO CC[C@@H]1CCC[C@@H]([NH2+]CC[C@H](C)N)C1 622045112 347237605 /nfs/dbraw/zinc/23/76/05/347237605.db2.gz APOGJXPOSNEKSX-QJPTWQEYSA-N 1 3 198.354 2.282 20 0 AEADHO CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H](C)N 622045177 347237642 /nfs/dbraw/zinc/23/76/42/347237642.db2.gz FVFHTSHVBMKGGR-QJPTWQEYSA-N 1 3 198.354 2.282 20 0 AEADHO C[C@H](N)CC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C 622044743 347237656 /nfs/dbraw/zinc/23/76/56/347237656.db2.gz QVFUNMWRMWOLLD-WISYIIOYSA-N 1 3 198.354 2.138 20 0 AEADHO C[C@H](N)CC[NH2+][C@H]1C[C@H](C)CC[C@@H]1C 622044742 347237678 /nfs/dbraw/zinc/23/76/78/347237678.db2.gz QVFUNMWRMWOLLD-RHYQMDGZSA-N 1 3 198.354 2.138 20 0 AEADHO C[C@H](N)CC[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 622045323 347238316 /nfs/dbraw/zinc/23/83/16/347238316.db2.gz MXSQGZYSYMFSIC-NOOOWODRSA-N 1 3 198.354 2.138 20 0 AEADHO CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H](C)N 622045180 347238092 /nfs/dbraw/zinc/23/80/92/347238092.db2.gz FVFHTSHVBMKGGR-TUAOUCFPSA-N 1 3 198.354 2.282 20 0 AEADHO CCCC[C@@H](CC)[NH2+]CC[C@H](C)N 622045612 347238114 /nfs/dbraw/zinc/23/81/14/347238114.db2.gz DMVQWZGYYZBJFN-WDEREUQCSA-N 1 3 186.343 2.282 20 0 AEADHO C[C@H](N)CC[NH2+][C@@H]1CCCC(C)(C)C1 622045229 347238132 /nfs/dbraw/zinc/23/81/32/347238132.db2.gz IGENJCYRANQOHW-WDEREUQCSA-N 1 3 198.354 2.282 20 0 AEADHO C[C@H](N)CC[NH2+]C1C[C@@H](C)C[C@H](C)C1 622045413 347238140 /nfs/dbraw/zinc/23/81/40/347238140.db2.gz SMZLUGWUCOKNGY-DCAQKATOSA-N 1 3 198.354 2.138 20 0 AEADHO C[C@H](N)CC[NH2+][C@H]1CC[C@@H](C)C[C@H]1C 622045304 347238162 /nfs/dbraw/zinc/23/81/62/347238162.db2.gz LOUFPFYOCXLJLS-WYUUTHIRSA-N 1 3 198.354 2.138 20 0 AEADHO C[C@H](N)CC[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1 622045326 347238181 /nfs/dbraw/zinc/23/81/81/347238181.db2.gz MXSQGZYSYMFSIC-WYUUTHIRSA-N 1 3 198.354 2.138 20 0 AEADHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C 622045457 347238212 /nfs/dbraw/zinc/23/82/12/347238212.db2.gz VXRROHQOEGLTTK-WRWGMCAJSA-N 1 3 198.354 2.138 20 0 AEADHO C[C@H](N)CC[NH2+]C1[C@@H](C)CCC[C@@H]1C 622045197 347238252 /nfs/dbraw/zinc/23/82/52/347238252.db2.gz GRXQXJDFEGIXHP-DCAQKATOSA-N 1 3 198.354 2.138 20 0 AEADHO CCCC[C@H](CC)[NH2+]CC[C@H](C)N 622045611 347238268 /nfs/dbraw/zinc/23/82/68/347238268.db2.gz DMVQWZGYYZBJFN-QWRGUYRKSA-N 1 3 186.343 2.282 20 0 AEADHO C[C@H](N)CC[NH2+][C@H](C)CC1CCCC1 622045252 347238286 /nfs/dbraw/zinc/23/82/86/347238286.db2.gz JZNNYAANMHTSED-WDEREUQCSA-N 1 3 198.354 2.282 20 0 AEADHO C[C@H](N)CC[NH2+][C@@H]1C[C@@H](C)C[C@@H](C)C1 622045415 347238307 /nfs/dbraw/zinc/23/83/07/347238307.db2.gz SMZLUGWUCOKNGY-WHOHXGKFSA-N 1 3 198.354 2.138 20 0 AEADHO C[C@H](N)CC[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C 622045456 347238343 /nfs/dbraw/zinc/23/83/43/347238343.db2.gz VXRROHQOEGLTTK-RHYQMDGZSA-N 1 3 198.354 2.138 20 0 AEADHO C[C@H](N)CC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C 622045303 347238400 /nfs/dbraw/zinc/23/84/00/347238400.db2.gz LOUFPFYOCXLJLS-WISYIIOYSA-N 1 3 198.354 2.138 20 0 AEADHO C[C@H](N)CC[NH2+]C1CCC(C)(C)CC1 622045641 347238428 /nfs/dbraw/zinc/23/84/28/347238428.db2.gz IPQYXVPLHRBMDD-JTQLQIEISA-N 1 3 198.354 2.282 20 0 AEADHO C[C@H](N)CC[NH2+][C@@H]1[C@@H](C)CCC[C@H]1C 622045199 347238442 /nfs/dbraw/zinc/23/84/42/347238442.db2.gz GRXQXJDFEGIXHP-WHOHXGKFSA-N 1 3 198.354 2.138 20 0 AEADHO C[C@H](N)CC[NH2+]C1[C@H](C)CCC[C@H]1C 622045198 347238457 /nfs/dbraw/zinc/23/84/57/347238457.db2.gz GRXQXJDFEGIXHP-MXWKQRLJSA-N 1 3 198.354 2.138 20 0 AEADHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C 622045455 347238462 /nfs/dbraw/zinc/23/84/62/347238462.db2.gz VXRROHQOEGLTTK-NOOOWODRSA-N 1 3 198.354 2.138 20 0 AEADHO C[C@H](N)CC[NH2+][C@H]1CCCCC1(C)C 622045501 347238469 /nfs/dbraw/zinc/23/84/69/347238469.db2.gz ZFTKRCUFMHSKJM-QWRGUYRKSA-N 1 3 198.354 2.282 20 0 AEADHO C[C@H](N)CC[NH2+]C1C[C@H](C)C[C@@H](C)C1 622045414 347238477 /nfs/dbraw/zinc/23/84/77/347238477.db2.gz SMZLUGWUCOKNGY-MXWKQRLJSA-N 1 3 198.354 2.138 20 0 AEADHO C[C@H](N)CC[NH2+][C@@H](C)CC1CCCC1 622045251 347238491 /nfs/dbraw/zinc/23/84/91/347238491.db2.gz JZNNYAANMHTSED-QWRGUYRKSA-N 1 3 198.354 2.282 20 0 AEADHO CCC1CCC([NH2+]CC[C@H](C)N)CC1 622045628 347238498 /nfs/dbraw/zinc/23/84/98/347238498.db2.gz HONKUNKUTBOUGU-UNXYVOJBSA-N 1 3 198.354 2.282 20 0 AEADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC[C@H](C)N 622045487 347238536 /nfs/dbraw/zinc/23/85/36/347238536.db2.gz XTPBQFWAMMTOOG-SRVKXCTJSA-N 1 3 198.354 2.138 20 0 AEADHO C[C@H](N)CC[NH2+][C@@H]1CCCCC1(C)C 622045502 347238542 /nfs/dbraw/zinc/23/85/42/347238542.db2.gz ZFTKRCUFMHSKJM-WDEREUQCSA-N 1 3 198.354 2.282 20 0 AEADHO CC(C)[C@@H]1CCC[C@H]1[NH2+]CC[C@H](C)N 622045486 347238559 /nfs/dbraw/zinc/23/85/59/347238559.db2.gz XTPBQFWAMMTOOG-SDDRHHMPSA-N 1 3 198.354 2.138 20 0 AEADHO C[C@H](N)CC[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 622045325 347238568 /nfs/dbraw/zinc/23/85/68/347238568.db2.gz MXSQGZYSYMFSIC-WISYIIOYSA-N 1 3 198.354 2.138 20 0 AEADHO CC[C@H]1CCCC[C@H]1[NH2+]CC[C@H](C)N 622045178 347238598 /nfs/dbraw/zinc/23/85/98/347238598.db2.gz FVFHTSHVBMKGGR-SDDRHHMPSA-N 1 3 198.354 2.282 20 0 AEADHO C[C@H]([NH3+])CCN[C@H](C)c1cccs1 622045557 347238623 /nfs/dbraw/zinc/23/86/23/347238623.db2.gz AAKNTVPYKBVAKZ-DTWKUNHWSA-N 1 3 198.335 2.136 20 0 AEADHO C[C@H](N)CC[NH2+][C@H]1CCCC(C)(C)C1 622045228 347238640 /nfs/dbraw/zinc/23/86/40/347238640.db2.gz IGENJCYRANQOHW-QWRGUYRKSA-N 1 3 198.354 2.282 20 0 AEADHO C[C@H](N)CC[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1 622045324 347238662 /nfs/dbraw/zinc/23/86/62/347238662.db2.gz MXSQGZYSYMFSIC-RHYQMDGZSA-N 1 3 198.354 2.138 20 0 AEADHO C[C@H](N)CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C 622045301 347238669 /nfs/dbraw/zinc/23/86/69/347238669.db2.gz LOUFPFYOCXLJLS-NOOOWODRSA-N 1 3 198.354 2.138 20 0 AEADHO CC(C)[C@H]1CCC[C@H]1[NH2+]CC[C@H](C)N 622045485 347238686 /nfs/dbraw/zinc/23/86/86/347238686.db2.gz XTPBQFWAMMTOOG-QJPTWQEYSA-N 1 3 198.354 2.138 20 0 AEADHO CC[C@H]1CCCC[C@@H]1[NH2+]CC[C@H](C)N 622045179 347238717 /nfs/dbraw/zinc/23/87/17/347238717.db2.gz FVFHTSHVBMKGGR-SRVKXCTJSA-N 1 3 198.354 2.282 20 0 AEADHO C[C@H]([NH3+])CCN[C@@H](C)c1cccs1 622045558 347238775 /nfs/dbraw/zinc/23/87/75/347238775.db2.gz AAKNTVPYKBVAKZ-IUCAKERBSA-N 1 3 198.335 2.136 20 0 AEADHO C[C@H](N)CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C 622045302 347238806 /nfs/dbraw/zinc/23/88/06/347238806.db2.gz LOUFPFYOCXLJLS-RHYQMDGZSA-N 1 3 198.354 2.138 20 0 AEADHO CC(C)[C@H]1CCC[C@@H]1[NH2+]CC[C@H](C)N 622045488 347238866 /nfs/dbraw/zinc/23/88/66/347238866.db2.gz XTPBQFWAMMTOOG-TUAOUCFPSA-N 1 3 198.354 2.138 20 0 AEADHO C[C@H](N)CC[NH2+][C@H]1CCC[C@@H](C)[C@H]1C 622045454 347238873 /nfs/dbraw/zinc/23/88/73/347238873.db2.gz VXRROHQOEGLTTK-KXNHARMFSA-N 1 3 198.354 2.138 20 0 AEADHO C[C@H](N)CC[NH2+][C@H](C)C1CCCCC1 622045677 347239104 /nfs/dbraw/zinc/23/91/04/347239104.db2.gz MVJUPJFUNYBVKG-WDEREUQCSA-N 1 3 198.354 2.282 20 0 AEADHO C[C@H](N)CC[NH2+][C@@H](C)C1CCCCC1 622045676 347239133 /nfs/dbraw/zinc/23/91/33/347239133.db2.gz MVJUPJFUNYBVKG-QWRGUYRKSA-N 1 3 198.354 2.282 20 0 AEADHO CC(C)CC[C@@H](C)[NH2+]CC[C@H](C)N 622045769 347239146 /nfs/dbraw/zinc/23/91/46/347239146.db2.gz WRYWHHULTNZSDN-WDEREUQCSA-N 1 3 186.343 2.138 20 0 AEADHO CC(C)=CCC[C@H](C)[NH2+]CC[C@H](C)N 622045726 347239174 /nfs/dbraw/zinc/23/91/74/347239174.db2.gz RRIOCYOXOXHYRT-RYUDHWBXSA-N 1 3 198.354 2.448 20 0 AEADHO CC(C)CC[C@H](C)[NH2+]CC[C@H](C)N 622045768 347239209 /nfs/dbraw/zinc/23/92/09/347239209.db2.gz WRYWHHULTNZSDN-QWRGUYRKSA-N 1 3 186.343 2.138 20 0 AEADHO CC(C)=CCC[C@@H](C)[NH2+]CC[C@H](C)N 622045725 347239485 /nfs/dbraw/zinc/23/94/85/347239485.db2.gz RRIOCYOXOXHYRT-NWDGAFQWSA-N 1 3 198.354 2.448 20 0 AEADHO CCCC(CCC)[NH2+]CC[C@H](C)N 622045701 347239636 /nfs/dbraw/zinc/23/96/36/347239636.db2.gz PHZJVCLEWZTAMM-JTQLQIEISA-N 1 3 186.343 2.282 20 0 AEADHO CC[C@@H](C)[NH2+]C[C@H]1CCCCN(C)C1 624120330 347269901 /nfs/dbraw/zinc/26/99/01/347269901.db2.gz WFMOLGIXPGLOLQ-VXGBXAGGSA-N 1 3 198.354 2.106 20 0 AEADHO CC[C@H](C)[NH2+]C[C@H]1CCCCN(C)C1 624120328 347269830 /nfs/dbraw/zinc/26/98/30/347269830.db2.gz WFMOLGIXPGLOLQ-NWDGAFQWSA-N 1 3 198.354 2.106 20 0 AEADHO CC[C@@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 624120327 347269912 /nfs/dbraw/zinc/26/99/12/347269912.db2.gz WFMOLGIXPGLOLQ-NEPJUHHUSA-N 1 3 198.354 2.106 20 0 AEADHO CC[C@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 624120329 347269926 /nfs/dbraw/zinc/26/99/26/347269926.db2.gz WFMOLGIXPGLOLQ-RYUDHWBXSA-N 1 3 198.354 2.106 20 0 AEADHO CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H]1CCNC1 629408603 347342994 /nfs/dbraw/zinc/34/29/94/347342994.db2.gz SWLOKIRBDNFYTK-IJLUTSLNSA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@H](C)C[C@@H](CC)[NH2+][C@@H]1CCNC1 629408605 347343001 /nfs/dbraw/zinc/34/30/01/347343001.db2.gz SWLOKIRBDNFYTK-QJPTWQEYSA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@@H](C[C@H](C)CC)[NH2+][C@@H]1CCNC1 629408601 347343301 /nfs/dbraw/zinc/34/33/01/347343301.db2.gz SWLOKIRBDNFYTK-GRYCIOLGSA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCNC1 629408606 347343504 /nfs/dbraw/zinc/34/35/04/347343504.db2.gz SWLOKIRBDNFYTK-SDDRHHMPSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CCNC1 629545473 347347691 /nfs/dbraw/zinc/34/76/91/347347691.db2.gz JVOXRXOYIYFBAL-VXGBXAGGSA-N 1 3 196.338 2.073 20 0 AEADHO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCNC1 629545472 347347946 /nfs/dbraw/zinc/34/79/46/347347946.db2.gz JVOXRXOYIYFBAL-NWDGAFQWSA-N 1 3 196.338 2.073 20 0 AEADHO CCCC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCNC1 629553027 347348531 /nfs/dbraw/zinc/34/85/31/347348531.db2.gz GKIDLYUSVQOVAA-IJLUTSLNSA-N 1 3 198.354 2.153 20 0 AEADHO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CCNC1 629553029 347348864 /nfs/dbraw/zinc/34/88/64/347348864.db2.gz GKIDLYUSVQOVAA-SDDRHHMPSA-N 1 3 198.354 2.153 20 0 AEADHO CCCC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCNC1 629553026 347348905 /nfs/dbraw/zinc/34/89/05/347348905.db2.gz GKIDLYUSVQOVAA-GRYCIOLGSA-N 1 3 198.354 2.153 20 0 AEADHO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCNC1 629553028 347349059 /nfs/dbraw/zinc/34/90/59/347349059.db2.gz GKIDLYUSVQOVAA-QJPTWQEYSA-N 1 3 198.354 2.153 20 0 AEADHO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H]1CCNC1 629553446 347349936 /nfs/dbraw/zinc/34/99/36/347349936.db2.gz PQJBMHGDQGCODL-QJPTWQEYSA-N 1 3 198.354 2.153 20 0 AEADHO CCC[C@@H](C)[C@@H](CC)[NH2+][C@@H]1CCNC1 629553445 347349702 /nfs/dbraw/zinc/34/97/02/347349702.db2.gz PQJBMHGDQGCODL-IJLUTSLNSA-N 1 3 198.354 2.153 20 0 AEADHO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CCNC1 629553447 347349975 /nfs/dbraw/zinc/34/99/75/347349975.db2.gz PQJBMHGDQGCODL-TUAOUCFPSA-N 1 3 198.354 2.153 20 0 AEADHO CCC[C@@H](C)[C@H](CC)[NH2+][C@@H]1CCNC1 629553448 347350089 /nfs/dbraw/zinc/35/00/89/347350089.db2.gz PQJBMHGDQGCODL-UTUOFQBUSA-N 1 3 198.354 2.153 20 0 AEADHO C[C@@H]1C[N@H+](CCC(C)(C)C)CC[C@@H]1N 86884486 351656525 /nfs/dbraw/zinc/65/65/25/351656525.db2.gz CUYBOYVZFXKACL-MNOVXSKESA-N 1 3 198.354 2.092 20 0 AEADHO C[C@@H]1C[N@@H+](CCC(C)(C)C)CC[C@@H]1N 86884486 351656530 /nfs/dbraw/zinc/65/65/30/351656530.db2.gz CUYBOYVZFXKACL-MNOVXSKESA-N 1 3 198.354 2.092 20 0 AEADHO C[C@@H]1CN(CCC(C)(C)C)CC[C@@H]1[NH3+] 86884486 351656532 /nfs/dbraw/zinc/65/65/32/351656532.db2.gz CUYBOYVZFXKACL-MNOVXSKESA-N 1 3 198.354 2.092 20 0 AEADHO C[C@H]1C[N@H+](CCC(C)(C)C)CC[C@@H]1N 86884488 351657171 /nfs/dbraw/zinc/65/71/71/351657171.db2.gz CUYBOYVZFXKACL-QWRGUYRKSA-N 1 3 198.354 2.092 20 0 AEADHO C[C@H]1C[N@@H+](CCC(C)(C)C)CC[C@@H]1N 86884488 351657173 /nfs/dbraw/zinc/65/71/73/351657173.db2.gz CUYBOYVZFXKACL-QWRGUYRKSA-N 1 3 198.354 2.092 20 0 AEADHO C[C@H]1CN(CCC(C)(C)C)CC[C@@H]1[NH3+] 86884488 351657176 /nfs/dbraw/zinc/65/71/76/351657176.db2.gz CUYBOYVZFXKACL-QWRGUYRKSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)C1CC[NH+](CC(C)(C)N)CC1 108310289 351720974 /nfs/dbraw/zinc/72/09/74/351720974.db2.gz CNWUVTZZPKEEEI-UHFFFAOYSA-N 1 3 198.354 2.092 20 0 AEADHO CCCCC[N@@H+]1CC[C@H](C)[C@H](CN)C1 164645645 351765454 /nfs/dbraw/zinc/76/54/54/351765454.db2.gz YHBAJZUIQJSCKJ-NWDGAFQWSA-N 1 3 198.354 2.093 20 0 AEADHO CCCCC[N@H+]1CC[C@H](C)[C@H](CN)C1 164645645 351765459 /nfs/dbraw/zinc/76/54/59/351765459.db2.gz YHBAJZUIQJSCKJ-NWDGAFQWSA-N 1 3 198.354 2.093 20 0 AEADHO CCCCC[N@@H+]1CC[C@@H](C)[C@H](CN)C1 164645764 351765580 /nfs/dbraw/zinc/76/55/80/351765580.db2.gz YHBAJZUIQJSCKJ-VXGBXAGGSA-N 1 3 198.354 2.093 20 0 AEADHO CCCCC[N@H+]1CC[C@@H](C)[C@H](CN)C1 164645764 351765587 /nfs/dbraw/zinc/76/55/87/351765587.db2.gz YHBAJZUIQJSCKJ-VXGBXAGGSA-N 1 3 198.354 2.093 20 0 AEADHO C[C@@H]1C[N@H+](CCC(C)(C)C)CC[C@H]1N 251592690 351835482 /nfs/dbraw/zinc/83/54/82/351835482.db2.gz CUYBOYVZFXKACL-GHMZBOCLSA-N 1 3 198.354 2.092 20 0 AEADHO C[C@@H]1C[N@@H+](CCC(C)(C)C)CC[C@H]1N 251592690 351835483 /nfs/dbraw/zinc/83/54/83/351835483.db2.gz CUYBOYVZFXKACL-GHMZBOCLSA-N 1 3 198.354 2.092 20 0 AEADHO C[C@@H]1CN(CCC(C)(C)C)CC[C@H]1[NH3+] 251592690 351835486 /nfs/dbraw/zinc/83/54/86/351835486.db2.gz CUYBOYVZFXKACL-GHMZBOCLSA-N 1 3 198.354 2.092 20 0 AEADHO C[NH2+]CCCN(C)CCC1CCCC1 258696465 351866344 /nfs/dbraw/zinc/86/63/44/351866344.db2.gz GKBOYHGPONNFDZ-UHFFFAOYSA-N 1 3 198.354 2.108 20 0 AEADHO CNCCC[N@H+](C)CCC1CCCC1 258696465 351866346 /nfs/dbraw/zinc/86/63/46/351866346.db2.gz GKBOYHGPONNFDZ-UHFFFAOYSA-N 1 3 198.354 2.108 20 0 AEADHO CNCCC[N@@H+](C)CCC1CCCC1 258696465 351866348 /nfs/dbraw/zinc/86/63/48/351866348.db2.gz GKBOYHGPONNFDZ-UHFFFAOYSA-N 1 3 198.354 2.108 20 0 AEADHO CC(C)=CCN[C@H]1CC[N@H+](C)[C@H](C)C1 300333138 351895565 /nfs/dbraw/zinc/89/55/65/351895565.db2.gz GPLITJMHKDRWEL-NEPJUHHUSA-N 1 3 196.338 2.025 20 0 AEADHO CC(C)=CCN[C@H]1CC[N@@H+](C)[C@H](C)C1 300333138 351895569 /nfs/dbraw/zinc/89/55/69/351895569.db2.gz GPLITJMHKDRWEL-NEPJUHHUSA-N 1 3 196.338 2.025 20 0 AEADHO CC(C)=CCN[C@@H]1CC[N@H+](C)[C@H](C)C1 300333139 351895636 /nfs/dbraw/zinc/89/56/36/351895636.db2.gz GPLITJMHKDRWEL-VXGBXAGGSA-N 1 3 196.338 2.025 20 0 AEADHO CC(C)=CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 300333139 351895639 /nfs/dbraw/zinc/89/56/39/351895639.db2.gz GPLITJMHKDRWEL-VXGBXAGGSA-N 1 3 196.338 2.025 20 0 AEADHO CC[C@@H](C)[N@@H+]1CCC[C@@H](N(C)C)CC1 334440912 352069635 /nfs/dbraw/zinc/06/96/35/352069635.db2.gz YMJBZMBAUVAJLE-VXGBXAGGSA-N 1 3 198.354 2.201 20 0 AEADHO CC[C@@H](C)[N@H+]1CCC[C@@H](N(C)C)CC1 334440912 352069639 /nfs/dbraw/zinc/06/96/39/352069639.db2.gz YMJBZMBAUVAJLE-VXGBXAGGSA-N 1 3 198.354 2.201 20 0 AEADHO CC[C@@H](C)[N@@H+]1CCC[C@H](N(C)C)CC1 334440909 352070123 /nfs/dbraw/zinc/07/01/23/352070123.db2.gz YMJBZMBAUVAJLE-NEPJUHHUSA-N 1 3 198.354 2.201 20 0 AEADHO CC[C@@H](C)[N@H+]1CCC[C@H](N(C)C)CC1 334440909 352070124 /nfs/dbraw/zinc/07/01/24/352070124.db2.gz YMJBZMBAUVAJLE-NEPJUHHUSA-N 1 3 198.354 2.201 20 0 AEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)C 335426460 352098016 /nfs/dbraw/zinc/09/80/16/352098016.db2.gz WFWOFJOZLUZALD-MNOVXSKESA-N 1 3 198.354 2.010 20 0 AEADHO CC(C)C[N@@H+]1CCC[C@H](N(C)C)CC1 336119663 352126276 /nfs/dbraw/zinc/12/62/76/352126276.db2.gz HUSKMKRNNLMTSC-LBPRGKRZSA-N 1 3 198.354 2.059 20 0 AEADHO CC(C)C[N@H+]1CCC[C@H](N(C)C)CC1 336119663 352126281 /nfs/dbraw/zinc/12/62/81/352126281.db2.gz HUSKMKRNNLMTSC-LBPRGKRZSA-N 1 3 198.354 2.059 20 0 AEADHO CC(C)C[N@@H+]1CCC[C@@H](N(C)C)CC1 336119662 352126496 /nfs/dbraw/zinc/12/64/96/352126496.db2.gz HUSKMKRNNLMTSC-GFCCVEGCSA-N 1 3 198.354 2.059 20 0 AEADHO CC(C)C[N@H+]1CCC[C@@H](N(C)C)CC1 336119662 352126500 /nfs/dbraw/zinc/12/65/00/352126500.db2.gz HUSKMKRNNLMTSC-GFCCVEGCSA-N 1 3 198.354 2.059 20 0 AEADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C)C1 643451694 352951830 /nfs/dbraw/zinc/95/18/30/352951830.db2.gz LAXIAHWSRPBDNB-FIQHERPVSA-N 1 3 198.354 2.281 20 0 AEADHO CC[C@@H](NCC(C)(C)C)[C@@H]1CCC[NH2+]1 643451707 352951918 /nfs/dbraw/zinc/95/19/18/352951918.db2.gz NVPBZDDOGYTLIR-MNOVXSKESA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@@H]([NH2+]CC(C)(C)C)[C@@H]1CCCN1 643451707 352951919 /nfs/dbraw/zinc/95/19/19/352951919.db2.gz NVPBZDDOGYTLIR-MNOVXSKESA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@H](NCC(C)(C)C)[C@@H]1CCC[NH2+]1 643451708 352951939 /nfs/dbraw/zinc/95/19/39/352951939.db2.gz NVPBZDDOGYTLIR-QWRGUYRKSA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@H]([NH2+]CC(C)(C)C)[C@@H]1CCCN1 643451708 352951940 /nfs/dbraw/zinc/95/19/40/352951940.db2.gz NVPBZDDOGYTLIR-QWRGUYRKSA-N 1 3 198.354 2.153 20 0 AEADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C)C1 643451696 352951976 /nfs/dbraw/zinc/95/19/76/352951976.db2.gz LAXIAHWSRPBDNB-RHYQMDGZSA-N 1 3 198.354 2.281 20 0 AEADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)C1 643451695 352952056 /nfs/dbraw/zinc/95/20/56/352952056.db2.gz LAXIAHWSRPBDNB-NOOOWODRSA-N 1 3 198.354 2.281 20 0 AEADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCC[C@H](C)C1 643451693 352952062 /nfs/dbraw/zinc/95/20/62/352952062.db2.gz LAXIAHWSRPBDNB-BJDJZHNGSA-N 1 3 198.354 2.281 20 0 AEADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C 643454177 352952592 /nfs/dbraw/zinc/95/25/92/352952592.db2.gz PFQOFBSONXCPAE-FIQHERPVSA-N 1 3 198.354 2.281 20 0 AEADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C 643454176 352952525 /nfs/dbraw/zinc/95/25/25/352952525.db2.gz PFQOFBSONXCPAE-BJDJZHNGSA-N 1 3 198.354 2.281 20 0 AEADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C 643454178 352952786 /nfs/dbraw/zinc/95/27/86/352952786.db2.gz PFQOFBSONXCPAE-NOOOWODRSA-N 1 3 198.354 2.281 20 0 AEADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1C 643454179 352952870 /nfs/dbraw/zinc/95/28/70/352952870.db2.gz PFQOFBSONXCPAE-RHYQMDGZSA-N 1 3 198.354 2.281 20 0 AEADHO CC[C@H]([NH2+]CCC(C)C)[C@@H]1CCCN1 643454431 352953324 /nfs/dbraw/zinc/95/33/24/352953324.db2.gz QXFAULKWPLYKCH-RYUDHWBXSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)CC[C@@H](C)[NH2+][C@H](C)C1CNC1 643454419 352953346 /nfs/dbraw/zinc/95/33/46/352953346.db2.gz NRGVXCWDHKZPPX-GHMZBOCLSA-N 1 3 198.354 2.009 20 0 AEADHO CC(C)CC[C@H](C)[NH2+][C@@H](C)C1CNC1 643454421 352953444 /nfs/dbraw/zinc/95/34/44/352953444.db2.gz NRGVXCWDHKZPPX-QWRGUYRKSA-N 1 3 198.354 2.009 20 0 AEADHO CC(C)CC[NH2+][C@@H]1CCNCC[C@@H]1C 643454384 352953459 /nfs/dbraw/zinc/95/34/59/352953459.db2.gz AHZBKGJNBITYKE-NWDGAFQWSA-N 1 3 198.354 2.010 20 0 AEADHO CC(C)CC[NH2+][C@H]1CCNCC[C@H]1C 643454383 352953463 /nfs/dbraw/zinc/95/34/63/352953463.db2.gz AHZBKGJNBITYKE-NEPJUHHUSA-N 1 3 198.354 2.010 20 0 AEADHO CC(C)CC[NH2+][C@@H]1CCNCC[C@H]1C 643454386 352953543 /nfs/dbraw/zinc/95/35/43/352953543.db2.gz AHZBKGJNBITYKE-VXGBXAGGSA-N 1 3 198.354 2.010 20 0 AEADHO CC[C@H](NC1CCCC1)[C@@H]1CCC[NH2+]1 643454259 352953583 /nfs/dbraw/zinc/95/35/83/352953583.db2.gz WUMDIUZPEBYUSD-RYUDHWBXSA-N 1 3 196.338 2.049 20 0 AEADHO CC[C@H]([NH2+]C1CCCC1)[C@@H]1CCCN1 643454259 352953585 /nfs/dbraw/zinc/95/35/85/352953585.db2.gz WUMDIUZPEBYUSD-RYUDHWBXSA-N 1 3 196.338 2.049 20 0 AEADHO CC(C)CC[NH2+][C@H]1CCNCC[C@@H]1C 643454385 352953664 /nfs/dbraw/zinc/95/36/64/352953664.db2.gz AHZBKGJNBITYKE-RYUDHWBXSA-N 1 3 198.354 2.010 20 0 AEADHO CC[C@@H]([NH2+]CCC(C)C)[C@@H]1CCCN1 643454430 352953711 /nfs/dbraw/zinc/95/37/11/352953711.db2.gz QXFAULKWPLYKCH-NEPJUHHUSA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@@H](NC1CCCC1)[C@@H]1CCC[NH2+]1 643454258 352953756 /nfs/dbraw/zinc/95/37/56/352953756.db2.gz WUMDIUZPEBYUSD-NEPJUHHUSA-N 1 3 196.338 2.049 20 0 AEADHO CC[C@@H]([NH2+]C1CCCC1)[C@@H]1CCCN1 643454258 352953760 /nfs/dbraw/zinc/95/37/60/352953760.db2.gz WUMDIUZPEBYUSD-NEPJUHHUSA-N 1 3 196.338 2.049 20 0 AEADHO CC(C)CC[C@H](C)[NH2+][C@H](C)C1CNC1 643454422 352953822 /nfs/dbraw/zinc/95/38/22/352953822.db2.gz NRGVXCWDHKZPPX-WDEREUQCSA-N 1 3 198.354 2.009 20 0 AEADHO CC(C)CC[C@@H](C)[NH2+][C@@H](C)C1CNC1 643454420 352953886 /nfs/dbraw/zinc/95/38/86/352953886.db2.gz NRGVXCWDHKZPPX-MNOVXSKESA-N 1 3 198.354 2.009 20 0 AEADHO CCCCCNC1C[C@@H]2CC[C@H](C1)[NH2+]2 643455669 352954140 /nfs/dbraw/zinc/95/41/40/352954140.db2.gz WTCCGOYWHCVQNQ-FOSCPWQOSA-N 1 3 196.338 2.049 20 0 AEADHO CCCCC[NH2+][C@H]1CCNCC[C@@H]1C 643455667 352954238 /nfs/dbraw/zinc/95/42/38/352954238.db2.gz WCSZYSTUMVYGIM-RYUDHWBXSA-N 1 3 198.354 2.154 20 0 AEADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1CCCCC1 643455661 352954316 /nfs/dbraw/zinc/95/43/16/352954316.db2.gz WASGQMNKZJBACV-GHMZBOCLSA-N 1 3 198.354 2.282 20 0 AEADHO CCCCC[NH2+][C@H]1CCNCC[C@H]1C 643455665 352954356 /nfs/dbraw/zinc/95/43/56/352954356.db2.gz WCSZYSTUMVYGIM-NEPJUHHUSA-N 1 3 198.354 2.154 20 0 AEADHO C[C@H](N)C[C@H](C)[NH2+]CC1CCCCC1 643455663 352954374 /nfs/dbraw/zinc/95/43/74/352954374.db2.gz WASGQMNKZJBACV-QWRGUYRKSA-N 1 3 198.354 2.282 20 0 AEADHO C[C@@H](C[C@@H](C)N)[NH2+]CC1CCCCC1 643455662 352954413 /nfs/dbraw/zinc/95/44/13/352954413.db2.gz WASGQMNKZJBACV-MNOVXSKESA-N 1 3 198.354 2.282 20 0 AEADHO CCCCC[NH2+][C@@H]1CCNCC[C@H]1C 643455668 352954555 /nfs/dbraw/zinc/95/45/55/352954555.db2.gz WCSZYSTUMVYGIM-VXGBXAGGSA-N 1 3 198.354 2.154 20 0 AEADHO C[C@H](N)C[C@@H](C)[NH2+]CC1CCCCC1 643455664 352954838 /nfs/dbraw/zinc/95/48/38/352954838.db2.gz WASGQMNKZJBACV-WDEREUQCSA-N 1 3 198.354 2.282 20 0 AEADHO CCCCC[NH2+][C@@H]1CCNCC[C@@H]1C 643455666 352954868 /nfs/dbraw/zinc/95/48/68/352954868.db2.gz WCSZYSTUMVYGIM-NWDGAFQWSA-N 1 3 198.354 2.154 20 0 AEADHO CC(C)CCC[NH2+][C@@H](C)C[C@H](C)N 643458471 352955112 /nfs/dbraw/zinc/95/51/12/352955112.db2.gz NYCDPPXKKQKJPS-QWRGUYRKSA-N 1 3 186.343 2.138 20 0 AEADHO CC(C)CCC[NH2+][C@@H](C)C[C@@H](C)N 643458470 352955133 /nfs/dbraw/zinc/95/51/33/352955133.db2.gz NYCDPPXKKQKJPS-MNOVXSKESA-N 1 3 186.343 2.138 20 0 AEADHO CCC1(C[NH2+][C@H](C)C[C@@H](C)N)CCC1 643461028 352955292 /nfs/dbraw/zinc/95/52/92/352955292.db2.gz BEIXWILRRKVKEY-GHMZBOCLSA-N 1 3 198.354 2.282 20 0 AEADHO CCC1(C[NH2+][C@H](C)C[C@H](C)N)CCC1 643461031 352955475 /nfs/dbraw/zinc/95/54/75/352955475.db2.gz BEIXWILRRKVKEY-WDEREUQCSA-N 1 3 198.354 2.282 20 0 AEADHO CCC(CC)C[NH2+][C@H](C)C[C@H](C)N 643461740 352955647 /nfs/dbraw/zinc/95/56/47/352955647.db2.gz DPESXNBAOPSIOZ-VHSXEESVSA-N 1 3 186.343 2.138 20 0 AEADHO CCC1(C[NH2+][C@@H](C)C[C@@H](C)N)CCC1 643461029 352955567 /nfs/dbraw/zinc/95/55/67/352955567.db2.gz BEIXWILRRKVKEY-MNOVXSKESA-N 1 3 198.354 2.282 20 0 AEADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCCC1(C)C 643460421 352955794 /nfs/dbraw/zinc/95/57/94/352955794.db2.gz BMWIERFFYFWZIX-GARJFASQSA-N 1 3 198.354 2.281 20 0 AEADHO CC(C)CCC[NH2+][C@H](C)C[C@@H](C)N 643458469 352955621 /nfs/dbraw/zinc/95/56/21/352955621.db2.gz NYCDPPXKKQKJPS-GHMZBOCLSA-N 1 3 186.343 2.138 20 0 AEADHO C[C@H](N)C[C@@H](C)[NH2+][C@@H]1CCCC1(C)C 643460422 352955669 /nfs/dbraw/zinc/95/56/69/352955669.db2.gz BMWIERFFYFWZIX-HBNTYKKESA-N 1 3 198.354 2.281 20 0 AEADHO CCC(CC)C[NH2+][C@H](C)C[C@@H](C)N 643461738 352955685 /nfs/dbraw/zinc/95/56/85/352955685.db2.gz DPESXNBAOPSIOZ-NXEZZACHSA-N 1 3 186.343 2.138 20 0 AEADHO CC(C)CCC[NH2+][C@H](C)C[C@H](C)N 643458472 352955728 /nfs/dbraw/zinc/95/57/28/352955728.db2.gz NYCDPPXKKQKJPS-WDEREUQCSA-N 1 3 186.343 2.138 20 0 AEADHO C[C@H](N)C[C@@H](C)[NH2+][C@H]1CCCC1(C)C 643460419 352955749 /nfs/dbraw/zinc/95/57/49/352955749.db2.gz BMWIERFFYFWZIX-AXFHLTTASA-N 1 3 198.354 2.281 20 0 AEADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCCC1(C)C 643460420 352955754 /nfs/dbraw/zinc/95/57/54/352955754.db2.gz BMWIERFFYFWZIX-DCAQKATOSA-N 1 3 198.354 2.281 20 0 AEADHO CCC(CC)C[NH2+][C@@H](C)C[C@@H](C)N 643461741 352955811 /nfs/dbraw/zinc/95/58/11/352955811.db2.gz DPESXNBAOPSIOZ-ZJUUUORDSA-N 1 3 186.343 2.138 20 0 AEADHO CCC(CC)C[NH2+][C@@H](C)C[C@H](C)N 643461739 352955829 /nfs/dbraw/zinc/95/58/29/352955829.db2.gz DPESXNBAOPSIOZ-UWVGGRQHSA-N 1 3 186.343 2.138 20 0 AEADHO CCC1(C[NH2+][C@@H](C)C[C@H](C)N)CCC1 643461030 352955844 /nfs/dbraw/zinc/95/58/44/352955844.db2.gz BEIXWILRRKVKEY-QWRGUYRKSA-N 1 3 198.354 2.282 20 0 AEADHO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)C1CNC1 643465535 352956000 /nfs/dbraw/zinc/95/60/00/352956000.db2.gz GDNAWSGOPYDMHR-DCAQKATOSA-N 1 3 198.354 2.009 20 0 AEADHO CC[C@H](C)[C@@H](C)N[C@H](C)[C@H]1CCC[NH2+]1 643463613 352956082 /nfs/dbraw/zinc/95/60/82/352956082.db2.gz OUFRRNYXAKNYLP-IRCOFANPSA-N 1 3 198.354 2.151 20 0 AEADHO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)[C@H]1CCCN1 643463613 352956084 /nfs/dbraw/zinc/95/60/84/352956084.db2.gz OUFRRNYXAKNYLP-IRCOFANPSA-N 1 3 198.354 2.151 20 0 AEADHO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)C1CNC1 643465537 352956129 /nfs/dbraw/zinc/95/61/29/352956129.db2.gz GDNAWSGOPYDMHR-HBNTYKKESA-N 1 3 198.354 2.009 20 0 AEADHO C[C@@H]([NH2+]CCCC(C)(C)C)C1CNC1 643465281 352956195 /nfs/dbraw/zinc/95/61/95/352956195.db2.gz BEPHTAQMMGBXIO-SNVBAGLBSA-N 1 3 198.354 2.010 20 0 AEADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C[C@@H](C)N 643461903 352956404 /nfs/dbraw/zinc/95/64/04/352956404.db2.gz IJWFQOACPIFDCB-KKOKHZNYSA-N 1 3 198.354 2.281 20 0 AEADHO CC[C@H](C)[C@@H](C)N[C@H](C)[C@@H]1CCC[NH2+]1 643463614 352956477 /nfs/dbraw/zinc/95/64/77/352956477.db2.gz OUFRRNYXAKNYLP-QCNOEVLYSA-N 1 3 198.354 2.151 20 0 AEADHO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)[C@@H]1CCCN1 643463614 352956480 /nfs/dbraw/zinc/95/64/80/352956480.db2.gz OUFRRNYXAKNYLP-QCNOEVLYSA-N 1 3 198.354 2.151 20 0 AEADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C[C@H](C)N 643461906 352956533 /nfs/dbraw/zinc/95/65/33/352956533.db2.gz IJWFQOACPIFDCB-YFKTTZPYSA-N 1 3 198.354 2.281 20 0 AEADHO CC[C@H](C)[C@@H](C)N[C@@H](C)[C@H]1CCC[NH2+]1 643463616 352956558 /nfs/dbraw/zinc/95/65/58/352956558.db2.gz OUFRRNYXAKNYLP-WHOHXGKFSA-N 1 3 198.354 2.151 20 0 AEADHO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)[C@H]1CCCN1 643463616 352956562 /nfs/dbraw/zinc/95/65/62/352956562.db2.gz OUFRRNYXAKNYLP-WHOHXGKFSA-N 1 3 198.354 2.151 20 0 AEADHO C[C@H]([NH2+]CCCC(C)(C)C)C1CNC1 643465280 352956601 /nfs/dbraw/zinc/95/66/01/352956601.db2.gz BEPHTAQMMGBXIO-JTQLQIEISA-N 1 3 198.354 2.010 20 0 AEADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C[C@@H](C)N 643461904 352956616 /nfs/dbraw/zinc/95/66/16/352956616.db2.gz IJWFQOACPIFDCB-KXNHARMFSA-N 1 3 198.354 2.281 20 0 AEADHO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)C1CNC1 643465534 352956640 /nfs/dbraw/zinc/95/66/40/352956640.db2.gz GDNAWSGOPYDMHR-AXFHLTTASA-N 1 3 198.354 2.009 20 0 AEADHO CC[C@H](C)[C@@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]1 643463615 352956648 /nfs/dbraw/zinc/95/66/48/352956648.db2.gz OUFRRNYXAKNYLP-USZNOCQGSA-N 1 3 198.354 2.151 20 0 AEADHO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCCN1 643463615 352956649 /nfs/dbraw/zinc/95/66/49/352956649.db2.gz OUFRRNYXAKNYLP-USZNOCQGSA-N 1 3 198.354 2.151 20 0 AEADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C[C@H](C)N 643461905 352956667 /nfs/dbraw/zinc/95/66/67/352956667.db2.gz IJWFQOACPIFDCB-QCNOEVLYSA-N 1 3 198.354 2.281 20 0 AEADHO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)C1CNC1 643465536 352956737 /nfs/dbraw/zinc/95/67/37/352956737.db2.gz GDNAWSGOPYDMHR-GARJFASQSA-N 1 3 198.354 2.009 20 0 AEADHO CCCC1(C[NH2+][C@H](C)C[C@@H](C)N)CC1 643467058 352957021 /nfs/dbraw/zinc/95/70/21/352957021.db2.gz WRMQXKTZEHTVQN-GHMZBOCLSA-N 1 3 198.354 2.282 20 0 AEADHO CCCC1(C[NH2+][C@H](C)C[C@H](C)N)CC1 643467061 352957135 /nfs/dbraw/zinc/95/71/35/352957135.db2.gz WRMQXKTZEHTVQN-WDEREUQCSA-N 1 3 198.354 2.282 20 0 AEADHO CCCC1(C[NH2+][C@@H](C)C[C@@H](C)N)CC1 643467059 352957286 /nfs/dbraw/zinc/95/72/86/352957286.db2.gz WRMQXKTZEHTVQN-MNOVXSKESA-N 1 3 198.354 2.282 20 0 AEADHO CC(C)C1(C[NH2+][C@@H](C)C[C@@H](C)N)CC1 643466313 352957377 /nfs/dbraw/zinc/95/73/77/352957377.db2.gz ZNAAJVDDPJGFOV-MNOVXSKESA-N 1 3 198.354 2.138 20 0 AEADHO CC(C)C1(C[NH2+][C@H](C)C[C@H](C)N)CC1 643466315 352957385 /nfs/dbraw/zinc/95/73/85/352957385.db2.gz ZNAAJVDDPJGFOV-WDEREUQCSA-N 1 3 198.354 2.138 20 0 AEADHO CCCC1(C[NH2+][C@@H](C)C[C@H](C)N)CC1 643467060 352957473 /nfs/dbraw/zinc/95/74/73/352957473.db2.gz WRMQXKTZEHTVQN-QWRGUYRKSA-N 1 3 198.354 2.282 20 0 AEADHO CC(C)C1(C[NH2+][C@H](C)C[C@@H](C)N)CC1 643466312 352957463 /nfs/dbraw/zinc/95/74/63/352957463.db2.gz ZNAAJVDDPJGFOV-GHMZBOCLSA-N 1 3 198.354 2.138 20 0 AEADHO CC(C)C1(C[NH2+][C@@H](C)C[C@H](C)N)CC1 643466314 352957538 /nfs/dbraw/zinc/95/75/38/352957538.db2.gz ZNAAJVDDPJGFOV-QWRGUYRKSA-N 1 3 198.354 2.138 20 0 AEADHO C[C@@H](C[C@@H](C)N)[NH2+][C@H]1CC[C@H](C)CC1 643469022 352957836 /nfs/dbraw/zinc/95/78/36/352957836.db2.gz CHQYOGPXAUHARA-WISYIIOYSA-N 1 3 198.354 2.281 20 0 AEADHO CCC[C@H](CC)[NH2+][C@@H](C)C[C@@H](C)N 643468662 352957853 /nfs/dbraw/zinc/95/78/53/352957853.db2.gz BOOGNTFXAWLHFS-VWYCJHECSA-N 1 3 186.343 2.281 20 0 AEADHO CCC[C@@H](CC)N[C@@H](C)[C@@H]1CCC[NH2+]1 643468669 352957886 /nfs/dbraw/zinc/95/78/86/352957886.db2.gz HFHPFOOQSRMMCU-TUAOUCFPSA-N 1 3 198.354 2.295 20 0 AEADHO CCC[C@@H](CC)[NH2+][C@@H](C)[C@@H]1CCCN1 643468669 352957887 /nfs/dbraw/zinc/95/78/87/352957887.db2.gz HFHPFOOQSRMMCU-TUAOUCFPSA-N 1 3 198.354 2.295 20 0 AEADHO C[C@H](N)C[C@@H](C)[NH2+][C@H]1CC[C@H](C)CC1 643469023 352957893 /nfs/dbraw/zinc/95/78/93/352957893.db2.gz CHQYOGPXAUHARA-YFKTTZPYSA-N 1 3 198.354 2.281 20 0 AEADHO CCC[C@@H](CC)N[C@H](C)[C@H]1CCC[NH2+]1 643468667 352957898 /nfs/dbraw/zinc/95/78/98/352957898.db2.gz HFHPFOOQSRMMCU-IJLUTSLNSA-N 1 3 198.354 2.295 20 0 AEADHO CCC[C@@H](CC)N[C@H](C)[C@@H]1CCC[NH2+]1 643468670 352957924 /nfs/dbraw/zinc/95/79/24/352957924.db2.gz HFHPFOOQSRMMCU-UTUOFQBUSA-N 1 3 198.354 2.295 20 0 AEADHO CCC[C@@H](CC)[NH2+][C@H](C)[C@@H]1CCCN1 643468670 352957926 /nfs/dbraw/zinc/95/79/26/352957926.db2.gz HFHPFOOQSRMMCU-UTUOFQBUSA-N 1 3 198.354 2.295 20 0 AEADHO CCC[C@@H](CC)[NH2+][C@@H](C)[C@H]1CCCN1 643468668 352957951 /nfs/dbraw/zinc/95/79/51/352957951.db2.gz HFHPFOOQSRMMCU-QJPTWQEYSA-N 1 3 198.354 2.295 20 0 AEADHO CCC[C@@H](CC)N[C@@H](C)[C@H]1CCC[NH2+]1 643468668 352957948 /nfs/dbraw/zinc/95/79/48/352957948.db2.gz HFHPFOOQSRMMCU-QJPTWQEYSA-N 1 3 198.354 2.295 20 0 AEADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CC[C@H](C)CC1 643469020 352958003 /nfs/dbraw/zinc/95/80/03/352958003.db2.gz CHQYOGPXAUHARA-BJDJZHNGSA-N 1 3 198.354 2.281 20 0 AEADHO C[C@@H](C[C@@H](C)N)[NH2+]CCC(C)(C)C 643467393 352958013 /nfs/dbraw/zinc/95/80/13/352958013.db2.gz UAPXNRKKZCJFNV-ZJUUUORDSA-N 1 3 186.343 2.138 20 0 AEADHO CCC[C@H](CC)[NH2+][C@H](C)C[C@H](C)N 643468659 352958057 /nfs/dbraw/zinc/95/80/57/352958057.db2.gz BOOGNTFXAWLHFS-AXFHLTTASA-N 1 3 186.343 2.281 20 0 AEADHO C[C@H](N)C[C@@H](C)[NH2+]CC1(C)CCCC1 643469047 352958063 /nfs/dbraw/zinc/95/80/63/352958063.db2.gz JNSIGXINVMOVLA-WDEREUQCSA-N 1 3 198.354 2.282 20 0 AEADHO C[C@H](N)C[C@H](C)[NH2+]CC1(C)CCCC1 643469046 352958121 /nfs/dbraw/zinc/95/81/21/352958121.db2.gz JNSIGXINVMOVLA-QWRGUYRKSA-N 1 3 198.354 2.282 20 0 AEADHO CCC[C@H](CC)[NH2+][C@@H](C)C[C@H](C)N 643468660 352958156 /nfs/dbraw/zinc/95/81/56/352958156.db2.gz BOOGNTFXAWLHFS-DCAQKATOSA-N 1 3 186.343 2.281 20 0 AEADHO C[C@H](N)C[C@@H](C)[NH2+]CCC(C)(C)C 643467392 352958237 /nfs/dbraw/zinc/95/82/37/352958237.db2.gz UAPXNRKKZCJFNV-VHSXEESVSA-N 1 3 186.343 2.138 20 0 AEADHO C[C@H](N)C[C@H](C)[NH2+]CCC(C)(C)C 643467391 352958263 /nfs/dbraw/zinc/95/82/63/352958263.db2.gz UAPXNRKKZCJFNV-UWVGGRQHSA-N 1 3 186.343 2.138 20 0 AEADHO C[C@@H](N)C[C@@H](C)[NH2+]CCC(C)(C)C 643467390 352958272 /nfs/dbraw/zinc/95/82/72/352958272.db2.gz UAPXNRKKZCJFNV-NXEZZACHSA-N 1 3 186.343 2.138 20 0 AEADHO CCC[C@H](CC)[NH2+][C@H](C)C[C@@H](C)N 643468661 352958278 /nfs/dbraw/zinc/95/82/78/352958278.db2.gz BOOGNTFXAWLHFS-MXWKQRLJSA-N 1 3 186.343 2.281 20 0 AEADHO C[C@H](N)C[C@@H](C)[NH2+]C[C@H]1CC=CCC1 643472205 352959924 /nfs/dbraw/zinc/95/99/24/352959924.db2.gz HGVQKBWFADGXEA-TUAOUCFPSA-N 1 3 196.338 2.058 20 0 AEADHO C[C@H](N)C[C@@H](C)[NH2+]C[C@@H]1CC=CCC1 643472202 352959978 /nfs/dbraw/zinc/95/99/78/352959978.db2.gz HGVQKBWFADGXEA-QJPTWQEYSA-N 1 3 196.338 2.058 20 0 AEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CC=CCC1 643472203 352960017 /nfs/dbraw/zinc/96/00/17/352960017.db2.gz HGVQKBWFADGXEA-SDDRHHMPSA-N 1 3 196.338 2.058 20 0 AEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1CC=CCC1 643472204 352960104 /nfs/dbraw/zinc/96/01/04/352960104.db2.gz HGVQKBWFADGXEA-SRVKXCTJSA-N 1 3 196.338 2.058 20 0 AEADHO CC1(C)C[C@@H]1N[C@@H]1CCCCC[C@H]1[NH3+] 643478377 352960609 /nfs/dbraw/zinc/96/06/09/352960609.db2.gz NHULGSURARJEGW-MXWKQRLJSA-N 1 3 196.338 2.035 20 0 AEADHO CC1(C)C[C@@H]1N[C@H]1CCCCC[C@H]1[NH3+] 643478378 352960729 /nfs/dbraw/zinc/96/07/29/352960729.db2.gz NHULGSURARJEGW-VWYCJHECSA-N 1 3 196.338 2.035 20 0 AEADHO CC1(C)C[C@@H]1N[C@H]1CCCCC[C@@H]1[NH3+] 643478376 352960840 /nfs/dbraw/zinc/96/08/40/352960840.db2.gz NHULGSURARJEGW-DCAQKATOSA-N 1 3 196.338 2.035 20 0 AEADHO CC1(C)C[C@@H]1N[C@@H]1CCCCC[C@@H]1[NH3+] 643478375 352960983 /nfs/dbraw/zinc/96/09/83/352960983.db2.gz NHULGSURARJEGW-AXFHLTTASA-N 1 3 196.338 2.035 20 0 AEADHO C[C@H](N)C[C@H](C)[NH2+][C@H](C)CCC1CC1 643481914 352961751 /nfs/dbraw/zinc/96/17/51/352961751.db2.gz ZAKLHEAHMICVAK-AXFHLTTASA-N 1 3 198.354 2.281 20 0 AEADHO C[C@H](N)C[C@@H](C)[NH2+]CC1CC(C)(C)C1 643483107 352961778 /nfs/dbraw/zinc/96/17/78/352961778.db2.gz CRMNAZNHRXWZPC-VHSXEESVSA-N 1 3 198.354 2.138 20 0 AEADHO C[C@H](N)C[C@@H](C)[NH2+][C@@H](C)CCC1CC1 643481916 352961818 /nfs/dbraw/zinc/96/18/18/352961818.db2.gz ZAKLHEAHMICVAK-GARJFASQSA-N 1 3 198.354 2.281 20 0 AEADHO C[C@H](N)C[C@@H](C)[NH2+][C@H](C)CCC1CC1 643481917 352961891 /nfs/dbraw/zinc/96/18/91/352961891.db2.gz ZAKLHEAHMICVAK-HBNTYKKESA-N 1 3 198.354 2.281 20 0 AEADHO C[C@@H](C[C@@H](C)N)[NH2+]CC1CC(C)(C)C1 643483108 352961842 /nfs/dbraw/zinc/96/18/42/352961842.db2.gz CRMNAZNHRXWZPC-ZJUUUORDSA-N 1 3 198.354 2.138 20 0 AEADHO C[C@H](N)C[C@H](C)[NH2+]CC1CC(C)(C)C1 643483106 352961887 /nfs/dbraw/zinc/96/18/87/352961887.db2.gz CRMNAZNHRXWZPC-UWVGGRQHSA-N 1 3 198.354 2.138 20 0 AEADHO C[C@H](N)C[C@H](C)[NH2+][C@@H](C)CCC1CC1 643481915 352962005 /nfs/dbraw/zinc/96/20/05/352962005.db2.gz ZAKLHEAHMICVAK-DCAQKATOSA-N 1 3 198.354 2.281 20 0 AEADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1CC(C)(C)C1 643483105 352962035 /nfs/dbraw/zinc/96/20/35/352962035.db2.gz CRMNAZNHRXWZPC-NXEZZACHSA-N 1 3 198.354 2.138 20 0 AEADHO CC(C)=CCC[NH2+][C@@H](C)C[C@H](C)N 643484494 352962521 /nfs/dbraw/zinc/96/25/21/352962521.db2.gz GAVWWVTYCZWXGD-QWRGUYRKSA-N 1 3 184.327 2.058 20 0 AEADHO CCC(C)(C)C[NH2+][C@@H](C)C[C@@H](C)N 643485178 352962657 /nfs/dbraw/zinc/96/26/57/352962657.db2.gz OMHLTWORMYYWOU-ZJUUUORDSA-N 1 3 186.343 2.138 20 0 AEADHO CCC(C)(C)C[NH2+][C@@H](C)C[C@H](C)N 643485176 352962690 /nfs/dbraw/zinc/96/26/90/352962690.db2.gz OMHLTWORMYYWOU-UWVGGRQHSA-N 1 3 186.343 2.138 20 0 AEADHO CCC(C)(C)C[NH2+][C@H](C)C[C@H](C)N 643485177 352962709 /nfs/dbraw/zinc/96/27/09/352962709.db2.gz OMHLTWORMYYWOU-VHSXEESVSA-N 1 3 186.343 2.138 20 0 AEADHO CC(C)=CCC[NH2+][C@H](C)C[C@@H](C)N 643484492 352962784 /nfs/dbraw/zinc/96/27/84/352962784.db2.gz GAVWWVTYCZWXGD-GHMZBOCLSA-N 1 3 184.327 2.058 20 0 AEADHO CC(C)=CCC[NH2+][C@@H](C)C[C@@H](C)N 643484493 352962868 /nfs/dbraw/zinc/96/28/68/352962868.db2.gz GAVWWVTYCZWXGD-MNOVXSKESA-N 1 3 184.327 2.058 20 0 AEADHO CC(C)=CCC[NH2+][C@H](C)C[C@H](C)N 643484495 352962911 /nfs/dbraw/zinc/96/29/11/352962911.db2.gz GAVWWVTYCZWXGD-WDEREUQCSA-N 1 3 184.327 2.058 20 0 AEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1CC[C@@H](C)C1 643487022 352963389 /nfs/dbraw/zinc/96/33/89/352963389.db2.gz WRZVHVVCRDCJFD-RHYQMDGZSA-N 1 3 198.354 2.138 20 0 AEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1CCC[C@H]1C 643487873 352963490 /nfs/dbraw/zinc/96/34/90/352963490.db2.gz SZWKXPCKVWDQBH-NOOOWODRSA-N 1 3 198.354 2.138 20 0 AEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]1C 643487871 352963539 /nfs/dbraw/zinc/96/35/39/352963539.db2.gz SZWKXPCKVWDQBH-BJDJZHNGSA-N 1 3 198.354 2.138 20 0 AEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CCC[C@H]1C 643487874 352963594 /nfs/dbraw/zinc/96/35/94/352963594.db2.gz SZWKXPCKVWDQBH-RHYQMDGZSA-N 1 3 198.354 2.138 20 0 AEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CC[C@H](C)C1 643487020 352963652 /nfs/dbraw/zinc/96/36/52/352963652.db2.gz WRZVHVVCRDCJFD-FIQHERPVSA-N 1 3 198.354 2.138 20 0 AEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1CC[C@H](C)C1 643487019 352963655 /nfs/dbraw/zinc/96/36/55/352963655.db2.gz WRZVHVVCRDCJFD-BJDJZHNGSA-N 1 3 198.354 2.138 20 0 AEADHO CC(C)=CCC[C@@H](C)[NH2+][C@H]1CCNC1 643492022 352965183 /nfs/dbraw/zinc/96/51/83/352965183.db2.gz JVOXRXOYIYFBAL-NEPJUHHUSA-N 1 3 196.338 2.073 20 0 AEADHO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCNC1 643492027 352965313 /nfs/dbraw/zinc/96/53/13/352965313.db2.gz JVOXRXOYIYFBAL-RYUDHWBXSA-N 1 3 196.338 2.073 20 0 AEADHO C[C@H]([NH3+])C[C@@H](C)NCC1=CCCCC1 643491478 352965615 /nfs/dbraw/zinc/96/56/15/352965615.db2.gz GKWAYTNJCCNREP-WDEREUQCSA-N 1 3 196.338 2.202 20 0 AEADHO C[C@@H](C[C@@H](C)[NH3+])NCC1=CCCCC1 643491476 352965442 /nfs/dbraw/zinc/96/54/42/352965442.db2.gz GKWAYTNJCCNREP-MNOVXSKESA-N 1 3 196.338 2.202 20 0 AEADHO C[C@H]([NH3+])C[C@H](C)NCC1=CCCCC1 643491477 352965451 /nfs/dbraw/zinc/96/54/51/352965451.db2.gz GKWAYTNJCCNREP-QWRGUYRKSA-N 1 3 196.338 2.202 20 0 AEADHO C[C@@H]([NH3+])C[C@@H](C)NCC1=CCCCC1 643491475 352965498 /nfs/dbraw/zinc/96/54/98/352965498.db2.gz GKWAYTNJCCNREP-GHMZBOCLSA-N 1 3 196.338 2.202 20 0 AEADHO CC/C=C/C[NH2+][C@@H](C)[C@@H]1CCCCN1 643492407 352966047 /nfs/dbraw/zinc/96/60/47/352966047.db2.gz NKOSZLBULOWWIO-JZYUNNQISA-N 1 3 196.338 2.073 20 0 AEADHO CC/C=C\C[NH2+][C@@H](C)[C@@H]1CCCCN1 643492410 352966364 /nfs/dbraw/zinc/96/63/64/352966364.db2.gz NKOSZLBULOWWIO-XSCYXQHBSA-N 1 3 196.338 2.073 20 0 AEADHO CC/C=C/C[NH2+][C@@H](C)[C@H]1CCCCN1 643492408 352966405 /nfs/dbraw/zinc/96/64/05/352966405.db2.gz NKOSZLBULOWWIO-SJCWFQRBSA-N 1 3 196.338 2.073 20 0 AEADHO CCC[C@H]([NH2+][C@H]1CCNC1)C(C)(C)C 643492405 352966437 /nfs/dbraw/zinc/96/64/37/352966437.db2.gz NCTXADHGWOQJPV-QWRGUYRKSA-N 1 3 198.354 2.153 20 0 AEADHO CCC[C@@H]([NH2+][C@H]1CCNC1)C(C)(C)C 643492406 352966453 /nfs/dbraw/zinc/96/64/53/352966453.db2.gz NCTXADHGWOQJPV-WDEREUQCSA-N 1 3 198.354 2.153 20 0 AEADHO CC/C=C\C[NH2+][C@@H](C)[C@H]1CCCCN1 643492409 352966508 /nfs/dbraw/zinc/96/65/08/352966508.db2.gz NKOSZLBULOWWIO-XEGQIGPUSA-N 1 3 196.338 2.073 20 0 AEADHO CCC[C@@H]([NH2+][C@@H]1CCNC1)C(C)(C)C 643492403 352966539 /nfs/dbraw/zinc/96/65/39/352966539.db2.gz NCTXADHGWOQJPV-GHMZBOCLSA-N 1 3 198.354 2.153 20 0 AEADHO CCC[C@H]([NH2+][C@@H]1CCNC1)C(C)(C)C 643492404 352966647 /nfs/dbraw/zinc/96/66/47/352966647.db2.gz NCTXADHGWOQJPV-MNOVXSKESA-N 1 3 198.354 2.153 20 0 AEADHO C[C@H](CC(C)(C)C)[NH2+][C@H](C)C1CNC1 643493960 352967892 /nfs/dbraw/zinc/96/78/92/352967892.db2.gz RYGYLTHJBQFJSF-NXEZZACHSA-N 1 3 198.354 2.009 20 0 AEADHO C[C@@H](CC(C)(C)C)[NH2+][C@H](C)C1CNC1 643493962 352967937 /nfs/dbraw/zinc/96/79/37/352967937.db2.gz RYGYLTHJBQFJSF-VHSXEESVSA-N 1 3 198.354 2.009 20 0 AEADHO C[C@H]([NH2+][C@H](C)CC(C)(C)C)C1CNC1 643493963 352967945 /nfs/dbraw/zinc/96/79/45/352967945.db2.gz RYGYLTHJBQFJSF-ZJUUUORDSA-N 1 3 198.354 2.009 20 0 AEADHO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H](C)C[C@@H](C)N 643494441 352968110 /nfs/dbraw/zinc/96/81/10/352968110.db2.gz ACQCYXCYOPPECQ-WRWGMCAJSA-N 1 3 198.354 2.136 20 0 AEADHO CC(C)C[C@@H]1C[C@H]1N[C@@H](C)C[C@@H](C)[NH3+] 643494441 352968113 /nfs/dbraw/zinc/96/81/13/352968113.db2.gz ACQCYXCYOPPECQ-WRWGMCAJSA-N 1 3 198.354 2.136 20 0 AEADHO C[C@@H](CC(C)(C)C)[NH2+][C@@H](C)C1CNC1 643493961 352968306 /nfs/dbraw/zinc/96/83/06/352968306.db2.gz RYGYLTHJBQFJSF-UWVGGRQHSA-N 1 3 198.354 2.009 20 0 AEADHO CC(C)C[C@@H]1C[C@H]1[NH2+][C@H](C)C[C@H](C)N 643494439 352968312 /nfs/dbraw/zinc/96/83/12/352968312.db2.gz ACQCYXCYOPPECQ-IRCOFANPSA-N 1 3 198.354 2.136 20 0 AEADHO CC(C)C[C@@H]1C[C@H]1N[C@H](C)C[C@H](C)[NH3+] 643494439 352968316 /nfs/dbraw/zinc/96/83/16/352968316.db2.gz ACQCYXCYOPPECQ-IRCOFANPSA-N 1 3 198.354 2.136 20 0 AEADHO CC(C)C[C@@H]1C[C@H]1[NH2+][C@H](C)C[C@@H](C)N 643494438 352968536 /nfs/dbraw/zinc/96/85/36/352968536.db2.gz ACQCYXCYOPPECQ-DDHJBXDOSA-N 1 3 198.354 2.136 20 0 AEADHO CC(C)C[C@@H]1C[C@H]1N[C@H](C)C[C@@H](C)[NH3+] 643494438 352968538 /nfs/dbraw/zinc/96/85/38/352968538.db2.gz ACQCYXCYOPPECQ-DDHJBXDOSA-N 1 3 198.354 2.136 20 0 AEADHO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H](C)C[C@H](C)N 643494440 352968629 /nfs/dbraw/zinc/96/86/29/352968629.db2.gz ACQCYXCYOPPECQ-NNYUYHANSA-N 1 3 198.354 2.136 20 0 AEADHO CC(C)C[C@@H]1C[C@H]1N[C@@H](C)C[C@H](C)[NH3+] 643494440 352968633 /nfs/dbraw/zinc/96/86/33/352968633.db2.gz ACQCYXCYOPPECQ-NNYUYHANSA-N 1 3 198.354 2.136 20 0 AEADHO CCC(C)(C)[C@@H](C)[NH2+]C1CCNCC1 643496256 352970177 /nfs/dbraw/zinc/97/01/77/352970177.db2.gz GVZACCLAUHNFPE-SNVBAGLBSA-N 1 3 198.354 2.153 20 0 AEADHO CCC(C)(C)[C@H](C)[NH2+]C1CCNCC1 643496255 352970243 /nfs/dbraw/zinc/97/02/43/352970243.db2.gz GVZACCLAUHNFPE-JTQLQIEISA-N 1 3 198.354 2.153 20 0 AEADHO CNCCC[NH2+][C@@H]1[C@@H](C)CCC[C@H]1C 643498353 352970947 /nfs/dbraw/zinc/97/09/47/352970947.db2.gz BAKLFTZNALVSIL-GDNZZTSVSA-N 1 3 198.354 2.010 20 0 AEADHO CNCCC[NH2+]C1[C@@H](C)CCC[C@@H]1C 643498355 352971010 /nfs/dbraw/zinc/97/10/10/352971010.db2.gz BAKLFTZNALVSIL-QWRGUYRKSA-N 1 3 198.354 2.010 20 0 AEADHO CNCCC[NH2+]C1[C@H](C)CCC[C@H]1C 643498354 352971121 /nfs/dbraw/zinc/97/11/21/352971121.db2.gz BAKLFTZNALVSIL-GHMZBOCLSA-N 1 3 198.354 2.010 20 0 AEADHO CCC[C@H]([NH2+]CCCNC)C1CCC1 643498607 352972003 /nfs/dbraw/zinc/97/20/03/352972003.db2.gz LBYFTEUGSKMHHX-LBPRGKRZSA-N 1 3 198.354 2.154 20 0 AEADHO CC[C@H]1CCCC[C@@H]1[NH2+]CCCNC 643498490 352972038 /nfs/dbraw/zinc/97/20/38/352972038.db2.gz JQAJYRHZAISRAD-RYUDHWBXSA-N 1 3 198.354 2.154 20 0 AEADHO CC[C@H]([NH2+]CCCNC)C1CCCC1 643498563 352972043 /nfs/dbraw/zinc/97/20/43/352972043.db2.gz CBDHUDSHNXQBOT-LBPRGKRZSA-N 1 3 198.354 2.154 20 0 AEADHO CNCCC[NH2+][C@@H]1CCCC(C)(C)C1 643498484 352972053 /nfs/dbraw/zinc/97/20/53/352972053.db2.gz IYDDVSSCQLFGJM-LLVKDONJSA-N 1 3 198.354 2.154 20 0 AEADHO CNCCC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C 643498598 352972102 /nfs/dbraw/zinc/97/21/02/352972102.db2.gz JGFHSVMRSWEYTD-QJPTWQEYSA-N 1 3 198.354 2.010 20 0 AEADHO CNCCC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C 643498526 352972146 /nfs/dbraw/zinc/97/21/46/352972146.db2.gz QPTXPDHINOPFJB-WDEREUQCSA-N 1 3 198.354 2.010 20 0 AEADHO CNCCC[NH2+][C@@H]1CC(C)(C)C[C@H]1C 643498523 352972159 /nfs/dbraw/zinc/97/21/59/352972159.db2.gz QPTXPDHINOPFJB-GHMZBOCLSA-N 1 3 198.354 2.010 20 0 AEADHO CNCCC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C 643498599 352972173 /nfs/dbraw/zinc/97/21/73/352972173.db2.gz JGFHSVMRSWEYTD-SDDRHHMPSA-N 1 3 198.354 2.010 20 0 AEADHO CNCCC[NH2+][C@H]1CC(C)(C)C[C@H]1C 643498524 352972199 /nfs/dbraw/zinc/97/21/99/352972199.db2.gz QPTXPDHINOPFJB-MNOVXSKESA-N 1 3 198.354 2.010 20 0 AEADHO CNCCC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C 643498597 352972208 /nfs/dbraw/zinc/97/22/08/352972208.db2.gz JGFHSVMRSWEYTD-IJLUTSLNSA-N 1 3 198.354 2.010 20 0 AEADHO CC[C@@H]1CCCC[C@H]1[NH2+]CCCNC 643498491 352972317 /nfs/dbraw/zinc/97/23/17/352972317.db2.gz JQAJYRHZAISRAD-VXGBXAGGSA-N 1 3 198.354 2.154 20 0 AEADHO CNCCC[NH2+][C@H]1CC(C)(C)C[C@@H]1C 643498525 352972338 /nfs/dbraw/zinc/97/23/38/352972338.db2.gz QPTXPDHINOPFJB-QWRGUYRKSA-N 1 3 198.354 2.010 20 0 AEADHO CNCCC[NH2+][C@H]1CCCC(C)(C)C1 643498485 352972364 /nfs/dbraw/zinc/97/23/64/352972364.db2.gz IYDDVSSCQLFGJM-NSHDSACASA-N 1 3 198.354 2.154 20 0 AEADHO CCNCCC[NH2+][C@@H](C(C)C)C1CC1 643499108 352972771 /nfs/dbraw/zinc/97/27/71/352972771.db2.gz UZSGCPCIAPDTRR-LBPRGKRZSA-N 1 3 198.354 2.010 20 0 AEADHO CCNCCC[NH2+][C@@H]1CCCC[C@@H]1C 643498811 352972778 /nfs/dbraw/zinc/97/27/78/352972778.db2.gz CEBYFHYAZXFWTC-NWDGAFQWSA-N 1 3 198.354 2.154 20 0 AEADHO CCNCCC[NH2+][C@H]1CCCC[C@@H]1C 643498812 352972796 /nfs/dbraw/zinc/97/27/96/352972796.db2.gz CEBYFHYAZXFWTC-RYUDHWBXSA-N 1 3 198.354 2.154 20 0 AEADHO CCNCCC[NH2+][C@@H](C)CC1CCC1 643498884 352972966 /nfs/dbraw/zinc/97/29/66/352972966.db2.gz QRQSFQVTUVWYKB-NSHDSACASA-N 1 3 198.354 2.154 20 0 AEADHO CCNCCC[NH2+][C@@H]1CCCC[C@H]1C 643498813 352972829 /nfs/dbraw/zinc/97/28/29/352972829.db2.gz CEBYFHYAZXFWTC-VXGBXAGGSA-N 1 3 198.354 2.154 20 0 AEADHO CCNCCC[NH2+][C@H]1CCCC1(C)C 643498913 352972855 /nfs/dbraw/zinc/97/28/55/352972855.db2.gz VSRSARITYHYZTR-NSHDSACASA-N 1 3 198.354 2.154 20 0 AEADHO CCC[C@H](CC)[NH2+]CCCNCC 643499058 352972860 /nfs/dbraw/zinc/97/28/60/352972860.db2.gz PSOBHKZGHPIJDG-NSHDSACASA-N 1 3 186.343 2.154 20 0 AEADHO CCNCCC[NH2+][C@@H]1CCC[C@@H]1CC 643499088 352972871 /nfs/dbraw/zinc/97/28/71/352972871.db2.gz SIXSRVYRHKTTNN-NWDGAFQWSA-N 1 3 198.354 2.154 20 0 AEADHO CCNCCC[NH2+][C@H](C(C)C)C1CC1 643499107 352972912 /nfs/dbraw/zinc/97/29/12/352972912.db2.gz UZSGCPCIAPDTRR-GFCCVEGCSA-N 1 3 198.354 2.010 20 0 AEADHO CCNCCC[NH2+][C@H](C)C1CCCC1 643498851 352972935 /nfs/dbraw/zinc/97/29/35/352972935.db2.gz LVBWZBWHHVOIRJ-LLVKDONJSA-N 1 3 198.354 2.154 20 0 AEADHO CCNCCC[NH2+][C@@H](C)C1CCCC1 643498852 352972946 /nfs/dbraw/zinc/97/29/46/352972946.db2.gz LVBWZBWHHVOIRJ-NSHDSACASA-N 1 3 198.354 2.154 20 0 AEADHO CCNCCC[NH2+][C@H]1CCCC[C@H]1C 643498810 352972950 /nfs/dbraw/zinc/97/29/50/352972950.db2.gz CEBYFHYAZXFWTC-NEPJUHHUSA-N 1 3 198.354 2.154 20 0 AEADHO CCNCCC[NH2+][C@H](CC)C(C)C 643498733 352972957 /nfs/dbraw/zinc/97/29/57/352972957.db2.gz MQFOFLIRDFKIIR-LLVKDONJSA-N 1 3 186.343 2.010 20 0 AEADHO CCNCCC[NH2+][C@@H]1CCC[C@H]1CC 643499090 352972979 /nfs/dbraw/zinc/97/29/79/352972979.db2.gz SIXSRVYRHKTTNN-VXGBXAGGSA-N 1 3 198.354 2.154 20 0 AEADHO CCC(C)(C)[C@H](C)[NH2+]CCCNC 643498638 352972998 /nfs/dbraw/zinc/97/29/98/352972998.db2.gz PENSAXIHTCKLFI-JTQLQIEISA-N 1 3 186.343 2.010 20 0 AEADHO CCNCCC[NH2+][C@H](C)C(C)(C)C 643498940 352973006 /nfs/dbraw/zinc/97/30/06/352973006.db2.gz YJKPXRDDRYVFAV-SNVBAGLBSA-N 1 3 186.343 2.010 20 0 AEADHO CCNCCC[NH2+][C@H](C)CC1CCC1 643498883 352973033 /nfs/dbraw/zinc/97/30/33/352973033.db2.gz QRQSFQVTUVWYKB-LLVKDONJSA-N 1 3 198.354 2.154 20 0 AEADHO CCNCCC[NH2+][C@H]1CCC[C@H]1CC 643499087 352973037 /nfs/dbraw/zinc/97/30/37/352973037.db2.gz SIXSRVYRHKTTNN-NEPJUHHUSA-N 1 3 198.354 2.154 20 0 AEADHO CCNCCC[NH2+][C@H]1CCC[C@@H]1CC 643499089 352973070 /nfs/dbraw/zinc/97/30/70/352973070.db2.gz SIXSRVYRHKTTNN-RYUDHWBXSA-N 1 3 198.354 2.154 20 0 AEADHO CCNCCC[NH2+][C@@H]1CCCC1(C)C 643498912 352973083 /nfs/dbraw/zinc/97/30/83/352973083.db2.gz VSRSARITYHYZTR-LLVKDONJSA-N 1 3 198.354 2.154 20 0 AEADHO CCNCCC[NH2+][C@@H]1CCC[C@@H](C)C1 643498905 352973094 /nfs/dbraw/zinc/97/30/94/352973094.db2.gz UVIWCAUXOQGFAT-VXGBXAGGSA-N 1 3 198.354 2.154 20 0 AEADHO CCC(C)(C)[C@@H](C)[NH2+]CCCNC 643498639 352973112 /nfs/dbraw/zinc/97/31/12/352973112.db2.gz PENSAXIHTCKLFI-SNVBAGLBSA-N 1 3 186.343 2.010 20 0 AEADHO CCNCCC[NH2+][C@@H](C)C(C)(C)C 643498939 352973127 /nfs/dbraw/zinc/97/31/27/352973127.db2.gz YJKPXRDDRYVFAV-JTQLQIEISA-N 1 3 186.343 2.010 20 0 AEADHO CCNCCC[NH2+][C@@H]1CCC[C@H](C)C1 643498903 352973134 /nfs/dbraw/zinc/97/31/34/352973134.db2.gz UVIWCAUXOQGFAT-NWDGAFQWSA-N 1 3 198.354 2.154 20 0 AEADHO CCC[C@@H](CC)[NH2+]CCCNCC 643499057 352973140 /nfs/dbraw/zinc/97/31/40/352973140.db2.gz PSOBHKZGHPIJDG-LLVKDONJSA-N 1 3 186.343 2.154 20 0 AEADHO CCNCCC[NH2+][C@@H](CC)C(C)C 643498734 352973177 /nfs/dbraw/zinc/97/31/77/352973177.db2.gz MQFOFLIRDFKIIR-NSHDSACASA-N 1 3 186.343 2.010 20 0 AEADHO CCNCCC[NH2+][C@H]1CCC[C@H](C)C1 643498904 352973234 /nfs/dbraw/zinc/97/32/34/352973234.db2.gz UVIWCAUXOQGFAT-RYUDHWBXSA-N 1 3 198.354 2.154 20 0 AEADHO CCNCCC[NH2+][C@H]1CCC[C@@H](C)C1 643498902 352973282 /nfs/dbraw/zinc/97/32/82/352973282.db2.gz UVIWCAUXOQGFAT-NEPJUHHUSA-N 1 3 198.354 2.154 20 0 AEADHO CCNCCC[NH2+][C@H](CC)[C@@H]1C[C@H]1C 643499280 352973704 /nfs/dbraw/zinc/97/37/04/352973704.db2.gz VKULZLYSGLWKKH-IJLUTSLNSA-N 1 3 198.354 2.010 20 0 AEADHO CCNCCC[NH2+][C@H](CC)[C@@H]1C[C@@H]1C 643499281 352973759 /nfs/dbraw/zinc/97/37/59/352973759.db2.gz VKULZLYSGLWKKH-QJPTWQEYSA-N 1 3 198.354 2.010 20 0 AEADHO CCC[C@H](C)[C@@H](CC)[NH2+][C@H]1CCNC1 643499801 352973983 /nfs/dbraw/zinc/97/39/83/352973983.db2.gz PQJBMHGDQGCODL-SDDRHHMPSA-N 1 3 198.354 2.153 20 0 AEADHO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CCNC1 643499802 352974003 /nfs/dbraw/zinc/97/40/03/352974003.db2.gz PQJBMHGDQGCODL-SRVKXCTJSA-N 1 3 198.354 2.153 20 0 AEADHO CCNCCC[NH2+][C@H](CC)[C@H]1C[C@H]1C 643499279 352974039 /nfs/dbraw/zinc/97/40/39/352974039.db2.gz VKULZLYSGLWKKH-GRYCIOLGSA-N 1 3 198.354 2.010 20 0 AEADHO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CCNC1 643499677 352974055 /nfs/dbraw/zinc/97/40/55/352974055.db2.gz GKIDLYUSVQOVAA-SRVKXCTJSA-N 1 3 198.354 2.153 20 0 AEADHO CCNCCC[NH2+][C@@H](CC)C1CCC1 643499244 352974082 /nfs/dbraw/zinc/97/40/82/352974082.db2.gz PLILRCHUCCMSMC-LBPRGKRZSA-N 1 3 198.354 2.154 20 0 AEADHO CCCC[C@H](C)[C@@H](C)[NH2+][C@H]1CCNC1 643499678 352974262 /nfs/dbraw/zinc/97/42/62/352974262.db2.gz GKIDLYUSVQOVAA-TUAOUCFPSA-N 1 3 198.354 2.153 20 0 AEADHO CCNCCC[NH2+][C@H](CC)C1CCC1 643499243 352974271 /nfs/dbraw/zinc/97/42/71/352974271.db2.gz PLILRCHUCCMSMC-GFCCVEGCSA-N 1 3 198.354 2.154 20 0 AEADHO CCNCCC[NH2+][C@H](CC)[C@H]1C[C@@H]1C 643499282 352974316 /nfs/dbraw/zinc/97/43/16/352974316.db2.gz VKULZLYSGLWKKH-SDDRHHMPSA-N 1 3 198.354 2.010 20 0 AEADHO C[NH2+]CCN[C@@H]1CCC[C@H](C(C)C)C1 643504510 352975850 /nfs/dbraw/zinc/97/58/50/352975850.db2.gz AUUWAVDPRGZIMQ-NWDGAFQWSA-N 1 3 198.354 2.010 20 0 AEADHO C[NH2+]CCN[C@@H](CCC(C)C)C1CC1 643504540 352975973 /nfs/dbraw/zinc/97/59/73/352975973.db2.gz CYBIFERNQNYUCH-LBPRGKRZSA-N 1 3 198.354 2.010 20 0 AEADHO C[NH2+]CCN[C@@H]1CCC[C@@H](C(C)C)C1 643504512 352976067 /nfs/dbraw/zinc/97/60/67/352976067.db2.gz AUUWAVDPRGZIMQ-VXGBXAGGSA-N 1 3 198.354 2.010 20 0 AEADHO C[NH2+]CCN[C@H](CCC(C)C)C1CC1 643504539 352976158 /nfs/dbraw/zinc/97/61/58/352976158.db2.gz CYBIFERNQNYUCH-GFCCVEGCSA-N 1 3 198.354 2.010 20 0 AEADHO C[NH2+]CCN[C@H]1CCC[C@H](C(C)C)C1 643504511 352976192 /nfs/dbraw/zinc/97/61/92/352976192.db2.gz AUUWAVDPRGZIMQ-RYUDHWBXSA-N 1 3 198.354 2.010 20 0 AEADHO C[NH2+]CCN[C@H]1CCC[C@@H](C(C)C)C1 643504509 352976260 /nfs/dbraw/zinc/97/62/60/352976260.db2.gz AUUWAVDPRGZIMQ-NEPJUHHUSA-N 1 3 198.354 2.010 20 0 AEADHO C[NH2+]CCN[C@H](C)[C@H]1CCCC[C@@H]1C 643504663 352976609 /nfs/dbraw/zinc/97/66/09/352976609.db2.gz UXDMUCARWWQSCE-TUAOUCFPSA-N 1 3 198.354 2.010 20 0 AEADHO C[NH2+]CCN[C@H](C)[C@@H]1CCCC[C@@H]1C 643504662 352976680 /nfs/dbraw/zinc/97/66/80/352976680.db2.gz UXDMUCARWWQSCE-QJPTWQEYSA-N 1 3 198.354 2.010 20 0 AEADHO CCCC[C@@H](C)[C@@H](C)NCC[NH2+]C 643504607 352976803 /nfs/dbraw/zinc/97/68/03/352976803.db2.gz NNVFVVSZNCRSLT-GHMZBOCLSA-N 1 3 186.343 2.010 20 0 AEADHO CCCC[C@H](C)[C@H](C)NCC[NH2+]C 643504609 352976872 /nfs/dbraw/zinc/97/68/72/352976872.db2.gz NNVFVVSZNCRSLT-QWRGUYRKSA-N 1 3 186.343 2.010 20 0 AEADHO CCCC[C@H](C)[C@@H](C)NCC[NH2+]C 643504610 352977076 /nfs/dbraw/zinc/97/70/76/352977076.db2.gz NNVFVVSZNCRSLT-WDEREUQCSA-N 1 3 186.343 2.010 20 0 AEADHO CCCC[C@@H](C)[C@H](C)NCC[NH2+]C 643504608 352977226 /nfs/dbraw/zinc/97/72/26/352977226.db2.gz NNVFVVSZNCRSLT-MNOVXSKESA-N 1 3 186.343 2.010 20 0 AEADHO C[NH2+]CCN[C@H](C)[C@@H]1CCCC[C@H]1C 643504661 352977236 /nfs/dbraw/zinc/97/72/36/352977236.db2.gz UXDMUCARWWQSCE-IJLUTSLNSA-N 1 3 198.354 2.010 20 0 AEADHO C[NH2+]CCN[C@H](C)[C@H]1CCCC[C@H]1C 643504664 352977246 /nfs/dbraw/zinc/97/72/46/352977246.db2.gz UXDMUCARWWQSCE-UTUOFQBUSA-N 1 3 198.354 2.010 20 0 AEADHO CC[NH2+]CCN[C@H]1CCCC[C@H]1CC 643505469 352977588 /nfs/dbraw/zinc/97/75/88/352977588.db2.gz PEKRAAMHZUBAJU-NEPJUHHUSA-N 1 3 198.354 2.154 20 0 AEADHO CC[NH2+]CCN[C@@H](CC)C1CCCC1 643505510 352977604 /nfs/dbraw/zinc/97/76/04/352977604.db2.gz WULHDUWROCLCDA-LBPRGKRZSA-N 1 3 198.354 2.154 20 0 AEADHO CC[NH2+]CCN[C@@H]1CCCC[C@H]1CC 643505472 352977619 /nfs/dbraw/zinc/97/76/19/352977619.db2.gz PEKRAAMHZUBAJU-VXGBXAGGSA-N 1 3 198.354 2.154 20 0 AEADHO CC[NH2+]CCN[C@H](C)CCC=C(C)C 643505296 352977641 /nfs/dbraw/zinc/97/76/41/352977641.db2.gz FJSJPPQZYCYFDA-GFCCVEGCSA-N 1 3 198.354 2.320 20 0 AEADHO CC[NH2+]CCN[C@@H]1CC(C)(C)C[C@@H]1C 643505495 352977779 /nfs/dbraw/zinc/97/77/79/352977779.db2.gz SUCOVGODDDEVFS-WDEREUQCSA-N 1 3 198.354 2.010 20 0 AEADHO CC[NH2+]CCN[C@@H]1CCCC[C@@H]1CC 643505470 352977697 /nfs/dbraw/zinc/97/76/97/352977697.db2.gz PEKRAAMHZUBAJU-NWDGAFQWSA-N 1 3 198.354 2.154 20 0 AEADHO CC[NH2+]CCN[C@@H]1CCCC(C)(C)C1 643505251 352977705 /nfs/dbraw/zinc/97/77/05/352977705.db2.gz UHDOPFZYSJMSDO-LLVKDONJSA-N 1 3 198.354 2.154 20 0 AEADHO CCC[C@H](NCC[NH2+]CC)C1CCC1 643505445 352977712 /nfs/dbraw/zinc/97/77/12/352977712.db2.gz KKYORHZULGONJZ-LBPRGKRZSA-N 1 3 198.354 2.154 20 0 AEADHO CC[NH2+]CCN[C@@H]1CC(C)(C)C[C@H]1C 643505492 352977736 /nfs/dbraw/zinc/97/77/36/352977736.db2.gz SUCOVGODDDEVFS-GHMZBOCLSA-N 1 3 198.354 2.010 20 0 AEADHO CC[NH2+]CCN[C@H]1CCCC(C)(C)C1 643505252 352977799 /nfs/dbraw/zinc/97/77/99/352977799.db2.gz UHDOPFZYSJMSDO-NSHDSACASA-N 1 3 198.354 2.154 20 0 AEADHO CCC[C@@H](NCC[NH2+]CC)C1CCC1 643505444 352977868 /nfs/dbraw/zinc/97/78/68/352977868.db2.gz KKYORHZULGONJZ-GFCCVEGCSA-N 1 3 198.354 2.154 20 0 AEADHO CC[NH2+]CCN[C@H]1CC(C)(C)C[C@H]1C 643505493 352977937 /nfs/dbraw/zinc/97/79/37/352977937.db2.gz SUCOVGODDDEVFS-MNOVXSKESA-N 1 3 198.354 2.010 20 0 AEADHO CC[NH2+]CCN[C@H](C)C(C)(C)CC 643505468 352978012 /nfs/dbraw/zinc/97/80/12/352978012.db2.gz PDCIIGGVSTTYLA-SNVBAGLBSA-N 1 3 186.343 2.010 20 0 AEADHO CC[NH2+]CCN[C@H]1CCCC[C@@H]1CC 643505471 352978162 /nfs/dbraw/zinc/97/81/62/352978162.db2.gz PEKRAAMHZUBAJU-RYUDHWBXSA-N 1 3 198.354 2.154 20 0 AEADHO CC[NH2+]CCN[C@H]1CC(C)(C)C[C@@H]1C 643505494 352978186 /nfs/dbraw/zinc/97/81/86/352978186.db2.gz SUCOVGODDDEVFS-QWRGUYRKSA-N 1 3 198.354 2.010 20 0 AEADHO CC[NH2+]CCN[C@@H](C)C(C)(C)CC 643505467 352978244 /nfs/dbraw/zinc/97/82/44/352978244.db2.gz PDCIIGGVSTTYLA-JTQLQIEISA-N 1 3 186.343 2.010 20 0 AEADHO CC[NH2+]CCN[C@@H](C)CCC=C(C)C 643505297 352978269 /nfs/dbraw/zinc/97/82/69/352978269.db2.gz FJSJPPQZYCYFDA-LBPRGKRZSA-N 1 3 198.354 2.320 20 0 AEADHO CC[NH2+]CCN[C@@H]1C[C@@H](C)CC[C@H]1C 643505685 352978967 /nfs/dbraw/zinc/97/89/67/352978967.db2.gz UTKJQECNZGOYBW-QJPTWQEYSA-N 1 3 198.354 2.010 20 0 AEADHO CC[NH2+]CCN[C@@H]1C[C@H](C)CC[C@H]1C 643505684 352979001 /nfs/dbraw/zinc/97/90/01/352979001.db2.gz UTKJQECNZGOYBW-IJLUTSLNSA-N 1 3 198.354 2.010 20 0 AEADHO CC[NH2+]CCN[C@@H]1C[C@H](C)CC[C@@H]1C 643505683 352979110 /nfs/dbraw/zinc/97/91/10/352979110.db2.gz UTKJQECNZGOYBW-GRYCIOLGSA-N 1 3 198.354 2.010 20 0 AEADHO CC[NH2+]CCN[C@@H]1C[C@@H](C)CC[C@@H]1C 643505686 352979314 /nfs/dbraw/zinc/97/93/14/352979314.db2.gz UTKJQECNZGOYBW-SDDRHHMPSA-N 1 3 198.354 2.010 20 0 AEADHO CCC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCCN1 643506384 352979599 /nfs/dbraw/zinc/97/95/99/352979599.db2.gz UQMBDPSZEYTZDE-GHMZBOCLSA-N 1 3 198.354 2.153 20 0 AEADHO CCC(C)(C)[C@H](C)[NH2+]C[C@H]1CCCN1 643506387 352979617 /nfs/dbraw/zinc/97/96/17/352979617.db2.gz UQMBDPSZEYTZDE-WDEREUQCSA-N 1 3 198.354 2.153 20 0 AEADHO CCC[C@@H](C)[NH2+]CCCNC(C)C 643508027 352979700 /nfs/dbraw/zinc/97/97/00/352979700.db2.gz AUTQCZNJEIXDKF-LLVKDONJSA-N 1 3 186.343 2.153 20 0 AEADHO CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCCN1 643506386 352979733 /nfs/dbraw/zinc/97/97/33/352979733.db2.gz UQMBDPSZEYTZDE-QWRGUYRKSA-N 1 3 198.354 2.153 20 0 AEADHO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCCN1 643506385 352979818 /nfs/dbraw/zinc/97/98/18/352979818.db2.gz UQMBDPSZEYTZDE-MNOVXSKESA-N 1 3 198.354 2.153 20 0 AEADHO CCC[C@H](C)[NH2+]CCCNC(C)C 643508028 352980186 /nfs/dbraw/zinc/98/01/86/352980186.db2.gz AUTQCZNJEIXDKF-NSHDSACASA-N 1 3 186.343 2.153 20 0 AEADHO CC(C)NCCC[NH2+][C@H]1CCC[C@H]1C 643508088 352980228 /nfs/dbraw/zinc/98/02/28/352980228.db2.gz IZEYJBIEGSAUAB-NEPJUHHUSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)NCCC[NH2+][C@H]1CCC[C@@H]1C 643508090 352980637 /nfs/dbraw/zinc/98/06/37/352980637.db2.gz IZEYJBIEGSAUAB-RYUDHWBXSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)NCCC[NH2+][C@H](C)C(C)C 643508170 352980790 /nfs/dbraw/zinc/98/07/90/352980790.db2.gz QBOHWIFJIBCNOF-LLVKDONJSA-N 1 3 186.343 2.009 20 0 AEADHO CC[C@@H]1CC[C@@H]1[NH2+]CCCNC(C)C 643508513 352980846 /nfs/dbraw/zinc/98/08/46/352980846.db2.gz WNXQGZAODGSADE-NEPJUHHUSA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@@H]1CC[C@@H]1NCCC[NH2+]C(C)C 643508513 352980850 /nfs/dbraw/zinc/98/08/50/352980850.db2.gz WNXQGZAODGSADE-NEPJUHHUSA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@H]1CC[C@@H]1[NH2+]CCCNC(C)C 643508515 352980880 /nfs/dbraw/zinc/98/08/80/352980880.db2.gz WNXQGZAODGSADE-RYUDHWBXSA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@H]1CC[C@@H]1NCCC[NH2+]C(C)C 643508515 352980884 /nfs/dbraw/zinc/98/08/84/352980884.db2.gz WNXQGZAODGSADE-RYUDHWBXSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)NCCC[NH2+][C@@H]1CCC[C@@H]1C 643508089 352980987 /nfs/dbraw/zinc/98/09/87/352980987.db2.gz IZEYJBIEGSAUAB-NWDGAFQWSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)NCCC[NH2+][C@H](C)CC1CC1 643508380 352980993 /nfs/dbraw/zinc/98/09/93/352980993.db2.gz XOIXXDFZKNWKGM-LLVKDONJSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)NCCC[NH2+][C@@H](C)C(C)C 643508171 352981010 /nfs/dbraw/zinc/98/10/10/352981010.db2.gz QBOHWIFJIBCNOF-NSHDSACASA-N 1 3 186.343 2.009 20 0 AEADHO CC[C@@H]([NH2+]CCCNC(C)C)C1CC1 643508323 352981032 /nfs/dbraw/zinc/98/10/32/352981032.db2.gz LJPCIPFQKQGEGS-GFCCVEGCSA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@H]1CC[C@H]1[NH2+]CCCNC(C)C 643508514 352981103 /nfs/dbraw/zinc/98/11/03/352981103.db2.gz WNXQGZAODGSADE-NWDGAFQWSA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@H]1CC[C@H]1NCCC[NH2+]C(C)C 643508514 352981109 /nfs/dbraw/zinc/98/11/09/352981109.db2.gz WNXQGZAODGSADE-NWDGAFQWSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)NCCC[NH2+][C@@H](C)CC1CC1 643508381 352981119 /nfs/dbraw/zinc/98/11/19/352981119.db2.gz XOIXXDFZKNWKGM-NSHDSACASA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@@H]1CC[C@H]1[NH2+]CCCNC(C)C 643508516 352981126 /nfs/dbraw/zinc/98/11/26/352981126.db2.gz WNXQGZAODGSADE-VXGBXAGGSA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@@H]1CC[C@H]1NCCC[NH2+]C(C)C 643508516 352981129 /nfs/dbraw/zinc/98/11/29/352981129.db2.gz WNXQGZAODGSADE-VXGBXAGGSA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@H]([NH2+]CCCNC(C)C)C1CC1 643508324 352981156 /nfs/dbraw/zinc/98/11/56/352981156.db2.gz LJPCIPFQKQGEGS-LBPRGKRZSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)NCCC[NH2+][C@@H]1CCC[C@H]1C 643508091 352981208 /nfs/dbraw/zinc/98/12/08/352981208.db2.gz IZEYJBIEGSAUAB-VXGBXAGGSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)=CCC[C@@H](C)[NH2+]C[C@H](C)CN 643514667 352985884 /nfs/dbraw/zinc/98/58/84/352985884.db2.gz MTRYDPHIBXDSRS-VXGBXAGGSA-N 1 3 198.354 2.306 20 0 AEADHO CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](C)CN 643514665 352985400 /nfs/dbraw/zinc/98/54/00/352985400.db2.gz MTRYDPHIBXDSRS-NWDGAFQWSA-N 1 3 198.354 2.306 20 0 AEADHO CC(C)=CCC[C@H](C)[NH2+]C[C@@H](C)CN 643514666 352985724 /nfs/dbraw/zinc/98/57/24/352985724.db2.gz MTRYDPHIBXDSRS-RYUDHWBXSA-N 1 3 198.354 2.306 20 0 AEADHO CC(C)=CCC[C@H](C)[NH2+]C[C@H](C)CN 643514664 352985822 /nfs/dbraw/zinc/98/58/22/352985822.db2.gz MTRYDPHIBXDSRS-NEPJUHHUSA-N 1 3 198.354 2.306 20 0 AEADHO CCC[NH2+]CCN[C@@H](C(C)C)C1CC1 643515199 352986235 /nfs/dbraw/zinc/98/62/35/352986235.db2.gz CPTAQKDTWXNWEH-LBPRGKRZSA-N 1 3 198.354 2.010 20 0 AEADHO CCC[NH2+]CCN[C@H](CC)[C@H]1C[C@@H]1C 643515137 352986277 /nfs/dbraw/zinc/98/62/77/352986277.db2.gz HMCHWMRENNORNT-SDDRHHMPSA-N 1 3 198.354 2.010 20 0 AEADHO CCC[NH2+]CCN[C@H](CC)[C@@H]1C[C@H]1C 643515135 352986333 /nfs/dbraw/zinc/98/63/33/352986333.db2.gz HMCHWMRENNORNT-IJLUTSLNSA-N 1 3 198.354 2.010 20 0 AEADHO CCC[NH2+]CCN[C@@H](CC)C(C)C 643515314 352986402 /nfs/dbraw/zinc/98/64/02/352986402.db2.gz LWWOJDQRZIDKIN-NSHDSACASA-N 1 3 186.343 2.010 20 0 AEADHO CCC[NH2+]CCN[C@@H](CC)C1CCC1 643515094 352986447 /nfs/dbraw/zinc/98/64/47/352986447.db2.gz BSMQOSPBIOPWEX-LBPRGKRZSA-N 1 3 198.354 2.154 20 0 AEADHO CCC[NH2+]CCN[C@@H](C)C1CCCC1 643515240 352986457 /nfs/dbraw/zinc/98/64/57/352986457.db2.gz OVRTUPMNTDKIHA-NSHDSACASA-N 1 3 198.354 2.154 20 0 AEADHO CCC[NH2+]CCN[C@H](C(C)C)C1CC1 643515198 352986495 /nfs/dbraw/zinc/98/64/95/352986495.db2.gz CPTAQKDTWXNWEH-GFCCVEGCSA-N 1 3 198.354 2.010 20 0 AEADHO CCC[NH2+]CCN[C@H]1CCC[C@@H]1CC 643515259 352986505 /nfs/dbraw/zinc/98/65/05/352986505.db2.gz VTYKFGHOEGMGOU-RYUDHWBXSA-N 1 3 198.354 2.154 20 0 AEADHO CCC[NH2+]CCN[C@H](CC)[C@@H]1C[C@@H]1C 643515136 352986603 /nfs/dbraw/zinc/98/66/03/352986603.db2.gz HMCHWMRENNORNT-QJPTWQEYSA-N 1 3 198.354 2.010 20 0 AEADHO CCC[NH2+]CCN[C@H](C)C1CCCC1 643515239 352986654 /nfs/dbraw/zinc/98/66/54/352986654.db2.gz OVRTUPMNTDKIHA-LLVKDONJSA-N 1 3 198.354 2.154 20 0 AEADHO CCC[NH2+]CCN[C@H](CC)C(C)C 643515313 352986678 /nfs/dbraw/zinc/98/66/78/352986678.db2.gz LWWOJDQRZIDKIN-LLVKDONJSA-N 1 3 186.343 2.010 20 0 AEADHO CCC[NH2+]CCN[C@@H]1CCC[C@H]1CC 643515260 352986768 /nfs/dbraw/zinc/98/67/68/352986768.db2.gz VTYKFGHOEGMGOU-VXGBXAGGSA-N 1 3 198.354 2.154 20 0 AEADHO CCC[NH2+]CCN[C@H](CC)C1CCC1 643515093 352986808 /nfs/dbraw/zinc/98/68/08/352986808.db2.gz BSMQOSPBIOPWEX-GFCCVEGCSA-N 1 3 198.354 2.154 20 0 AEADHO CCC[NH2+]CCN[C@H]1CCC[C@H]1CC 643515257 352986899 /nfs/dbraw/zinc/98/68/99/352986899.db2.gz VTYKFGHOEGMGOU-NEPJUHHUSA-N 1 3 198.354 2.154 20 0 AEADHO CCC[NH2+]CCN[C@@H]1CCC[C@@H]1CC 643515258 352986915 /nfs/dbraw/zinc/98/69/15/352986915.db2.gz VTYKFGHOEGMGOU-NWDGAFQWSA-N 1 3 198.354 2.154 20 0 AEADHO CC[C@@H](C)C[C@@H](CC)[NH2+]CC1CNC1 643516064 352987209 /nfs/dbraw/zinc/98/72/09/352987209.db2.gz UOIGVXKRMOBVMF-ZYHUDNBSSA-N 1 3 198.354 2.010 20 0 AEADHO CC(C)CCC[C@@H](C)[NH2+]CC1CNC1 643515997 352987247 /nfs/dbraw/zinc/98/72/47/352987247.db2.gz KAODGAXNZNCKPB-LLVKDONJSA-N 1 3 198.354 2.010 20 0 AEADHO CC[C@H](C)C[C@@H](CC)[NH2+]CC1CNC1 643516061 352987302 /nfs/dbraw/zinc/98/73/02/352987302.db2.gz UOIGVXKRMOBVMF-CMPLNLGQSA-N 1 3 198.354 2.010 20 0 AEADHO CC[C@@H](C[C@H](C)CC)[NH2+]CC1CNC1 643516063 352987459 /nfs/dbraw/zinc/98/74/59/352987459.db2.gz UOIGVXKRMOBVMF-PWSUYJOCSA-N 1 3 198.354 2.010 20 0 AEADHO CCC[C@@H](C)[C@@H](CC)[NH2+]CC1CNC1 643516033 352987559 /nfs/dbraw/zinc/98/75/59/352987559.db2.gz PHKQXURUYDGKJQ-ZYHUDNBSSA-N 1 3 198.354 2.010 20 0 AEADHO CCC[C@H](C)[C@@H](CC)[NH2+]CC1CNC1 643516030 352987592 /nfs/dbraw/zinc/98/75/92/352987592.db2.gz PHKQXURUYDGKJQ-CMPLNLGQSA-N 1 3 198.354 2.010 20 0 AEADHO CC[C@H](C)C[C@H](CC)[NH2+]CC1CNC1 643516062 352987606 /nfs/dbraw/zinc/98/76/06/352987606.db2.gz UOIGVXKRMOBVMF-JQWIXIFHSA-N 1 3 198.354 2.010 20 0 AEADHO CCC[C@@H](C)[C@H](CC)[NH2+]CC1CNC1 643516032 352987661 /nfs/dbraw/zinc/98/76/61/352987661.db2.gz PHKQXURUYDGKJQ-PWSUYJOCSA-N 1 3 198.354 2.010 20 0 AEADHO CCC[C@H](C)[C@H](CC)[NH2+]CC1CNC1 643516031 352987766 /nfs/dbraw/zinc/98/77/66/352987766.db2.gz PHKQXURUYDGKJQ-JQWIXIFHSA-N 1 3 198.354 2.010 20 0 AEADHO CC(C)CCC[C@H](C)[NH2+]CC1CNC1 643515998 352987816 /nfs/dbraw/zinc/98/78/16/352987816.db2.gz KAODGAXNZNCKPB-NSHDSACASA-N 1 3 198.354 2.010 20 0 AEADHO CCCC[C@H](C)[C@H](C)[NH2+]CC1CNC1 643516577 352988286 /nfs/dbraw/zinc/98/82/86/352988286.db2.gz UOSLHFKBECWIFW-QWRGUYRKSA-N 1 3 198.354 2.010 20 0 AEADHO CCCC[C@@H](C)[C@H](C)[NH2+]CC1CNC1 643516576 352988329 /nfs/dbraw/zinc/98/83/29/352988329.db2.gz UOSLHFKBECWIFW-MNOVXSKESA-N 1 3 198.354 2.010 20 0 AEADHO CCCC[C@@H](C)[C@@H](C)[NH2+]CC1CNC1 643516575 352988459 /nfs/dbraw/zinc/98/84/59/352988459.db2.gz UOSLHFKBECWIFW-GHMZBOCLSA-N 1 3 198.354 2.010 20 0 AEADHO CCCC[C@H](C)[C@@H](C)[NH2+]CC1CNC1 643516578 352988617 /nfs/dbraw/zinc/98/86/17/352988617.db2.gz UOSLHFKBECWIFW-WDEREUQCSA-N 1 3 198.354 2.010 20 0 AEADHO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@H](N)C1 643524078 352991916 /nfs/dbraw/zinc/99/19/16/352991916.db2.gz GPYLAFIHXVGYIX-KXNHARMFSA-N 1 3 196.338 2.035 20 0 AEADHO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@@H](N)C1 643524080 352991975 /nfs/dbraw/zinc/99/19/75/352991975.db2.gz GPYLAFIHXVGYIX-WYUUTHIRSA-N 1 3 196.338 2.035 20 0 AEADHO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@H](N)C1 643524079 352991984 /nfs/dbraw/zinc/99/19/84/352991984.db2.gz GPYLAFIHXVGYIX-RHYQMDGZSA-N 1 3 196.338 2.035 20 0 AEADHO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N)C1 643524077 352992027 /nfs/dbraw/zinc/99/20/27/352992027.db2.gz GPYLAFIHXVGYIX-KKOKHZNYSA-N 1 3 196.338 2.035 20 0 AEADHO C[C@@H]1C[C@H]([NH2+][C@H](C)C(C)(C)C)CCN1 643525841 352992379 /nfs/dbraw/zinc/99/23/79/352992379.db2.gz UQVMWJNOFVYGSP-GMTAPVOTSA-N 1 3 198.354 2.151 20 0 AEADHO C[C@@H]1C[C@@H]([NH2+][C@H](C)C(C)(C)C)CCN1 643525842 352992480 /nfs/dbraw/zinc/99/24/80/352992480.db2.gz UQVMWJNOFVYGSP-MXWKQRLJSA-N 1 3 198.354 2.151 20 0 AEADHO C[C@H]([NH2+][C@H]1CCN[C@H](C)C1)C(C)(C)C 643525844 352992539 /nfs/dbraw/zinc/99/25/39/352992539.db2.gz UQVMWJNOFVYGSP-VWYCJHECSA-N 1 3 198.354 2.151 20 0 AEADHO CC[C@H]([NH2+][C@H]1CCN[C@@H](C)C1)C(C)C 643525452 352992632 /nfs/dbraw/zinc/99/26/32/352992632.db2.gz UCBOWTAOGJMFRX-SRVKXCTJSA-N 1 3 198.354 2.151 20 0 AEADHO C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)C(C)(C)C 643525843 352992821 /nfs/dbraw/zinc/99/28/21/352992821.db2.gz UQVMWJNOFVYGSP-OUAUKWLOSA-N 1 3 198.354 2.151 20 0 AEADHO CC[C@H]([NH2+][C@@H]1CCN[C@@H](C)C1)C(C)C 643525453 352992987 /nfs/dbraw/zinc/99/29/87/352992987.db2.gz UCBOWTAOGJMFRX-TUAOUCFPSA-N 1 3 198.354 2.151 20 0 AEADHO CC[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)C(C)C 643525454 352993109 /nfs/dbraw/zinc/99/31/09/352993109.db2.gz UCBOWTAOGJMFRX-UTUOFQBUSA-N 1 3 198.354 2.151 20 0 AEADHO CC[C@H]([NH2+][C@H]1CCN[C@H](C)C1)C(C)C 643525455 352993292 /nfs/dbraw/zinc/99/32/92/352993292.db2.gz UCBOWTAOGJMFRX-WOPDTQHZSA-N 1 3 198.354 2.151 20 0 AEADHO CC[NH2+][C@H](C)CN[C@@H]1CCC[C@H]1CC 643529623 352996384 /nfs/dbraw/zinc/99/63/84/352996384.db2.gz GYYGYLSGTITYEQ-IJLUTSLNSA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@@H]([NH2+]C[C@@H](C)N)c1ccsc1 643529572 352996411 /nfs/dbraw/zinc/99/64/11/352996411.db2.gz BXSGYFPOIAVNNM-PSASIEDQSA-N 1 3 198.335 2.136 20 0 AEADHO CC[C@H]([NH2+]C[C@H](C)N)c1ccsc1 643529575 352996456 /nfs/dbraw/zinc/99/64/56/352996456.db2.gz BXSGYFPOIAVNNM-WPRPVWTQSA-N 1 3 198.335 2.136 20 0 AEADHO CC[NH2+][C@H](C)CN[C@@H](C)[C@@H](C)CC 643529660 352996561 /nfs/dbraw/zinc/99/65/61/352996561.db2.gz KKNRKEHYNBDMMX-AXFHLTTASA-N 1 3 186.343 2.009 20 0 AEADHO CC[NH2+][C@H](C)CN[C@@H](C)[C@H](C)CC 643529663 352996584 /nfs/dbraw/zinc/99/65/84/352996584.db2.gz KKNRKEHYNBDMMX-MXWKQRLJSA-N 1 3 186.343 2.009 20 0 AEADHO CC[NH2+][C@H](C)CN[C@H](C)[C@H](C)CC 643529661 352996614 /nfs/dbraw/zinc/99/66/14/352996614.db2.gz KKNRKEHYNBDMMX-GMTAPVOTSA-N 1 3 186.343 2.009 20 0 AEADHO CC[C@@H]([NH2+]C[C@H](C)N)c1ccsc1 643529574 352996681 /nfs/dbraw/zinc/99/66/81/352996681.db2.gz BXSGYFPOIAVNNM-WCBMZHEXSA-N 1 3 198.335 2.136 20 0 AEADHO CC[NH2+][C@H](C)CN[C@H](C)C1CCCC1 643529702 352996722 /nfs/dbraw/zinc/99/67/22/352996722.db2.gz PFFOGFOMLDDOFN-GHMZBOCLSA-N 1 3 198.354 2.153 20 0 AEADHO CC[NH2+][C@H](C)CN[C@H]1CCC[C@H]1CC 643529624 352996740 /nfs/dbraw/zinc/99/67/40/352996740.db2.gz GYYGYLSGTITYEQ-UTUOFQBUSA-N 1 3 198.354 2.153 20 0 AEADHO CC[NH2+][C@H](C)CN[C@@H](C)C1CCCC1 643529703 352996822 /nfs/dbraw/zinc/99/68/22/352996822.db2.gz PFFOGFOMLDDOFN-MNOVXSKESA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@H]([NH2+]C[C@@H](C)N)c1ccsc1 643529573 352996829 /nfs/dbraw/zinc/99/68/29/352996829.db2.gz BXSGYFPOIAVNNM-SCZZXKLOSA-N 1 3 198.335 2.136 20 0 AEADHO CC[NH2+][C@H](C)CN[C@@H]1CCC[C@@H]1CC 643529622 352996881 /nfs/dbraw/zinc/99/68/81/352996881.db2.gz GYYGYLSGTITYEQ-GRYCIOLGSA-N 1 3 198.354 2.153 20 0 AEADHO CC[NH2+][C@H](C)CN[C@H]1CCC[C@@H]1CC 643529625 352996927 /nfs/dbraw/zinc/99/69/27/352996927.db2.gz GYYGYLSGTITYEQ-WOPDTQHZSA-N 1 3 198.354 2.153 20 0 AEADHO CC[NH2+][C@H](C)CN[C@H](C)[C@@H](C)CC 643529662 352996943 /nfs/dbraw/zinc/99/69/43/352996943.db2.gz KKNRKEHYNBDMMX-HBNTYKKESA-N 1 3 186.343 2.009 20 0 AEADHO CC[NH2+][C@H](C)CN[C@@H](CC)C1CCC1 643529794 352997453 /nfs/dbraw/zinc/99/74/53/352997453.db2.gz FMILIDGDNQMYPR-PWSUYJOCSA-N 1 3 198.354 2.153 20 0 AEADHO CC[NH2+][C@H](C)CN[C@H](CC)[C@@H]1C[C@@H]1C 643530031 352997467 /nfs/dbraw/zinc/99/74/67/352997467.db2.gz YKKCBVNFZBOUEV-IRCOFANPSA-N 1 3 198.354 2.009 20 0 AEADHO CC[NH2+][C@H](C)CN[C@H](C)C(C)(C)C 643529919 352997480 /nfs/dbraw/zinc/99/74/80/352997480.db2.gz XGBQFAQLPMBUTC-NXEZZACHSA-N 1 3 186.343 2.009 20 0 AEADHO CC[NH2+][C@H](C)CN[C@H](CC)[C@H]1C[C@H]1C 643530033 352997540 /nfs/dbraw/zinc/99/75/40/352997540.db2.gz YKKCBVNFZBOUEV-WISYIIOYSA-N 1 3 198.354 2.009 20 0 AEADHO CC[NH2+][C@H](C)CN[C@H](CC)[C@@H]1C[C@H]1C 643530030 352997554 /nfs/dbraw/zinc/99/75/54/352997554.db2.gz YKKCBVNFZBOUEV-DDHJBXDOSA-N 1 3 198.354 2.009 20 0 AEADHO CC[NH2+][C@H](C)CN[C@@H](C)C(C)(C)C 643529920 352997601 /nfs/dbraw/zinc/99/76/01/352997601.db2.gz XGBQFAQLPMBUTC-ZJUUUORDSA-N 1 3 186.343 2.009 20 0 AEADHO CC[NH2+][C@H](C)CN[C@H](CC)C1CCC1 643529795 352997655 /nfs/dbraw/zinc/99/76/55/352997655.db2.gz FMILIDGDNQMYPR-ZYHUDNBSSA-N 1 3 198.354 2.153 20 0 AEADHO CC[NH2+][C@H](C)CN[C@H](CC)[C@H]1C[C@@H]1C 643530032 352997753 /nfs/dbraw/zinc/99/77/53/352997753.db2.gz YKKCBVNFZBOUEV-WHOHXGKFSA-N 1 3 198.354 2.009 20 0 AEADHO CC[C@H](N)C[NH2+][C@@H](C)c1cccs1 643540307 353002200 /nfs/dbraw/zinc/00/22/00/353002200.db2.gz STORUALIGQFJAM-IUCAKERBSA-N 1 3 198.335 2.136 20 0 AEADHO CC[C@@H](N)C[NH2+][C@@H](C)c1cccs1 643540306 353002214 /nfs/dbraw/zinc/00/22/14/353002214.db2.gz STORUALIGQFJAM-DTWKUNHWSA-N 1 3 198.335 2.136 20 0 AEADHO CC[C@@H](N)C[NH2+][C@H](C)c1cccs1 643540308 353002259 /nfs/dbraw/zinc/00/22/59/353002259.db2.gz STORUALIGQFJAM-RKDXNWHRSA-N 1 3 198.335 2.136 20 0 AEADHO CC[C@H](N)C[NH2+][C@H](C)c1cccs1 643540305 353002355 /nfs/dbraw/zinc/00/23/55/353002355.db2.gz STORUALIGQFJAM-BDAKNGLRSA-N 1 3 198.335 2.136 20 0 AEADHO CC(C)[C@H](C)[NH2+]C[C@]1(C)CCCNC1 318991580 371784919 /nfs/dbraw/zinc/78/49/19/371784919.db2.gz KPEWWCBQYGZCIX-NWDGAFQWSA-N 1 3 198.354 2.010 20 0 AEADHO CC(C)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCNC1 319030060 371784999 /nfs/dbraw/zinc/78/49/99/371784999.db2.gz SBDDTVOOZMNZQL-QJPTWQEYSA-N 1 3 198.354 2.009 20 0 AEADHO CC(C)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCNC1 319030064 371785025 /nfs/dbraw/zinc/78/50/25/371785025.db2.gz SBDDTVOOZMNZQL-SRVKXCTJSA-N 1 3 198.354 2.009 20 0 AEADHO CC(C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCNC1 319030062 371785133 /nfs/dbraw/zinc/78/51/33/371785133.db2.gz SBDDTVOOZMNZQL-SDDRHHMPSA-N 1 3 198.354 2.009 20 0 AEADHO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C[C@H](C)N 319114201 371785154 /nfs/dbraw/zinc/78/51/54/371785154.db2.gz HGFQXQWGENSOIZ-NAKRPEOUSA-N 1 3 186.343 2.136 20 0 AEADHO CC(C)[C@@H](C)[NH2+]C[C@@]1(C)CCCNC1 318991576 371785208 /nfs/dbraw/zinc/78/52/08/371785208.db2.gz KPEWWCBQYGZCIX-NEPJUHHUSA-N 1 3 198.354 2.010 20 0 AEADHO CC[C@H](C)[C@H](C)[NH2+][C@H](C)C[C@H](C)N 319114198 371785415 /nfs/dbraw/zinc/78/54/15/371785415.db2.gz HGFQXQWGENSOIZ-MMWGEVLESA-N 1 3 186.343 2.136 20 0 AEADHO CCNCCC[NH2+][C@@H](C)[C@@H](C)CC 319127438 371785450 /nfs/dbraw/zinc/78/54/50/371785450.db2.gz IOEDQHFUMSEEOQ-QWRGUYRKSA-N 1 3 186.343 2.010 20 0 AEADHO CC(C)[C@H](C)[NH2+]C[C@@]1(C)CCCNC1 318991584 371785477 /nfs/dbraw/zinc/78/54/77/371785477.db2.gz KPEWWCBQYGZCIX-RYUDHWBXSA-N 1 3 198.354 2.010 20 0 AEADHO CCNCCC[NH2+][C@@H](C)[C@H](C)CC 319127420 371785491 /nfs/dbraw/zinc/78/54/91/371785491.db2.gz IOEDQHFUMSEEOQ-MNOVXSKESA-N 1 3 186.343 2.010 20 0 AEADHO CCNCCC[NH2+][C@H](C)[C@H](C)CC 319127404 371785551 /nfs/dbraw/zinc/78/55/51/371785551.db2.gz IOEDQHFUMSEEOQ-GHMZBOCLSA-N 1 3 186.343 2.010 20 0 AEADHO CC(C)[C@@H](C)[NH2+]C[C@]1(C)CCCNC1 318991587 371785658 /nfs/dbraw/zinc/78/56/58/371785658.db2.gz KPEWWCBQYGZCIX-VXGBXAGGSA-N 1 3 198.354 2.010 20 0 AEADHO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C[C@@H](C)N 319114209 371785666 /nfs/dbraw/zinc/78/56/66/371785666.db2.gz HGFQXQWGENSOIZ-VLEAKVRGSA-N 1 3 186.343 2.136 20 0 AEADHO CC(C)[C@H](C)[NH2+][C@H](C)[C@H]1CCCNC1 319030065 371785742 /nfs/dbraw/zinc/78/57/42/371785742.db2.gz SBDDTVOOZMNZQL-TUAOUCFPSA-N 1 3 198.354 2.009 20 0 AEADHO CCNCCC[NH2+][C@H](C)[C@@H](C)CC 319127458 371785791 /nfs/dbraw/zinc/78/57/91/371785791.db2.gz IOEDQHFUMSEEOQ-WDEREUQCSA-N 1 3 186.343 2.010 20 0 AEADHO CC[C@H](C)[C@H](C)[NH2+][C@H](C)C[C@@H](C)N 319114221 371785800 /nfs/dbraw/zinc/78/58/00/371785800.db2.gz HGFQXQWGENSOIZ-ZDCRXTMVSA-N 1 3 186.343 2.136 20 0 AEADHO CCC[NH2+]CCN[C@@H](C)[C@H](C)CC 319267434 371786556 /nfs/dbraw/zinc/78/65/56/371786556.db2.gz ZNYYPKMLHFJQPJ-MNOVXSKESA-N 1 3 186.343 2.010 20 0 AEADHO CCC[NH2+]CCN[C@H](C)[C@H](C)CC 319266797 371787223 /nfs/dbraw/zinc/78/72/23/371787223.db2.gz ZNYYPKMLHFJQPJ-GHMZBOCLSA-N 1 3 186.343 2.010 20 0 AEADHO CCC[NH2+]CCN[C@H](C)[C@@H](C)CC 319267437 371787501 /nfs/dbraw/zinc/78/75/01/371787501.db2.gz ZNYYPKMLHFJQPJ-WDEREUQCSA-N 1 3 186.343 2.010 20 0 AEADHO CCC[NH2+]CCN[C@@H](C)[C@@H](C)CC 319267436 371787842 /nfs/dbraw/zinc/78/78/42/371787842.db2.gz ZNYYPKMLHFJQPJ-QWRGUYRKSA-N 1 3 186.343 2.010 20 0 AEADHO C[C@@H](N)C[C@@H](C)[NH2+]C1CCCCCC1 320496820 371788622 /nfs/dbraw/zinc/78/86/22/371788622.db2.gz IZOSXLWVNOULAA-GHMZBOCLSA-N 1 3 198.354 2.425 20 0 AEADHO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCN[C@@H](C)C1 319549461 371788704 /nfs/dbraw/zinc/78/87/04/371788704.db2.gz OIILDFWYDLMXCB-FIQHERPVSA-N 1 3 198.354 2.151 20 0 AEADHO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCN[C@@H](C)C1 319549460 371788925 /nfs/dbraw/zinc/78/89/25/371788925.db2.gz OIILDFWYDLMXCB-BJDJZHNGSA-N 1 3 198.354 2.151 20 0 AEADHO C[C@H](N)C[C@H](C)[NH2+]C1CCCCC1 320759975 371788963 /nfs/dbraw/zinc/78/89/63/371788963.db2.gz XCRMACGYUMQSLA-UWVGGRQHSA-N 1 3 184.327 2.035 20 0 AEADHO C[C@@H](N)C[C@@H](C)[NH2+]C1CCCCC1 320759973 371789023 /nfs/dbraw/zinc/78/90/23/371789023.db2.gz XCRMACGYUMQSLA-NXEZZACHSA-N 1 3 184.327 2.035 20 0 AEADHO C[C@@H](C[C@@H](C)N)[NH2+]C1CCCCCC1 320496821 371789086 /nfs/dbraw/zinc/78/90/86/371789086.db2.gz IZOSXLWVNOULAA-MNOVXSKESA-N 1 3 198.354 2.425 20 0 AEADHO C[C@H](N)C[C@H](C)[NH2+]C1CCCCCC1 320496822 371789161 /nfs/dbraw/zinc/78/91/61/371789161.db2.gz IZOSXLWVNOULAA-QWRGUYRKSA-N 1 3 198.354 2.425 20 0 AEADHO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCN[C@H](C)C1 319549462 371789302 /nfs/dbraw/zinc/78/93/02/371789302.db2.gz OIILDFWYDLMXCB-USZNOCQGSA-N 1 3 198.354 2.151 20 0 AEADHO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCN[C@H](C)C1 319549463 371789333 /nfs/dbraw/zinc/78/93/33/371789333.db2.gz OIILDFWYDLMXCB-WHOHXGKFSA-N 1 3 198.354 2.151 20 0 AEADHO CC(C)C[C@H](C)[NH2+][C@@H](C)C[C@H](C)N 320603021 371789394 /nfs/dbraw/zinc/78/93/94/371789394.db2.gz XJAHKBKSGDYNGM-DCAQKATOSA-N 1 3 186.343 2.136 20 0 AEADHO C[C@H](N)C[C@@H](C)[NH2+]C1CCCCCC1 320496823 371789410 /nfs/dbraw/zinc/78/94/10/371789410.db2.gz IZOSXLWVNOULAA-WDEREUQCSA-N 1 3 198.354 2.425 20 0 AEADHO CC(C)C[C@H](C)[NH2+][C@@H](C)C[C@@H](C)N 320603026 371789619 /nfs/dbraw/zinc/78/96/19/371789619.db2.gz XJAHKBKSGDYNGM-VWYCJHECSA-N 1 3 186.343 2.136 20 0 AEADHO CC(C)C[C@H](C)[NH2+][C@H](C)C[C@H](C)N 320603023 371789789 /nfs/dbraw/zinc/78/97/89/371789789.db2.gz XJAHKBKSGDYNGM-GARJFASQSA-N 1 3 186.343 2.136 20 0 AEADHO CC(C)C[C@H](C)[NH2+][C@H](C)C[C@@H](C)N 320603025 371789808 /nfs/dbraw/zinc/78/98/08/371789808.db2.gz XJAHKBKSGDYNGM-OUAUKWLOSA-N 1 3 186.343 2.136 20 0 AEADHO C[C@@H](C[C@@H](C)N)[NH2+]C1CCCCC1 320760817 371790680 /nfs/dbraw/zinc/79/06/80/371790680.db2.gz XCRMACGYUMQSLA-ZJUUUORDSA-N 1 3 184.327 2.035 20 0 AEADHO C[C@H](N)C[C@@H](C)[NH2+]C1CCCCC1 320760816 371791085 /nfs/dbraw/zinc/79/10/85/371791085.db2.gz XCRMACGYUMQSLA-VHSXEESVSA-N 1 3 184.327 2.035 20 0 AEADHO CC[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)C1CC1 323686557 371794293 /nfs/dbraw/zinc/79/42/93/371794293.db2.gz FWXUPHGILAOCIF-UTUOFQBUSA-N 1 3 196.338 2.035 20 0 AEADHO CC[C@H]([NH2+][C@H]1CCC[C@H](N)C1)C1CC1 323685867 371794367 /nfs/dbraw/zinc/79/43/67/371794367.db2.gz FWXUPHGILAOCIF-SRVKXCTJSA-N 1 3 196.338 2.035 20 0 AEADHO CC[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)C1CC1 323685868 371794378 /nfs/dbraw/zinc/79/43/78/371794378.db2.gz FWXUPHGILAOCIF-TUAOUCFPSA-N 1 3 196.338 2.035 20 0 AEADHO CC[C@H]([NH2+][C@H]1CCC[C@@H](N)C1)C1CC1 323686558 371794589 /nfs/dbraw/zinc/79/45/89/371794589.db2.gz FWXUPHGILAOCIF-WOPDTQHZSA-N 1 3 196.338 2.035 20 0 AEADHO CC(C)(C)CCC[N@@H+]1CCC[C@H](N)C1 204771423 375413205 /nfs/dbraw/zinc/41/32/05/375413205.db2.gz VYEYNBGKJPWRNM-NSHDSACASA-N 1 3 198.354 2.236 20 0 AEADHO CC(C)(C)CCC[N@H+]1CCC[C@H](N)C1 204771423 375413209 /nfs/dbraw/zinc/41/32/09/375413209.db2.gz VYEYNBGKJPWRNM-NSHDSACASA-N 1 3 198.354 2.236 20 0 AEADHO CCC[C@H]([NH2+]C[C@@H](C)CN)C1CCC1 324794772 375478537 /nfs/dbraw/zinc/47/85/37/375478537.db2.gz LBGIFTXGAAQRMO-JQWIXIFHSA-N 1 3 198.354 2.140 20 0 AEADHO CCC[C@@H]([NH2+]C[C@H](C)CN)C1CCC1 324794774 375478844 /nfs/dbraw/zinc/47/88/44/375478844.db2.gz LBGIFTXGAAQRMO-ZYHUDNBSSA-N 1 3 198.354 2.140 20 0 AEADHO CCC[C@H]([NH2+]C[C@H](C)CN)C1CCC1 324794773 375479009 /nfs/dbraw/zinc/47/90/09/375479009.db2.gz LBGIFTXGAAQRMO-PWSUYJOCSA-N 1 3 198.354 2.140 20 0 AEADHO CCC[C@@H]([NH2+]C[C@@H](C)CN)C1CCC1 324794771 375479145 /nfs/dbraw/zinc/47/91/45/375479145.db2.gz LBGIFTXGAAQRMO-CMPLNLGQSA-N 1 3 198.354 2.140 20 0 AEADHO CC[C@H](C)[C@H](C)N[C@H](C)[C@@H]1CCC[NH2+]1 400522512 375507633 /nfs/dbraw/zinc/50/76/33/375507633.db2.gz OUFRRNYXAKNYLP-YFKTTZPYSA-N 1 3 198.354 2.151 20 0 AEADHO CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCN1 400522512 375507635 /nfs/dbraw/zinc/50/76/35/375507635.db2.gz OUFRRNYXAKNYLP-YFKTTZPYSA-N 1 3 198.354 2.151 20 0 AEADHO CCC[C@H](CC)N[C@H](C)[C@@H]1CCC[NH2+]1 400495135 375507684 /nfs/dbraw/zinc/50/76/84/375507684.db2.gz HFHPFOOQSRMMCU-WOPDTQHZSA-N 1 3 198.354 2.295 20 0 AEADHO CCC[C@H](CC)[NH2+][C@H](C)[C@@H]1CCCN1 400495135 375507688 /nfs/dbraw/zinc/50/76/88/375507688.db2.gz HFHPFOOQSRMMCU-WOPDTQHZSA-N 1 3 198.354 2.295 20 0 AEADHO CC[C@H](C)[C@H](C)N[C@H](C)[C@H]1CCC[NH2+]1 400522509 375507698 /nfs/dbraw/zinc/50/76/98/375507698.db2.gz OUFRRNYXAKNYLP-NNYUYHANSA-N 1 3 198.354 2.151 20 0 AEADHO CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@H]1CCCN1 400522509 375507703 /nfs/dbraw/zinc/50/77/03/375507703.db2.gz OUFRRNYXAKNYLP-NNYUYHANSA-N 1 3 198.354 2.151 20 0 AEADHO CC[C@H](C)[C@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]1 400522072 375507850 /nfs/dbraw/zinc/50/78/50/375507850.db2.gz OUFRRNYXAKNYLP-BJDJZHNGSA-N 1 3 198.354 2.151 20 0 AEADHO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCN1 400522072 375507854 /nfs/dbraw/zinc/50/78/54/375507854.db2.gz OUFRRNYXAKNYLP-BJDJZHNGSA-N 1 3 198.354 2.151 20 0 AEADHO CCC[C@H](CC)N[C@@H](C)[C@H]1CCC[NH2+]1 400495130 375507975 /nfs/dbraw/zinc/50/79/75/375507975.db2.gz HFHPFOOQSRMMCU-SDDRHHMPSA-N 1 3 198.354 2.295 20 0 AEADHO CCC[C@H](CC)[NH2+][C@@H](C)[C@H]1CCCN1 400495130 375507979 /nfs/dbraw/zinc/50/79/79/375507979.db2.gz HFHPFOOQSRMMCU-SDDRHHMPSA-N 1 3 198.354 2.295 20 0 AEADHO CCC[C@H](CC)N[C@H](C)[C@H]1CCC[NH2+]1 400495127 375508233 /nfs/dbraw/zinc/50/82/33/375508233.db2.gz HFHPFOOQSRMMCU-GRYCIOLGSA-N 1 3 198.354 2.295 20 0 AEADHO CCC[C@H](CC)[NH2+][C@H](C)[C@H]1CCCN1 400495127 375508236 /nfs/dbraw/zinc/50/82/36/375508236.db2.gz HFHPFOOQSRMMCU-GRYCIOLGSA-N 1 3 198.354 2.295 20 0 AEADHO CC[C@H](C)[C@H](C)N[C@@H](C)[C@H]1CCC[NH2+]1 400522074 375508260 /nfs/dbraw/zinc/50/82/60/375508260.db2.gz OUFRRNYXAKNYLP-FIQHERPVSA-N 1 3 198.354 2.151 20 0 AEADHO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCN1 400522074 375508263 /nfs/dbraw/zinc/50/82/63/375508263.db2.gz OUFRRNYXAKNYLP-FIQHERPVSA-N 1 3 198.354 2.151 20 0 AEADHO CCC[C@H](CC)N[C@@H](C)[C@@H]1CCC[NH2+]1 400495134 375508285 /nfs/dbraw/zinc/50/82/85/375508285.db2.gz HFHPFOOQSRMMCU-SRVKXCTJSA-N 1 3 198.354 2.295 20 0 AEADHO CCC[C@H](CC)[NH2+][C@@H](C)[C@@H]1CCCN1 400495134 375508290 /nfs/dbraw/zinc/50/82/90/375508290.db2.gz HFHPFOOQSRMMCU-SRVKXCTJSA-N 1 3 198.354 2.295 20 0 AEADHO CCC(CC)C[NH2+][C@@H](C)[C@@H]1CCCN1 400535475 375509036 /nfs/dbraw/zinc/50/90/36/375509036.db2.gz TUMUDNKKTWADQR-JQWIXIFHSA-N 1 3 198.354 2.153 20 0 AEADHO CCC(CC)C[NH2+][C@H](C)[C@H]1CCCN1 400535478 375509170 /nfs/dbraw/zinc/50/91/70/375509170.db2.gz TUMUDNKKTWADQR-ZYHUDNBSSA-N 1 3 198.354 2.153 20 0 AEADHO CCC(CC)C[NH2+][C@@H](C)[C@H]1CCCN1 400535474 375509318 /nfs/dbraw/zinc/50/93/18/375509318.db2.gz TUMUDNKKTWADQR-CMPLNLGQSA-N 1 3 198.354 2.153 20 0 AEADHO CCC(CC)C[NH2+][C@H](C)[C@@H]1CCCN1 400535476 375509903 /nfs/dbraw/zinc/50/99/03/375509903.db2.gz TUMUDNKKTWADQR-PWSUYJOCSA-N 1 3 198.354 2.153 20 0 AEADHO CCC(C)(C)CCN(C)C1CC([NH3+])C1 647982651 375682436 /nfs/dbraw/zinc/68/24/36/375682436.db2.gz OVMZJQBWQCQWTC-UHFFFAOYSA-N 1 3 198.354 2.234 20 0 AEADHO CCC(C)(C)CC[N@H+](C)C1CC(N)C1 647982651 375682443 /nfs/dbraw/zinc/68/24/43/375682443.db2.gz OVMZJQBWQCQWTC-UHFFFAOYSA-N 1 3 198.354 2.234 20 0 AEADHO CCC(C)(C)CC[N@@H+](C)C1CC(N)C1 647982651 375682446 /nfs/dbraw/zinc/68/24/46/375682446.db2.gz OVMZJQBWQCQWTC-UHFFFAOYSA-N 1 3 198.354 2.234 20 0 AEADHO CNCCC[N@H+](CC1CCC1)C(C)C 647991580 375683345 /nfs/dbraw/zinc/68/33/45/375683345.db2.gz OBVFWXGRJXAWBK-UHFFFAOYSA-N 1 3 198.354 2.106 20 0 AEADHO CNCCC[N@@H+](CC1CCC1)C(C)C 647991580 375683348 /nfs/dbraw/zinc/68/33/48/375683348.db2.gz OBVFWXGRJXAWBK-UHFFFAOYSA-N 1 3 198.354 2.106 20 0 AEADHO CN(CCC(C)(C)C)C1CC[NH2+]CC1 36301353 409318786 /nfs/dbraw/zinc/31/87/86/409318786.db2.gz JFBSNQGORQTSAV-UHFFFAOYSA-N 1 3 198.354 2.106 20 0 AEADHO CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCNC1 36790967 409319233 /nfs/dbraw/zinc/31/92/33/409319233.db2.gz DYXFMTWYJJDFLV-VXGBXAGGSA-N 1 3 198.354 2.106 20 0 AEADHO CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCNC1 36790967 409319237 /nfs/dbraw/zinc/31/92/37/409319237.db2.gz DYXFMTWYJJDFLV-VXGBXAGGSA-N 1 3 198.354 2.106 20 0 AEADHO CCC[C@H](C)[N@H+](C)C[C@@H]1CCCNC1 36790969 409319437 /nfs/dbraw/zinc/31/94/37/409319437.db2.gz DYXFMTWYJJDFLV-NWDGAFQWSA-N 1 3 198.354 2.106 20 0 AEADHO CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCNC1 36790969 409319438 /nfs/dbraw/zinc/31/94/38/409319438.db2.gz DYXFMTWYJJDFLV-NWDGAFQWSA-N 1 3 198.354 2.106 20 0 AEADHO CCCCCN1CCC[C@@H](C[NH2+]C)C1 40601081 409343428 /nfs/dbraw/zinc/34/34/28/409343428.db2.gz ZIOXNXWJLSCVHJ-LBPRGKRZSA-N 1 3 198.354 2.108 20 0 AEADHO CC(C)NCCC[NH2+]C1CCCCC1 40397790 409343481 /nfs/dbraw/zinc/34/34/81/409343481.db2.gz KJRXHMSIBZHTST-UHFFFAOYSA-N 1 3 198.354 2.297 20 0 AEADHO CCCCCN1CCC[C@H](C[NH2+]C)C1 40601079 409343795 /nfs/dbraw/zinc/34/37/95/409343795.db2.gz ZIOXNXWJLSCVHJ-GFCCVEGCSA-N 1 3 198.354 2.108 20 0 AEADHO CCC[N@H+](CCCN)CC1CCCC1 42011104 409349497 /nfs/dbraw/zinc/34/94/97/409349497.db2.gz LJJIFLIFNMUJAZ-UHFFFAOYSA-N 1 3 198.354 2.237 20 0 AEADHO CCC[N@@H+](CCCN)CC1CCCC1 42011104 409349502 /nfs/dbraw/zinc/34/95/02/409349502.db2.gz LJJIFLIFNMUJAZ-UHFFFAOYSA-N 1 3 198.354 2.237 20 0 AEADHO CC(C)CC[C@H]1CCCN1C[C@H](C)[NH3+] 652343504 409351908 /nfs/dbraw/zinc/35/19/08/409351908.db2.gz OAKAKTXAHSJMEN-NWDGAFQWSA-N 1 3 198.354 2.234 20 0 AEADHO CNCCC[N@H+](C)[C@@H]1CCCC[C@@H]1C 42609948 409352019 /nfs/dbraw/zinc/35/20/19/409352019.db2.gz NDXNMHGZOGEACC-NWDGAFQWSA-N 1 3 198.354 2.106 20 0 AEADHO CNCCC[N@@H+](C)[C@@H]1CCCC[C@@H]1C 42609948 409352027 /nfs/dbraw/zinc/35/20/27/409352027.db2.gz NDXNMHGZOGEACC-NWDGAFQWSA-N 1 3 198.354 2.106 20 0 AEADHO CCCCC[C@@H]1CCCN1C[C@@H](C)[NH3+] 652343675 409352240 /nfs/dbraw/zinc/35/22/40/409352240.db2.gz DDQKAWREYRXEKU-VXGBXAGGSA-N 1 3 198.354 2.378 20 0 AEADHO CC(C)CC[C@H]1CCCN1C[C@@H](C)[NH3+] 652343506 409352319 /nfs/dbraw/zinc/35/23/19/409352319.db2.gz OAKAKTXAHSJMEN-VXGBXAGGSA-N 1 3 198.354 2.234 20 0 AEADHO CCCCC[C@H]1CCCN1C[C@H](C)[NH3+] 652343674 409352615 /nfs/dbraw/zinc/35/26/15/409352615.db2.gz DDQKAWREYRXEKU-RYUDHWBXSA-N 1 3 198.354 2.378 20 0 AEADHO CCCCC[C@@H]1CCCN1C[C@H](C)[NH3+] 652343673 409352834 /nfs/dbraw/zinc/35/28/34/409352834.db2.gz DDQKAWREYRXEKU-NWDGAFQWSA-N 1 3 198.354 2.378 20 0 AEADHO CNCCC[N@H+](C)[C@H]1CCCC[C@H]1C 42609945 409353042 /nfs/dbraw/zinc/35/30/42/409353042.db2.gz NDXNMHGZOGEACC-NEPJUHHUSA-N 1 3 198.354 2.106 20 0 AEADHO CNCCC[N@@H+](C)[C@H]1CCCC[C@H]1C 42609945 409353048 /nfs/dbraw/zinc/35/30/48/409353048.db2.gz NDXNMHGZOGEACC-NEPJUHHUSA-N 1 3 198.354 2.106 20 0 AEADHO CCCCC[C@H]1CCCN1C[C@@H](C)[NH3+] 652343672 409353083 /nfs/dbraw/zinc/35/30/83/409353083.db2.gz DDQKAWREYRXEKU-NEPJUHHUSA-N 1 3 198.354 2.378 20 0 AEADHO CC(C)CC[C@@H]1CCCN1C[C@H](C)[NH3+] 652343505 409353338 /nfs/dbraw/zinc/35/33/38/409353338.db2.gz OAKAKTXAHSJMEN-RYUDHWBXSA-N 1 3 198.354 2.234 20 0 AEADHO CC(C)CC[C@@H]1CCCN1C[C@@H](C)[NH3+] 652343503 409353407 /nfs/dbraw/zinc/35/34/07/409353407.db2.gz OAKAKTXAHSJMEN-NEPJUHHUSA-N 1 3 198.354 2.234 20 0 AEADHO CNCCC[N@@H+](C)[C@H]1CCCC[C@@H]1C 42609946 409354188 /nfs/dbraw/zinc/35/41/88/409354188.db2.gz NDXNMHGZOGEACC-RYUDHWBXSA-N 1 3 198.354 2.106 20 0 AEADHO CCCCN(C1CC[NH2+]CC1)C1CC1 43501182 409354121 /nfs/dbraw/zinc/35/41/21/409354121.db2.gz WQUTVYIBUAHVTK-UHFFFAOYSA-N 1 3 196.338 2.003 20 0 AEADHO CNCCC[N@H+](C)[C@H]1CCCC[C@@H]1C 42609946 409354181 /nfs/dbraw/zinc/35/41/81/409354181.db2.gz NDXNMHGZOGEACC-RYUDHWBXSA-N 1 3 198.354 2.106 20 0 AEADHO CNCCC[N@H+](C)[C@@H]1CCCC[C@H]1C 42609947 409354667 /nfs/dbraw/zinc/35/46/67/409354667.db2.gz NDXNMHGZOGEACC-VXGBXAGGSA-N 1 3 198.354 2.106 20 0 AEADHO CNCCC[N@@H+](C)[C@@H]1CCCC[C@H]1C 42609947 409354672 /nfs/dbraw/zinc/35/46/72/409354672.db2.gz NDXNMHGZOGEACC-VXGBXAGGSA-N 1 3 198.354 2.106 20 0 AEADHO CC(C)CC[C@H](C)NCC[NH2+]C1CC1 53388391 409388179 /nfs/dbraw/zinc/38/81/79/409388179.db2.gz ARAPTQKMRBGHNW-NSHDSACASA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)CC[C@@H](C)NCC[NH2+]C1CC1 53388390 409388260 /nfs/dbraw/zinc/38/82/60/409388260.db2.gz ARAPTQKMRBGHNW-LLVKDONJSA-N 1 3 198.354 2.153 20 0 AEADHO CCNCCC[NH2+]C1CCCCCC1 61299722 409398565 /nfs/dbraw/zinc/39/85/65/409398565.db2.gz YSTYVTBPGKTFIN-UHFFFAOYSA-N 1 3 198.354 2.298 20 0 AEADHO CCCC[C@H](C)[NH2+]CCCNCC 61299958 409398695 /nfs/dbraw/zinc/39/86/95/409398695.db2.gz OVAHTNJHBUBOCL-NSHDSACASA-N 1 3 186.343 2.154 20 0 AEADHO CCCC[C@@H](C)[NH2+]CCCNCC 61299957 409399071 /nfs/dbraw/zinc/39/90/71/409399071.db2.gz OVAHTNJHBUBOCL-LLVKDONJSA-N 1 3 186.343 2.154 20 0 AEADHO CC(C)CCCN1CC[C@H]([NH3+])[C@@H](C)C1 62097944 409400884 /nfs/dbraw/zinc/40/08/84/409400884.db2.gz UPFIQEOEGYXBAZ-RYUDHWBXSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)CCC[N@@H+]1CC[C@H](N)[C@@H](C)C1 62097944 409400887 /nfs/dbraw/zinc/40/08/87/409400887.db2.gz UPFIQEOEGYXBAZ-RYUDHWBXSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)CCC[N@H+]1CC[C@H](N)[C@@H](C)C1 62097944 409400889 /nfs/dbraw/zinc/40/08/89/409400889.db2.gz UPFIQEOEGYXBAZ-RYUDHWBXSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)CCCN1CC[C@H]([NH3+])C[C@H]1C 62097963 409401283 /nfs/dbraw/zinc/40/12/83/409401283.db2.gz GXLRQPSJVTXENX-NEPJUHHUSA-N 1 3 198.354 2.234 20 0 AEADHO CC(C)CCC[N@@H+]1CC[C@H](N)C[C@H]1C 62097963 409401286 /nfs/dbraw/zinc/40/12/86/409401286.db2.gz GXLRQPSJVTXENX-NEPJUHHUSA-N 1 3 198.354 2.234 20 0 AEADHO CC(C)CCC[N@H+]1CC[C@H](N)C[C@H]1C 62097963 409401292 /nfs/dbraw/zinc/40/12/92/409401292.db2.gz GXLRQPSJVTXENX-NEPJUHHUSA-N 1 3 198.354 2.234 20 0 AEADHO CC(C)CCCN1CC[C@H]([NH3+])[C@H](C)C1 62097943 409401791 /nfs/dbraw/zinc/40/17/91/409401791.db2.gz UPFIQEOEGYXBAZ-NEPJUHHUSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)CCC[N@@H+]1CC[C@H](N)[C@H](C)C1 62097943 409401797 /nfs/dbraw/zinc/40/17/97/409401797.db2.gz UPFIQEOEGYXBAZ-NEPJUHHUSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)CCC[N@H+]1CC[C@H](N)[C@H](C)C1 62097943 409401803 /nfs/dbraw/zinc/40/18/03/409401803.db2.gz UPFIQEOEGYXBAZ-NEPJUHHUSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)CCCN1CC[C@@H]([NH3+])C[C@H]1C 62097960 409402345 /nfs/dbraw/zinc/40/23/45/409402345.db2.gz GXLRQPSJVTXENX-VXGBXAGGSA-N 1 3 198.354 2.234 20 0 AEADHO CC(C)CCC[N@@H+]1CC[C@@H](N)C[C@H]1C 62097960 409402350 /nfs/dbraw/zinc/40/23/50/409402350.db2.gz GXLRQPSJVTXENX-VXGBXAGGSA-N 1 3 198.354 2.234 20 0 AEADHO CC(C)CCC[N@H+]1CC[C@@H](N)C[C@H]1C 62097960 409402355 /nfs/dbraw/zinc/40/23/55/409402355.db2.gz GXLRQPSJVTXENX-VXGBXAGGSA-N 1 3 198.354 2.234 20 0 AEADHO CC(C)CCCN1CC[C@H]([NH3+])C[C@@H]1C 62097965 409402690 /nfs/dbraw/zinc/40/26/90/409402690.db2.gz GXLRQPSJVTXENX-RYUDHWBXSA-N 1 3 198.354 2.234 20 0 AEADHO CC(C)CCC[N@@H+]1CC[C@H](N)C[C@@H]1C 62097965 409402691 /nfs/dbraw/zinc/40/26/91/409402691.db2.gz GXLRQPSJVTXENX-RYUDHWBXSA-N 1 3 198.354 2.234 20 0 AEADHO CC(C)CCC[N@H+]1CC[C@H](N)C[C@@H]1C 62097965 409402692 /nfs/dbraw/zinc/40/26/92/409402692.db2.gz GXLRQPSJVTXENX-RYUDHWBXSA-N 1 3 198.354 2.234 20 0 AEADHO CC(C)CCCN1CC[C@@H]([NH3+])C[C@@H]1C 62097961 409402764 /nfs/dbraw/zinc/40/27/64/409402764.db2.gz GXLRQPSJVTXENX-NWDGAFQWSA-N 1 3 198.354 2.234 20 0 AEADHO CC(C)CCC[N@@H+]1CC[C@@H](N)C[C@@H]1C 62097961 409402767 /nfs/dbraw/zinc/40/27/67/409402767.db2.gz GXLRQPSJVTXENX-NWDGAFQWSA-N 1 3 198.354 2.234 20 0 AEADHO CC(C)CCC[N@H+]1CC[C@@H](N)C[C@@H]1C 62097961 409402769 /nfs/dbraw/zinc/40/27/69/409402769.db2.gz GXLRQPSJVTXENX-NWDGAFQWSA-N 1 3 198.354 2.234 20 0 AEADHO CCC1(C)CCN(CCC[NH2+]C)CC1 62953079 409405140 /nfs/dbraw/zinc/40/51/40/409405140.db2.gz MSHXVYKYIFHEBS-UHFFFAOYSA-N 1 3 198.354 2.108 20 0 AEADHO CCC1(C)CC[NH+](CCCNC)CC1 62953079 409405142 /nfs/dbraw/zinc/40/51/42/409405142.db2.gz MSHXVYKYIFHEBS-UHFFFAOYSA-N 1 3 198.354 2.108 20 0 AEADHO CCC(C)(C)[N@H+](C)C[C@H]1CCCNC1 68998230 409408473 /nfs/dbraw/zinc/40/84/73/409408473.db2.gz YAAHFYNIUKNGSA-NSHDSACASA-N 1 3 198.354 2.106 20 0 AEADHO CCC(C)(C)[N@@H+](C)C[C@H]1CCCNC1 68998230 409408477 /nfs/dbraw/zinc/40/84/77/409408477.db2.gz YAAHFYNIUKNGSA-NSHDSACASA-N 1 3 198.354 2.106 20 0 AEADHO CCC(C)(C)[N@H+](C)C[C@@H]1CCCNC1 68998227 409409035 /nfs/dbraw/zinc/40/90/35/409409035.db2.gz YAAHFYNIUKNGSA-LLVKDONJSA-N 1 3 198.354 2.106 20 0 AEADHO CCC(C)(C)[N@@H+](C)C[C@@H]1CCCNC1 68998227 409409039 /nfs/dbraw/zinc/40/90/39/409409039.db2.gz YAAHFYNIUKNGSA-LLVKDONJSA-N 1 3 198.354 2.106 20 0 AEADHO CC1(CC[NH2+][C@@H]2CCC[C@H](N)C2)CC1 656198673 409424694 /nfs/dbraw/zinc/42/46/94/409424694.db2.gz CBGIUSFSVWJROA-WDEREUQCSA-N 1 3 196.338 2.036 20 0 AEADHO CC1(CC[NH2+][C@H]2CCC[C@@H](N)C2)CC1 656198671 409424561 /nfs/dbraw/zinc/42/45/61/409424561.db2.gz CBGIUSFSVWJROA-MNOVXSKESA-N 1 3 196.338 2.036 20 0 AEADHO CC1(CC[NH2+][C@H]2CCC[C@H](N)C2)CC1 656198672 409424633 /nfs/dbraw/zinc/42/46/33/409424633.db2.gz CBGIUSFSVWJROA-QWRGUYRKSA-N 1 3 196.338 2.036 20 0 AEADHO CC(C)C1([NH2+][C@H]2CCC[C@H](N)C2)CC1 656199111 409424702 /nfs/dbraw/zinc/42/47/02/409424702.db2.gz MJBZBAVBYQHUCF-QWRGUYRKSA-N 1 3 196.338 2.035 20 0 AEADHO CC(C)C1([NH2+][C@@H]2CCC[C@H](N)C2)CC1 656199112 409424911 /nfs/dbraw/zinc/42/49/11/409424911.db2.gz MJBZBAVBYQHUCF-WDEREUQCSA-N 1 3 196.338 2.035 20 0 AEADHO CC(C)C1([NH2+][C@@H]2CCC[C@@H](N)C2)CC1 656199109 409425023 /nfs/dbraw/zinc/42/50/23/409425023.db2.gz MJBZBAVBYQHUCF-GHMZBOCLSA-N 1 3 196.338 2.035 20 0 AEADHO CC(C)C1([NH2+][C@H]2CCC[C@@H](N)C2)CC1 656199110 409425055 /nfs/dbraw/zinc/42/50/55/409425055.db2.gz MJBZBAVBYQHUCF-MNOVXSKESA-N 1 3 196.338 2.035 20 0 AEADHO CC1(CC[NH2+][C@@H]2CCC[C@@H](N)C2)CC1 656198668 409425285 /nfs/dbraw/zinc/42/52/85/409425285.db2.gz CBGIUSFSVWJROA-GHMZBOCLSA-N 1 3 196.338 2.036 20 0 AEADHO CC[C@H]1CCC[N@H+](CCCNC)CC1 70613226 409430676 /nfs/dbraw/zinc/43/06/76/409430676.db2.gz UXEDAZIOFWAQEO-LBPRGKRZSA-N 1 3 198.354 2.108 20 0 AEADHO CC[C@H]1CCC[N@@H+](CCCNC)CC1 70613226 409430680 /nfs/dbraw/zinc/43/06/80/409430680.db2.gz UXEDAZIOFWAQEO-LBPRGKRZSA-N 1 3 198.354 2.108 20 0 AEADHO CC[C@H]1CCCN(CCC[NH2+]C)CC1 70613226 409430683 /nfs/dbraw/zinc/43/06/83/409430683.db2.gz UXEDAZIOFWAQEO-LBPRGKRZSA-N 1 3 198.354 2.108 20 0 AEADHO CC[C@@H]1CCC[N@H+](CCCNC)CC1 70613225 409431902 /nfs/dbraw/zinc/43/19/02/409431902.db2.gz UXEDAZIOFWAQEO-GFCCVEGCSA-N 1 3 198.354 2.108 20 0 AEADHO CC[C@@H]1CCC[N@@H+](CCCNC)CC1 70613225 409431905 /nfs/dbraw/zinc/43/19/05/409431905.db2.gz UXEDAZIOFWAQEO-GFCCVEGCSA-N 1 3 198.354 2.108 20 0 AEADHO CC[C@@H]1CCCN(CCC[NH2+]C)CC1 70613225 409431910 /nfs/dbraw/zinc/43/19/10/409431910.db2.gz UXEDAZIOFWAQEO-GFCCVEGCSA-N 1 3 198.354 2.108 20 0 AEADHO CCC1(CC)CCC[N@H+](CCCN)C1 656792418 409451635 /nfs/dbraw/zinc/45/16/35/409451635.db2.gz QAXJMRNMUMCLNI-UHFFFAOYSA-N 1 3 198.354 2.237 20 0 AEADHO CCC1(CC)CCC[N@@H+](CCCN)C1 656792418 409451637 /nfs/dbraw/zinc/45/16/37/409451637.db2.gz QAXJMRNMUMCLNI-UHFFFAOYSA-N 1 3 198.354 2.237 20 0 AEADHO CCC1(CC)CCCN(CCC[NH3+])C1 656792418 409451642 /nfs/dbraw/zinc/45/16/42/409451642.db2.gz QAXJMRNMUMCLNI-UHFFFAOYSA-N 1 3 198.354 2.237 20 0 AEADHO CC[C@@H](C)C[C@@H](CC)[NH2+][C@H]1CCNC1 656788195 409451702 /nfs/dbraw/zinc/45/17/02/409451702.db2.gz SWLOKIRBDNFYTK-UTUOFQBUSA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CCNC1 656788193 409452150 /nfs/dbraw/zinc/45/21/50/409452150.db2.gz SWLOKIRBDNFYTK-SRVKXCTJSA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@H](C)C[C@@H](CC)[NH2+][C@H]1CCNC1 656788194 409452858 /nfs/dbraw/zinc/45/28/58/409452858.db2.gz SWLOKIRBDNFYTK-TUAOUCFPSA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@@H](C[C@H](C)CC)[NH2+][C@H]1CCNC1 656788196 409453003 /nfs/dbraw/zinc/45/30/03/409453003.db2.gz SWLOKIRBDNFYTK-WOPDTQHZSA-N 1 3 198.354 2.153 20 0 AEADHO CCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 106869011 409456720 /nfs/dbraw/zinc/45/67/20/409456720.db2.gz ZTRVTUPKKGOOCL-VXGBXAGGSA-N 1 3 196.338 2.003 20 0 AEADHO CCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 106869011 409456724 /nfs/dbraw/zinc/45/67/24/409456724.db2.gz ZTRVTUPKKGOOCL-VXGBXAGGSA-N 1 3 196.338 2.003 20 0 AEADHO 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AEADHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccccc1 107785247 409459807 /nfs/dbraw/zinc/45/98/07/409459807.db2.gz ALVQMLJXQUWPLB-CMPLNLGQSA-N 1 3 192.306 2.075 20 0 AEADHO CNCCC[N@@H+]1CCCC[C@H]1C(C)C 108310501 409460209 /nfs/dbraw/zinc/46/02/09/409460209.db2.gz HWYCNUDTDZGWKO-LBPRGKRZSA-N 1 3 198.354 2.106 20 0 AEADHO CNCCC[N@H+]1CCCC[C@H]1C(C)C 108310501 409460214 /nfs/dbraw/zinc/46/02/14/409460214.db2.gz HWYCNUDTDZGWKO-LBPRGKRZSA-N 1 3 198.354 2.106 20 0 AEADHO C[NH2+]CCCN(CCC(C)C)C1CC1 109278880 409461986 /nfs/dbraw/zinc/46/19/86/409461986.db2.gz ZNWGVLRAOXTSRF-UHFFFAOYSA-N 1 3 198.354 2.106 20 0 AEADHO CNCCC[N@H+](CCC(C)C)C1CC1 109278880 409461989 /nfs/dbraw/zinc/46/19/89/409461989.db2.gz ZNWGVLRAOXTSRF-UHFFFAOYSA-N 1 3 198.354 2.106 20 0 AEADHO CNCCC[N@@H+](CCC(C)C)C1CC1 109278880 409461992 /nfs/dbraw/zinc/46/19/92/409461992.db2.gz ZNWGVLRAOXTSRF-UHFFFAOYSA-N 1 3 198.354 2.106 20 0 AEADHO CCC(CC)C[N@@H+]1C[C@H](CN)C[C@@H]1C 126772981 409474871 /nfs/dbraw/zinc/47/48/71/409474871.db2.gz RFPAQRWKDFZLJA-JQWIXIFHSA-N 1 3 198.354 2.092 20 0 AEADHO CCC(CC)C[N@H+]1C[C@H](CN)C[C@@H]1C 126772981 409474874 /nfs/dbraw/zinc/47/48/74/409474874.db2.gz RFPAQRWKDFZLJA-JQWIXIFHSA-N 1 3 198.354 2.092 20 0 AEADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCC(C)(C)C 126733860 409474924 /nfs/dbraw/zinc/47/49/24/409474924.db2.gz BLUBIDIDMXYTKZ-WDEREUQCSA-N 1 3 198.354 2.092 20 0 AEADHO C[C@H]1C[C@H](CN)C[N@H+]1CCC(C)(C)C 126733860 409474930 /nfs/dbraw/zinc/47/49/30/409474930.db2.gz BLUBIDIDMXYTKZ-WDEREUQCSA-N 1 3 198.354 2.092 20 0 AEADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCC(C)(C)C 126734296 409475353 /nfs/dbraw/zinc/47/53/53/409475353.db2.gz BLUBIDIDMXYTKZ-QWRGUYRKSA-N 1 3 198.354 2.092 20 0 AEADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCC(C)(C)C 126734296 409475356 /nfs/dbraw/zinc/47/53/56/409475356.db2.gz BLUBIDIDMXYTKZ-QWRGUYRKSA-N 1 3 198.354 2.092 20 0 AEADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCC(C)(C)C 126734090 409475435 /nfs/dbraw/zinc/47/54/35/409475435.db2.gz BLUBIDIDMXYTKZ-MNOVXSKESA-N 1 3 198.354 2.092 20 0 AEADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCC(C)(C)C 126734090 409475439 /nfs/dbraw/zinc/47/54/39/409475439.db2.gz BLUBIDIDMXYTKZ-MNOVXSKESA-N 1 3 198.354 2.092 20 0 AEADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCC(C)(C)C 126733649 409476215 /nfs/dbraw/zinc/47/62/15/409476215.db2.gz BLUBIDIDMXYTKZ-GHMZBOCLSA-N 1 3 198.354 2.092 20 0 AEADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCC(C)(C)C 126733649 409476219 /nfs/dbraw/zinc/47/62/19/409476219.db2.gz BLUBIDIDMXYTKZ-GHMZBOCLSA-N 1 3 198.354 2.092 20 0 AEADHO CCC(CC)C[N@@H+]1C[C@@H](CN)C[C@@H]1C 126773227 409477290 /nfs/dbraw/zinc/47/72/90/409477290.db2.gz RFPAQRWKDFZLJA-CMPLNLGQSA-N 1 3 198.354 2.092 20 0 AEADHO CCC(CC)C[N@H+]1C[C@@H](CN)C[C@@H]1C 126773227 409477295 /nfs/dbraw/zinc/47/72/95/409477295.db2.gz RFPAQRWKDFZLJA-CMPLNLGQSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)NCCC[NH2+][C@@H]1CC[C@@H](C)C1 129379055 409479892 /nfs/dbraw/zinc/47/98/92/409479892.db2.gz FSGOOUQNSJTELS-VXGBXAGGSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)NCCC[NH2+][C@H]1CC[C@@H](C)C1 129378606 409480287 /nfs/dbraw/zinc/48/02/87/409480287.db2.gz FSGOOUQNSJTELS-NEPJUHHUSA-N 1 3 198.354 2.153 20 0 AEADHO CCNCCC[NH2+][C@@H]1CCC(C)(C)C1 129560804 409480426 /nfs/dbraw/zinc/48/04/26/409480426.db2.gz BULYYDGIWIYHQW-LLVKDONJSA-N 1 3 198.354 2.154 20 0 AEADHO CC(C)NCCC[NH2+][C@H]1CC[C@H](C)C1 129378822 409480916 /nfs/dbraw/zinc/48/09/16/409480916.db2.gz FSGOOUQNSJTELS-RYUDHWBXSA-N 1 3 198.354 2.153 20 0 AEADHO CCNCCC[NH2+][C@H]1CCC(C)(C)C1 129560990 409481169 /nfs/dbraw/zinc/48/11/69/409481169.db2.gz BULYYDGIWIYHQW-NSHDSACASA-N 1 3 198.354 2.154 20 0 AEADHO CC(C)NCCC[NH2+][C@@H]1CC[C@H](C)C1 129379275 409481688 /nfs/dbraw/zinc/48/16/88/409481688.db2.gz FSGOOUQNSJTELS-NWDGAFQWSA-N 1 3 198.354 2.153 20 0 AEADHO CCCCC[N@@H+]1CC[C@@H](N)[C@H](CC)C1 134090895 409499481 /nfs/dbraw/zinc/49/94/81/409499481.db2.gz WYQVEGUUHOWXQB-VXGBXAGGSA-N 1 3 198.354 2.236 20 0 AEADHO CCCCC[N@H+]1CC[C@@H](N)[C@H](CC)C1 134090895 409499487 /nfs/dbraw/zinc/49/94/87/409499487.db2.gz WYQVEGUUHOWXQB-VXGBXAGGSA-N 1 3 198.354 2.236 20 0 AEADHO CCCCCN1CC[C@@H]([NH3+])[C@H](CC)C1 134090895 409499492 /nfs/dbraw/zinc/49/94/92/409499492.db2.gz WYQVEGUUHOWXQB-VXGBXAGGSA-N 1 3 198.354 2.236 20 0 AEADHO CCCCC[N@@H+]1CC[C@H](N)[C@H](CC)C1 134090694 409499930 /nfs/dbraw/zinc/49/99/30/409499930.db2.gz WYQVEGUUHOWXQB-NEPJUHHUSA-N 1 3 198.354 2.236 20 0 AEADHO CCCCC[N@H+]1CC[C@H](N)[C@H](CC)C1 134090694 409499936 /nfs/dbraw/zinc/49/99/36/409499936.db2.gz WYQVEGUUHOWXQB-NEPJUHHUSA-N 1 3 198.354 2.236 20 0 AEADHO CCCCCN1CC[C@H]([NH3+])[C@H](CC)C1 134090694 409499942 /nfs/dbraw/zinc/49/99/42/409499942.db2.gz WYQVEGUUHOWXQB-NEPJUHHUSA-N 1 3 198.354 2.236 20 0 AEADHO CC[C@H](C)[N@H+](C)CC[C@H](N)C(C)C 134161981 409500153 /nfs/dbraw/zinc/50/01/53/409500153.db2.gz BWBIMQWSVBOFNN-QWRGUYRKSA-N 1 3 186.343 2.090 20 0 AEADHO CC[C@@H](C)[N@H+](C)CC[C@H](N)C(C)C 134161800 409500126 /nfs/dbraw/zinc/50/01/26/409500126.db2.gz BWBIMQWSVBOFNN-MNOVXSKESA-N 1 3 186.343 2.090 20 0 AEADHO CC[C@@H](C)[N@@H+](C)CC[C@H](N)C(C)C 134161800 409500132 /nfs/dbraw/zinc/50/01/32/409500132.db2.gz BWBIMQWSVBOFNN-MNOVXSKESA-N 1 3 186.343 2.090 20 0 AEADHO CC[C@@H](C)N(C)CC[C@H]([NH3+])C(C)C 134161800 409500136 /nfs/dbraw/zinc/50/01/36/409500136.db2.gz BWBIMQWSVBOFNN-MNOVXSKESA-N 1 3 186.343 2.090 20 0 AEADHO CC[C@H](C)[N@@H+](C)CC[C@H](N)C(C)C 134161981 409500157 /nfs/dbraw/zinc/50/01/57/409500157.db2.gz BWBIMQWSVBOFNN-QWRGUYRKSA-N 1 3 186.343 2.090 20 0 AEADHO CC[C@H](C)N(C)CC[C@H]([NH3+])C(C)C 134161981 409500163 /nfs/dbraw/zinc/50/01/63/409500163.db2.gz BWBIMQWSVBOFNN-QWRGUYRKSA-N 1 3 186.343 2.090 20 0 AEADHO CCCCC[NH2+][C@H]1CCNCC1(C)C 167919146 409504260 /nfs/dbraw/zinc/50/42/60/409504260.db2.gz DZGDZODTDPNVHH-NSHDSACASA-N 1 3 198.354 2.154 20 0 AEADHO CCCCC[NH2+][C@@H]1CCNCC1(C)C 167919039 409504287 /nfs/dbraw/zinc/50/42/87/409504287.db2.gz DZGDZODTDPNVHH-LLVKDONJSA-N 1 3 198.354 2.154 20 0 AEADHO CC(C)(C)CCCN1CCC[C@@H]1C[NH3+] 300947197 409540232 /nfs/dbraw/zinc/54/02/32/409540232.db2.gz WTBMYKJUDVEHQY-LLVKDONJSA-N 1 3 198.354 2.236 20 0 AEADHO CC(C)C[C@H](C)CN1CCC([NH3+])CC1 300739941 409536215 /nfs/dbraw/zinc/53/62/15/409536215.db2.gz ASPPHNKUGIIRJT-NSHDSACASA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)C[C@H](C)C[NH+]1CCC(N)CC1 300739941 409536217 /nfs/dbraw/zinc/53/62/17/409536217.db2.gz ASPPHNKUGIIRJT-NSHDSACASA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)(C)CCCN1CCC([NH3+])CC1 300878604 409536422 /nfs/dbraw/zinc/53/64/22/409536422.db2.gz RCNTZOGBIJCHSB-UHFFFAOYSA-N 1 3 198.354 2.236 20 0 AEADHO CC(C)C[C@@H](C)CN1CCC([NH3+])CC1 300739937 409536568 /nfs/dbraw/zinc/53/65/68/409536568.db2.gz ASPPHNKUGIIRJT-LLVKDONJSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)C[C@@H](C)C[NH+]1CCC(N)CC1 300739937 409536576 /nfs/dbraw/zinc/53/65/76/409536576.db2.gz ASPPHNKUGIIRJT-LLVKDONJSA-N 1 3 198.354 2.092 20 0 AEADHO C[N@H+](CCCN)CCCC(C)(C)C 300860518 409536641 /nfs/dbraw/zinc/53/66/41/409536641.db2.gz NNRNLDLZYUAVNU-UHFFFAOYSA-N 1 3 186.343 2.093 20 0 AEADHO C[N@@H+](CCCN)CCCC(C)(C)C 300860518 409536647 /nfs/dbraw/zinc/53/66/47/409536647.db2.gz NNRNLDLZYUAVNU-UHFFFAOYSA-N 1 3 186.343 2.093 20 0 AEADHO CN(CCC[NH3+])CCCC(C)(C)C 300860518 409536656 /nfs/dbraw/zinc/53/66/56/409536656.db2.gz NNRNLDLZYUAVNU-UHFFFAOYSA-N 1 3 186.343 2.093 20 0 AEADHO CC(C)(C)CCC[N@@H+]1CC[C@H](CN)C1 300821313 409537673 /nfs/dbraw/zinc/53/76/73/409537673.db2.gz HBJGTIWGWJHATD-LLVKDONJSA-N 1 3 198.354 2.093 20 0 AEADHO CC(C)(C)CCC[N@H+]1CC[C@H](CN)C1 300821313 409537677 /nfs/dbraw/zinc/53/76/77/409537677.db2.gz HBJGTIWGWJHATD-LLVKDONJSA-N 1 3 198.354 2.093 20 0 AEADHO CC(C)(C)CCC[N@@H+]1CC[C@@H](CN)C1 300821316 409538315 /nfs/dbraw/zinc/53/83/15/409538315.db2.gz HBJGTIWGWJHATD-NSHDSACASA-N 1 3 198.354 2.093 20 0 AEADHO CC(C)(C)CCC[N@H+]1CC[C@@H](CN)C1 300821316 409538322 /nfs/dbraw/zinc/53/83/22/409538322.db2.gz HBJGTIWGWJHATD-NSHDSACASA-N 1 3 198.354 2.093 20 0 AEADHO CC(C)C[C@H]1CCN(CC(C)(C)[NH3+])C1 307811119 409672696 /nfs/dbraw/zinc/67/26/96/409672696.db2.gz NSHMMVPDQNTENB-LLVKDONJSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)C[C@@H]1CCN(CC(C)(C)[NH3+])C1 307811120 409673201 /nfs/dbraw/zinc/67/32/01/409673201.db2.gz NSHMMVPDQNTENB-NSHDSACASA-N 1 3 198.354 2.092 20 0 AEADHO C[C@H]([NH2+]CC(C)(C)N)c1cccs1 308216430 409698924 /nfs/dbraw/zinc/69/89/24/409698924.db2.gz ZWMVHIRAHUACAX-QMMMGPOBSA-N 1 3 198.335 2.136 20 0 AEADHO C[C@@H]([NH2+]CC(C)(C)N)c1cccs1 308216429 409699035 /nfs/dbraw/zinc/69/90/35/409699035.db2.gz ZWMVHIRAHUACAX-MRVPVSSYSA-N 1 3 198.335 2.136 20 0 AEADHO CC(C)=CCCN(C)C1CC[NH2+]CC1 662238768 409703552 /nfs/dbraw/zinc/70/35/52/409703552.db2.gz VXWVTWWWTTVMLE-UHFFFAOYSA-N 1 3 196.338 2.027 20 0 AEADHO CC(C)=CCC[N@H+]1C[C@@H](CN)C[C@@H]1C 662265530 409704943 /nfs/dbraw/zinc/70/49/43/409704943.db2.gz QQIKXSFJFVYJSP-NWDGAFQWSA-N 1 3 196.338 2.012 20 0 AEADHO CC(C)=CCC[N@@H+]1C[C@@H](CN)C[C@@H]1C 662265530 409704947 /nfs/dbraw/zinc/70/49/47/409704947.db2.gz QQIKXSFJFVYJSP-NWDGAFQWSA-N 1 3 196.338 2.012 20 0 AEADHO CC(C)=CCC[N@@H+]1CC[C@@](C)(CN)C1 662274042 409705930 /nfs/dbraw/zinc/70/59/30/409705930.db2.gz SMMNVSIAFFQLNY-LBPRGKRZSA-N 1 3 196.338 2.013 20 0 AEADHO CC(C)=CCC[N@H+]1CC[C@@](C)(CN)C1 662274042 409705936 /nfs/dbraw/zinc/70/59/36/409705936.db2.gz SMMNVSIAFFQLNY-LBPRGKRZSA-N 1 3 196.338 2.013 20 0 AEADHO CC(C)=CCC[N@H+]1C[C@H](CN)C[C@@H]1C 662265531 409706062 /nfs/dbraw/zinc/70/60/62/409706062.db2.gz QQIKXSFJFVYJSP-RYUDHWBXSA-N 1 3 196.338 2.012 20 0 AEADHO CC(C)=CCC[N@@H+]1C[C@H](CN)C[C@@H]1C 662265531 409706070 /nfs/dbraw/zinc/70/60/70/409706070.db2.gz QQIKXSFJFVYJSP-RYUDHWBXSA-N 1 3 196.338 2.012 20 0 AEADHO CC(C)=CCC[N@H+]1C[C@@H](CN)C[C@H]1C 662265532 409706628 /nfs/dbraw/zinc/70/66/28/409706628.db2.gz QQIKXSFJFVYJSP-VXGBXAGGSA-N 1 3 196.338 2.012 20 0 AEADHO CC(C)=CCC[N@@H+]1C[C@@H](CN)C[C@H]1C 662265532 409706633 /nfs/dbraw/zinc/70/66/33/409706633.db2.gz QQIKXSFJFVYJSP-VXGBXAGGSA-N 1 3 196.338 2.012 20 0 AEADHO CC(C)=CCCN1CCC(C)([NH3+])CC1 662271531 409707174 /nfs/dbraw/zinc/70/71/74/409707174.db2.gz VWUDXNDZJXKOJN-UHFFFAOYSA-N 1 3 196.338 2.156 20 0 AEADHO CC(C)=CCCN(C)CC(C)(C)C[NH3+] 662247939 409707688 /nfs/dbraw/zinc/70/76/88/409707688.db2.gz PEMPTXVLLVOJMM-UHFFFAOYSA-N 1 3 198.354 2.259 20 0 AEADHO CC(C)=CCC[N@H+]1C[C@H](CN)C[C@H]1C 662265528 409707800 /nfs/dbraw/zinc/70/78/00/409707800.db2.gz QQIKXSFJFVYJSP-NEPJUHHUSA-N 1 3 196.338 2.012 20 0 AEADHO CC(C)=CCC[N@@H+]1C[C@H](CN)C[C@H]1C 662265528 409707804 /nfs/dbraw/zinc/70/78/04/409707804.db2.gz QQIKXSFJFVYJSP-NEPJUHHUSA-N 1 3 196.338 2.012 20 0 AEADHO CC(C)=CCC[N@@H+]1CC[C@](C)(CN)C1 662274041 409708134 /nfs/dbraw/zinc/70/81/34/409708134.db2.gz SMMNVSIAFFQLNY-GFCCVEGCSA-N 1 3 196.338 2.013 20 0 AEADHO CC(C)=CCC[N@H+]1CC[C@](C)(CN)C1 662274041 409708140 /nfs/dbraw/zinc/70/81/40/409708140.db2.gz SMMNVSIAFFQLNY-GFCCVEGCSA-N 1 3 196.338 2.013 20 0 AEADHO C[NH2+]CCCN(C)CCCC1CCC1 662280923 409710534 /nfs/dbraw/zinc/71/05/34/409710534.db2.gz HTSYFFKIJQVQDT-UHFFFAOYSA-N 1 3 198.354 2.108 20 0 AEADHO CNCCC[N@H+](C)CCCC1CCC1 662280923 409710540 /nfs/dbraw/zinc/71/05/40/409710540.db2.gz HTSYFFKIJQVQDT-UHFFFAOYSA-N 1 3 198.354 2.108 20 0 AEADHO CNCCC[N@@H+](C)CCCC1CCC1 662280923 409710543 /nfs/dbraw/zinc/71/05/43/409710543.db2.gz HTSYFFKIJQVQDT-UHFFFAOYSA-N 1 3 198.354 2.108 20 0 AEADHO CC[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC 662318830 409714780 /nfs/dbraw/zinc/71/47/80/409714780.db2.gz HHVNVOULDRVEIA-NWDGAFQWSA-N 1 3 198.354 2.249 20 0 AEADHO CC[C@@H]1CCC[C@H](C)[N@H+]1CCCNC 662318830 409714788 /nfs/dbraw/zinc/71/47/88/409714788.db2.gz HHVNVOULDRVEIA-NWDGAFQWSA-N 1 3 198.354 2.249 20 0 AEADHO C[C@@H](CCC[NH3+])N[C@@H](C)c1ccco1 308549082 409732922 /nfs/dbraw/zinc/73/29/22/409732922.db2.gz QTWATMYXISEEOA-UWVGGRQHSA-N 1 3 196.294 2.058 20 0 AEADHO C[C@@H](CCC[NH3+])N[C@H](C)c1ccco1 308549084 409733202 /nfs/dbraw/zinc/73/32/02/409733202.db2.gz QTWATMYXISEEOA-VHSXEESVSA-N 1 3 196.294 2.058 20 0 AEADHO C[C@H](CCC[NH3+])N[C@H](C)c1ccco1 308549079 409733250 /nfs/dbraw/zinc/73/32/50/409733250.db2.gz QTWATMYXISEEOA-NXEZZACHSA-N 1 3 196.294 2.058 20 0 AEADHO C[C@H](N[C@H](C)CCC[NH3+])c1ccco1 308549086 409733837 /nfs/dbraw/zinc/73/38/37/409733837.db2.gz QTWATMYXISEEOA-ZJUUUORDSA-N 1 3 196.294 2.058 20 0 AEADHO CC(C)[NH2+]CCCN[C@@H]1CCC1(C)C 308560595 409736146 /nfs/dbraw/zinc/73/61/46/409736146.db2.gz XCGGZTWGUICIBC-LLVKDONJSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)NCCC[NH2+][C@@H]1CCC1(C)C 308560595 409736153 /nfs/dbraw/zinc/73/61/53/409736153.db2.gz XCGGZTWGUICIBC-LLVKDONJSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)[NH2+]CCCN[C@H]1CCC1(C)C 308560596 409736464 /nfs/dbraw/zinc/73/64/64/409736464.db2.gz XCGGZTWGUICIBC-NSHDSACASA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)NCCC[NH2+][C@H]1CCC1(C)C 308560596 409736468 /nfs/dbraw/zinc/73/64/68/409736468.db2.gz XCGGZTWGUICIBC-NSHDSACASA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)CN 308560767 409736828 /nfs/dbraw/zinc/73/68/28/409736828.db2.gz FCIBXQJETHQYNA-IJLUTSLNSA-N 1 3 198.354 2.140 20 0 AEADHO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)CN 308560769 409736975 /nfs/dbraw/zinc/73/69/75/409736975.db2.gz FCIBXQJETHQYNA-TUAOUCFPSA-N 1 3 198.354 2.140 20 0 AEADHO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)CN 308560768 409737473 /nfs/dbraw/zinc/73/74/73/409737473.db2.gz FCIBXQJETHQYNA-QJPTWQEYSA-N 1 3 198.354 2.140 20 0 AEADHO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)CN 308560770 409737836 /nfs/dbraw/zinc/73/78/36/409737836.db2.gz FCIBXQJETHQYNA-UTUOFQBUSA-N 1 3 198.354 2.140 20 0 AEADHO CNCCC[N@@H+]1C[C@H](C)CCC[C@@H]1C 308852778 409755508 /nfs/dbraw/zinc/75/55/08/409755508.db2.gz FPEUSYGHBCSOAO-NEPJUHHUSA-N 1 3 198.354 2.106 20 0 AEADHO CNCCC[N@H+]1C[C@H](C)CCC[C@@H]1C 308852778 409755514 /nfs/dbraw/zinc/75/55/14/409755514.db2.gz FPEUSYGHBCSOAO-NEPJUHHUSA-N 1 3 198.354 2.106 20 0 AEADHO CNCCC[N@@H+]1C[C@H](C)CCC[C@H]1C 308852783 409755603 /nfs/dbraw/zinc/75/56/03/409755603.db2.gz FPEUSYGHBCSOAO-VXGBXAGGSA-N 1 3 198.354 2.106 20 0 AEADHO CNCCC[N@H+]1C[C@H](C)CCC[C@H]1C 308852783 409755611 /nfs/dbraw/zinc/75/56/11/409755611.db2.gz FPEUSYGHBCSOAO-VXGBXAGGSA-N 1 3 198.354 2.106 20 0 AEADHO CNCCC[N@@H+]1C[C@@H](C)CCC[C@H]1C 308852780 409755656 /nfs/dbraw/zinc/75/56/56/409755656.db2.gz FPEUSYGHBCSOAO-NWDGAFQWSA-N 1 3 198.354 2.106 20 0 AEADHO CNCCC[N@H+]1C[C@@H](C)CCC[C@H]1C 308852780 409755664 /nfs/dbraw/zinc/75/56/64/409755664.db2.gz FPEUSYGHBCSOAO-NWDGAFQWSA-N 1 3 198.354 2.106 20 0 AEADHO CNCCC[N@@H+]1C[C@@H](C)CCC[C@@H]1C 308852781 409756650 /nfs/dbraw/zinc/75/66/50/409756650.db2.gz FPEUSYGHBCSOAO-RYUDHWBXSA-N 1 3 198.354 2.106 20 0 AEADHO CNCCC[N@H+]1C[C@@H](C)CCC[C@@H]1C 308852781 409756659 /nfs/dbraw/zinc/75/66/59/409756659.db2.gz FPEUSYGHBCSOAO-RYUDHWBXSA-N 1 3 198.354 2.106 20 0 AEADHO CCC[C@H]1CCCN(CCC[NH2+]C)C1 308908224 409759886 /nfs/dbraw/zinc/75/98/86/409759886.db2.gz QHWQOTYFZLZYAB-LBPRGKRZSA-N 1 3 198.354 2.108 20 0 AEADHO CCC[C@H]1CCC[N@H+](CCCNC)C1 308908224 409759895 /nfs/dbraw/zinc/75/98/95/409759895.db2.gz QHWQOTYFZLZYAB-LBPRGKRZSA-N 1 3 198.354 2.108 20 0 AEADHO CCC[C@H]1CCC[N@@H+](CCCNC)C1 308908224 409759901 /nfs/dbraw/zinc/75/99/01/409759901.db2.gz QHWQOTYFZLZYAB-LBPRGKRZSA-N 1 3 198.354 2.108 20 0 AEADHO CCC[C@@H]1CCCN(CCC[NH2+]C)C1 308908223 409761351 /nfs/dbraw/zinc/76/13/51/409761351.db2.gz QHWQOTYFZLZYAB-GFCCVEGCSA-N 1 3 198.354 2.108 20 0 AEADHO CCC[C@@H]1CCC[N@H+](CCCNC)C1 308908223 409761356 /nfs/dbraw/zinc/76/13/56/409761356.db2.gz QHWQOTYFZLZYAB-GFCCVEGCSA-N 1 3 198.354 2.108 20 0 AEADHO CCC[C@@H]1CCC[N@@H+](CCCNC)C1 308908223 409761360 /nfs/dbraw/zinc/76/13/60/409761360.db2.gz QHWQOTYFZLZYAB-GFCCVEGCSA-N 1 3 198.354 2.108 20 0 AEADHO CC(C)CCCN1CCC(C)([NH3+])CC1 309144699 409770933 /nfs/dbraw/zinc/77/09/33/409770933.db2.gz UVFMTPOHVXWIPI-UHFFFAOYSA-N 1 3 198.354 2.236 20 0 AEADHO CCC(CC)C[NH+]1CCC(C)(N)CC1 309143443 409771829 /nfs/dbraw/zinc/77/18/29/409771829.db2.gz UHQDVTKWKOATIU-UHFFFAOYSA-N 1 3 198.354 2.236 20 0 AEADHO CCC(CC)CN1CCC(C)([NH3+])CC1 309143443 409771834 /nfs/dbraw/zinc/77/18/34/409771834.db2.gz UHQDVTKWKOATIU-UHFFFAOYSA-N 1 3 198.354 2.236 20 0 AEADHO CCC(C)(C)CC[NH+]1CCC(N)CC1 309102774 409772228 /nfs/dbraw/zinc/77/22/28/409772228.db2.gz GPLCDSUCBLRIJH-UHFFFAOYSA-N 1 3 198.354 2.236 20 0 AEADHO CCC(C)(C)CCN1CCC([NH3+])CC1 309102774 409772237 /nfs/dbraw/zinc/77/22/37/409772237.db2.gz GPLCDSUCBLRIJH-UHFFFAOYSA-N 1 3 198.354 2.236 20 0 AEADHO CCC1CCC(N[C@@H](C)C[NH2+]C)CC1 663510473 409787547 /nfs/dbraw/zinc/78/75/47/409787547.db2.gz QKHLVYJFIJXSSV-UNXYVOJBSA-N 1 3 198.354 2.153 20 0 AEADHO C[NH2+]C[C@H](C)NC[C@H]1CCCC[C@@H]1C 663509187 409787618 /nfs/dbraw/zinc/78/76/18/409787618.db2.gz IASBSYUKTJVEGI-SDDRHHMPSA-N 1 3 198.354 2.010 20 0 AEADHO C[NH2+]C[C@H](C)NC1CCC(C)(C)CC1 663509425 409787761 /nfs/dbraw/zinc/78/77/61/409787761.db2.gz KGGIVVGOXZJZIR-JTQLQIEISA-N 1 3 198.354 2.153 20 0 AEADHO C[NH2+]C[C@H](C)N[C@@H]1CC[C@H](C)C[C@H]1C 663512157 409787852 /nfs/dbraw/zinc/78/78/52/409787852.db2.gz FOXJRTQZGVPRBV-WHOHXGKFSA-N 1 3 198.354 2.009 20 0 AEADHO C[NH2+]C[C@H](C)N[C@@H]1CCCCC1(C)C 663510426 409787968 /nfs/dbraw/zinc/78/79/68/409787968.db2.gz PPFGGKJLANQAED-WDEREUQCSA-N 1 3 198.354 2.153 20 0 AEADHO C[NH2+]C[C@@H](C)NC1CCC(C)(C)CC1 663509426 409787988 /nfs/dbraw/zinc/78/79/88/409787988.db2.gz KGGIVVGOXZJZIR-SNVBAGLBSA-N 1 3 198.354 2.153 20 0 AEADHO CCCC(CCC)N[C@@H](C)C[NH2+]C 663509196 409788167 /nfs/dbraw/zinc/78/81/67/409788167.db2.gz IBFGCJCDKBXFPM-JTQLQIEISA-N 1 3 186.343 2.153 20 0 AEADHO C[NH2+]C[C@@H](C)N[C@@H](C)C1CCCCC1 663513339 409788184 /nfs/dbraw/zinc/78/81/84/409788184.db2.gz JQPLCVHQCVRYEO-MNOVXSKESA-N 1 3 198.354 2.153 20 0 AEADHO C[NH2+]C[C@H](C)NC[C@H]1CCCC[C@H]1C 663509186 409788487 /nfs/dbraw/zinc/78/84/87/409788487.db2.gz IASBSYUKTJVEGI-GRYCIOLGSA-N 1 3 198.354 2.010 20 0 AEADHO C[NH2+]C[C@H](C)NC1C[C@H](C)C[C@@H](C)C1 663510022 409788500 /nfs/dbraw/zinc/78/85/00/409788500.db2.gz NSGSZQPNXLOGHQ-MXWKQRLJSA-N 1 3 198.354 2.009 20 0 AEADHO C[NH2+]C[C@@H](C)N[C@@H]1CCCCC1(C)C 663510423 409788574 /nfs/dbraw/zinc/78/85/74/409788574.db2.gz PPFGGKJLANQAED-GHMZBOCLSA-N 1 3 198.354 2.153 20 0 AEADHO C[NH2+]C[C@H](C)NC[C@@H]1CCCC[C@H]1C 663509189 409788684 /nfs/dbraw/zinc/78/86/84/409788684.db2.gz IASBSYUKTJVEGI-WOPDTQHZSA-N 1 3 198.354 2.010 20 0 AEADHO C[NH2+]C[C@@H](C)N[C@H](C)C1CCCCC1 663513206 409788809 /nfs/dbraw/zinc/78/88/09/409788809.db2.gz JQPLCVHQCVRYEO-GHMZBOCLSA-N 1 3 198.354 2.153 20 0 AEADHO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@H](C)[C@H]1C 663513467 409789702 /nfs/dbraw/zinc/78/97/02/409789702.db2.gz KHRQKGXYFIDEIV-NNYUYHANSA-N 1 3 198.354 2.009 20 0 AEADHO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@@H](C)[C@H]1C 663513470 409789048 /nfs/dbraw/zinc/78/90/48/409789048.db2.gz KHRQKGXYFIDEIV-WRWGMCAJSA-N 1 3 198.354 2.009 20 0 AEADHO C[NH2+]C[C@H](C)N[C@@H]1CC[C@@H](C)C[C@@H]1C 663512156 409789311 /nfs/dbraw/zinc/78/93/11/409789311.db2.gz FOXJRTQZGVPRBV-NOOOWODRSA-N 1 3 198.354 2.009 20 0 AEADHO C[NH2+]C[C@H](C)N[C@H](C)C1CCCCC1 663513341 409789389 /nfs/dbraw/zinc/78/93/89/409789389.db2.gz JQPLCVHQCVRYEO-WDEREUQCSA-N 1 3 198.354 2.153 20 0 AEADHO C[NH2+]C[C@H](C)N[C@@H]1CC[C@H](C)[C@@H](C)C1 663509971 409789430 /nfs/dbraw/zinc/78/94/30/409789430.db2.gz BOVTUDANXOHBRR-FIQHERPVSA-N 1 3 198.354 2.009 20 0 AEADHO C[NH2+]C[C@H](C)N[C@@H]1CC[C@@H](C)C[C@H]1C 663512158 409789458 /nfs/dbraw/zinc/78/94/58/409789458.db2.gz FOXJRTQZGVPRBV-WISYIIOYSA-N 1 3 198.354 2.009 20 0 AEADHO C[NH2+]C[C@H](C)NC1C[C@@H](C)C[C@H](C)C1 663510020 409789581 /nfs/dbraw/zinc/78/95/81/409789581.db2.gz NSGSZQPNXLOGHQ-DCAQKATOSA-N 1 3 198.354 2.009 20 0 AEADHO C[NH2+]C[C@@H](C)N[C@H]1CCCCC1(C)C 663510424 409789643 /nfs/dbraw/zinc/78/96/43/409789643.db2.gz PPFGGKJLANQAED-MNOVXSKESA-N 1 3 198.354 2.153 20 0 AEADHO C[NH2+]C[C@H](C)N[C@@H]1CC[C@@H](C)[C@H](C)C1 663509982 409789804 /nfs/dbraw/zinc/78/98/04/409789804.db2.gz BOVTUDANXOHBRR-WISYIIOYSA-N 1 3 198.354 2.009 20 0 AEADHO C[NH2+]C[C@H](C)N[C@@H]1CC[C@H](C)[C@H](C)C1 663509977 409789830 /nfs/dbraw/zinc/78/98/30/409789830.db2.gz BOVTUDANXOHBRR-WHOHXGKFSA-N 1 3 198.354 2.009 20 0 AEADHO C[NH2+]C[C@H](C)N[C@@H]1C[C@@H](C)C[C@@H](C)C1 663510023 409789913 /nfs/dbraw/zinc/78/99/13/409789913.db2.gz NSGSZQPNXLOGHQ-WHOHXGKFSA-N 1 3 198.354 2.009 20 0 AEADHO CC[C@@H]1CCC[C@H](N[C@H](C)C[NH2+]C)C1 663509853 409789971 /nfs/dbraw/zinc/78/99/71/409789971.db2.gz MVEIBJOUEFTWPQ-UTUOFQBUSA-N 1 3 198.354 2.153 20 0 AEADHO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@H](C)[C@@H]1C 663513465 409790116 /nfs/dbraw/zinc/79/01/16/409790116.db2.gz KHRQKGXYFIDEIV-FIQHERPVSA-N 1 3 198.354 2.009 20 0 AEADHO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@@H](C)[C@@H]1C 663513468 409790272 /nfs/dbraw/zinc/79/02/72/409790272.db2.gz KHRQKGXYFIDEIV-NOOOWODRSA-N 1 3 198.354 2.009 20 0 AEADHO C[NH2+]C[C@H](C)NC[C@@H]1CCCC[C@@H]1C 663509188 409790354 /nfs/dbraw/zinc/79/03/54/409790354.db2.gz IASBSYUKTJVEGI-SRVKXCTJSA-N 1 3 198.354 2.010 20 0 AEADHO C[NH2+]C[C@H](C)N[C@@H]1CC[C@H](C)C[C@@H]1C 663512147 409790454 /nfs/dbraw/zinc/79/04/54/409790454.db2.gz FOXJRTQZGVPRBV-FIQHERPVSA-N 1 3 198.354 2.009 20 0 AEADHO C[NH2+]C[C@H](C)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 663509974 409790496 /nfs/dbraw/zinc/79/04/96/409790496.db2.gz BOVTUDANXOHBRR-NOOOWODRSA-N 1 3 198.354 2.009 20 0 AEADHO CCCC(CCC)N[C@H](C)C[NH2+]C 663509197 409790574 /nfs/dbraw/zinc/79/05/74/409790574.db2.gz IBFGCJCDKBXFPM-SNVBAGLBSA-N 1 3 186.343 2.153 20 0 AEADHO CC[C@@H]1CCC[C@@H](N[C@@H](C)C[NH2+]C)C1 663509848 409790670 /nfs/dbraw/zinc/79/06/70/409790670.db2.gz MVEIBJOUEFTWPQ-QJPTWQEYSA-N 1 3 198.354 2.153 20 0 AEADHO CCC1CCC(N[C@H](C)C[NH2+]C)CC1 663510474 409790807 /nfs/dbraw/zinc/79/08/07/409790807.db2.gz QKHLVYJFIJXSSV-VOMCLLRMSA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@@H]1CCC[C@@H](N[C@H](C)C[NH2+]C)C1 663509846 409790996 /nfs/dbraw/zinc/79/09/96/409790996.db2.gz MVEIBJOUEFTWPQ-IJLUTSLNSA-N 1 3 198.354 2.153 20 0 AEADHO C[NH2+]C[C@@H](C)N[C@@H]1C[C@@H](C)C[C@@H](C)C1 663510021 409791143 /nfs/dbraw/zinc/79/11/43/409791143.db2.gz NSGSZQPNXLOGHQ-KXNHARMFSA-N 1 3 198.354 2.009 20 0 AEADHO CC[C@@H]1CCC[C@H](N[C@@H](C)C[NH2+]C)C1 663509851 409791175 /nfs/dbraw/zinc/79/11/75/409791175.db2.gz MVEIBJOUEFTWPQ-TUAOUCFPSA-N 1 3 198.354 2.153 20 0 AEADHO C[NH2+]C[C@H](C)N[C@@H](C)C1CCCCC1 663513340 409791196 /nfs/dbraw/zinc/79/11/96/409791196.db2.gz JQPLCVHQCVRYEO-QWRGUYRKSA-N 1 3 198.354 2.153 20 0 AEADHO C[NH2+]C[C@H](C)N[C@H]1CCCCC1(C)C 663510425 409791212 /nfs/dbraw/zinc/79/12/12/409791212.db2.gz PPFGGKJLANQAED-QWRGUYRKSA-N 1 3 198.354 2.153 20 0 AEADHO C[NH2+]C[C@H](C)N[C@@H](C)CCC(C)C 663514649 409791729 /nfs/dbraw/zinc/79/17/29/409791729.db2.gz RQEQDLDIKDQTEF-QWRGUYRKSA-N 1 3 186.343 2.009 20 0 AEADHO C[NH2+]C[C@@H](C)N[C@H](C)CCC(C)C 663514466 409791857 /nfs/dbraw/zinc/79/18/57/409791857.db2.gz RQEQDLDIKDQTEF-GHMZBOCLSA-N 1 3 186.343 2.009 20 0 AEADHO C[NH2+]C[C@@H](C)N[C@H](C)CC1CCCC1 663514407 409791931 /nfs/dbraw/zinc/79/19/31/409791931.db2.gz RBCHZZWXCVHAEL-GHMZBOCLSA-N 1 3 198.354 2.153 20 0 AEADHO C[NH2+]C[C@H](C)N[C@H]1CCC[C@H]1C(C)C 663514780 409792281 /nfs/dbraw/zinc/79/22/81/409792281.db2.gz SZFIOWMYSKUYCH-SRVKXCTJSA-N 1 3 198.354 2.009 20 0 AEADHO C[NH2+]C[C@H](C)N[C@H](C)CC1CCCC1 663514408 409792557 /nfs/dbraw/zinc/79/25/57/409792557.db2.gz RBCHZZWXCVHAEL-MNOVXSKESA-N 1 3 198.354 2.153 20 0 AEADHO C[NH2+]C[C@@H](C)N[C@@H](C)CC1CCCC1 663514410 409792584 /nfs/dbraw/zinc/79/25/84/409792584.db2.gz RBCHZZWXCVHAEL-WDEREUQCSA-N 1 3 198.354 2.153 20 0 AEADHO CCCC[C@@H](CC)N[C@H](C)C[NH2+]C 663514870 409792670 /nfs/dbraw/zinc/79/26/70/409792670.db2.gz VCHARRGWJMRFKW-GHMZBOCLSA-N 1 3 186.343 2.153 20 0 AEADHO CCCC[C@H](CC)N[C@@H](C)C[NH2+]C 663514872 409792813 /nfs/dbraw/zinc/79/28/13/409792813.db2.gz VCHARRGWJMRFKW-QWRGUYRKSA-N 1 3 186.343 2.153 20 0 AEADHO CCCC[C@@H](CC)N[C@@H](C)C[NH2+]C 663514873 409793060 /nfs/dbraw/zinc/79/30/60/409793060.db2.gz VCHARRGWJMRFKW-WDEREUQCSA-N 1 3 186.343 2.153 20 0 AEADHO C[NH2+]C[C@H](C)N[C@H](C)CCC(C)C 663514467 409793107 /nfs/dbraw/zinc/79/31/07/409793107.db2.gz RQEQDLDIKDQTEF-MNOVXSKESA-N 1 3 186.343 2.009 20 0 AEADHO C[NH2+]C[C@H](C)N[C@@H](C)CC1CCCC1 663514409 409793656 /nfs/dbraw/zinc/79/36/56/409793656.db2.gz RBCHZZWXCVHAEL-QWRGUYRKSA-N 1 3 198.354 2.153 20 0 AEADHO CCCC[C@H](CC)N[C@H](C)C[NH2+]C 663514871 409793822 /nfs/dbraw/zinc/79/38/22/409793822.db2.gz VCHARRGWJMRFKW-MNOVXSKESA-N 1 3 186.343 2.153 20 0 AEADHO C[NH2+]C[C@H](C)N[C@H]1CCC[C@@H]1C(C)C 663514782 409793966 /nfs/dbraw/zinc/79/39/66/409793966.db2.gz SZFIOWMYSKUYCH-TUAOUCFPSA-N 1 3 198.354 2.009 20 0 AEADHO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@@H]1C(C)C 663514777 409794153 /nfs/dbraw/zinc/79/41/53/409794153.db2.gz SZFIOWMYSKUYCH-QJPTWQEYSA-N 1 3 198.354 2.009 20 0 AEADHO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@H]1C(C)C 663514779 409794248 /nfs/dbraw/zinc/79/42/48/409794248.db2.gz SZFIOWMYSKUYCH-SDDRHHMPSA-N 1 3 198.354 2.009 20 0 AEADHO C[NH2+]C[C@@H](C)N[C@@H](C)CCC(C)C 663514650 409794312 /nfs/dbraw/zinc/79/43/12/409794312.db2.gz RQEQDLDIKDQTEF-WDEREUQCSA-N 1 3 186.343 2.009 20 0 AEADHO CC[C@H](C)CC[NH2+][C@@H]1CCC[C@H](N)C1 665237600 409851658 /nfs/dbraw/zinc/85/16/58/409851658.db2.gz FHOHCLCSWBJTDW-SDDRHHMPSA-N 1 3 198.354 2.282 20 0 AEADHO CC[C@H](C)CC[NH2+][C@@H]1CCC[C@@H]1CN 665237994 409851896 /nfs/dbraw/zinc/85/18/96/409851896.db2.gz OGFOHJWFARILMC-QJPTWQEYSA-N 1 3 198.354 2.140 20 0 AEADHO CC[C@H](C)CC[NH2+][C@@H]1CCC[C@H]1CN 665237995 409852331 /nfs/dbraw/zinc/85/23/31/409852331.db2.gz OGFOHJWFARILMC-SDDRHHMPSA-N 1 3 198.354 2.140 20 0 AEADHO CC[C@H](C)CC[NH2+][C@H]1CCC[C@@H](N)C1 665237602 409852409 /nfs/dbraw/zinc/85/24/09/409852409.db2.gz FHOHCLCSWBJTDW-TUAOUCFPSA-N 1 3 198.354 2.282 20 0 AEADHO CC[C@H](C)CC[NH2+][C@H](C)C[C@@H](C)N 665238013 409852447 /nfs/dbraw/zinc/85/24/47/409852447.db2.gz OLSINEGDNJXPFB-HBNTYKKESA-N 1 3 186.343 2.138 20 0 AEADHO CC[C@H](C)CC[NH2+][C@H]1CCC[C@@H]1CN 665237997 409852494 /nfs/dbraw/zinc/85/24/94/409852494.db2.gz OGFOHJWFARILMC-TUAOUCFPSA-N 1 3 198.354 2.140 20 0 AEADHO CC[C@H](C)CC[NH2+][C@@H](C)C[C@@H](C)N 665238010 409852782 /nfs/dbraw/zinc/85/27/82/409852782.db2.gz OLSINEGDNJXPFB-AXFHLTTASA-N 1 3 186.343 2.138 20 0 AEADHO CC[C@H](C)CC[NH2+][C@H](C)C[C@H](C)N 665238012 409852814 /nfs/dbraw/zinc/85/28/14/409852814.db2.gz OLSINEGDNJXPFB-GARJFASQSA-N 1 3 186.343 2.138 20 0 AEADHO CC[C@H](C)CC[NH2+][C@H]1CCC[C@H](N)C1 665237601 409853264 /nfs/dbraw/zinc/85/32/64/409853264.db2.gz FHOHCLCSWBJTDW-SRVKXCTJSA-N 1 3 198.354 2.282 20 0 AEADHO CC[C@H](C)CC[NH2+][C@H]1CCC[C@H]1CN 665237996 409853549 /nfs/dbraw/zinc/85/35/49/409853549.db2.gz OGFOHJWFARILMC-SRVKXCTJSA-N 1 3 198.354 2.140 20 0 AEADHO CC[C@H](C)CC[NH2+][C@@H](C)C[C@H](C)N 665238011 409854214 /nfs/dbraw/zinc/85/42/14/409854214.db2.gz OLSINEGDNJXPFB-DCAQKATOSA-N 1 3 186.343 2.138 20 0 AEADHO CC[C@H](C)CC[NH2+][C@@H]1CCC[C@@H](N)C1 665237599 409854579 /nfs/dbraw/zinc/85/45/79/409854579.db2.gz FHOHCLCSWBJTDW-QJPTWQEYSA-N 1 3 198.354 2.282 20 0 AEADHO CCCC[C@@H](C)[C@@H](C)[NH2+][C@H]1CCNC1 665241263 409856532 /nfs/dbraw/zinc/85/65/32/409856532.db2.gz GKIDLYUSVQOVAA-UTUOFQBUSA-N 1 3 198.354 2.153 20 0 AEADHO CCCC[C@@H](C)[C@H](C)[NH2+][C@H]1CCNC1 665241264 409856679 /nfs/dbraw/zinc/85/66/79/409856679.db2.gz GKIDLYUSVQOVAA-WOPDTQHZSA-N 1 3 198.354 2.153 20 0 AEADHO C[C@H](CN)C[NH2+][C@@H]1CCCC(C)(C)C1 379624086 409858936 /nfs/dbraw/zinc/85/89/36/409858936.db2.gz IOFYTDZYBFYBPU-GHMZBOCLSA-N 1 3 198.354 2.140 20 0 AEADHO C[C@H](C[NH2+]C1CCCCC1)CN(C)C 379636495 409859160 /nfs/dbraw/zinc/85/91/60/409859160.db2.gz RFISWTKVNGGAOL-LLVKDONJSA-N 1 3 198.354 2.106 20 0 AEADHO C[C@@H](C[NH2+]C1CCCCC1)CN(C)C 379636496 409859422 /nfs/dbraw/zinc/85/94/22/409859422.db2.gz RFISWTKVNGGAOL-NSHDSACASA-N 1 3 198.354 2.106 20 0 AEADHO CCC[C@@H](C)[C@@H](CC)[NH2+][C@H]1CCNC1 665243659 409860190 /nfs/dbraw/zinc/86/01/90/409860190.db2.gz PQJBMHGDQGCODL-GRYCIOLGSA-N 1 3 198.354 2.153 20 0 AEADHO C[C@H](CN)C[NH2+][C@H]1CCCC(C)(C)C1 379624087 409860291 /nfs/dbraw/zinc/86/02/91/409860291.db2.gz IOFYTDZYBFYBPU-MNOVXSKESA-N 1 3 198.354 2.140 20 0 AEADHO C[C@@H](CN)C[NH2+][C@@H]1CCCC(C)(C)C1 379624096 409860850 /nfs/dbraw/zinc/86/08/50/409860850.db2.gz IOFYTDZYBFYBPU-WDEREUQCSA-N 1 3 198.354 2.140 20 0 AEADHO C[C@@H](CN)C[NH2+][C@H]1CCCC(C)(C)C1 379624094 409861046 /nfs/dbraw/zinc/86/10/46/409861046.db2.gz IOFYTDZYBFYBPU-QWRGUYRKSA-N 1 3 198.354 2.140 20 0 AEADHO CCC[C@@H](C)[C@H](CC)[NH2+][C@H]1CCNC1 665243660 409862695 /nfs/dbraw/zinc/86/26/95/409862695.db2.gz PQJBMHGDQGCODL-WOPDTQHZSA-N 1 3 198.354 2.153 20 0 AEADHO C[C@H](N)C[C@@H](C)[NH2+]CCCC1CCC1 665267059 409863846 /nfs/dbraw/zinc/86/38/46/409863846.db2.gz OZUVAHWDZJYRPB-WDEREUQCSA-N 1 3 198.354 2.282 20 0 AEADHO CC1(C)C[C@]1(C)[NH2+][C@H]1CCC[C@H](N)C1 665275241 409865026 /nfs/dbraw/zinc/86/50/26/409865026.db2.gz GEEJFZPQGOUAIA-NHCYSSNCSA-N 1 3 196.338 2.035 20 0 AEADHO CC1(C)C[C@]1(C)N[C@H]1CCC[C@H]([NH3+])C1 665275241 409865033 /nfs/dbraw/zinc/86/50/33/409865033.db2.gz GEEJFZPQGOUAIA-NHCYSSNCSA-N 1 3 196.338 2.035 20 0 AEADHO C[C@H](N)C[C@H](C)[NH2+]CCCC1CCC1 665267058 409865310 /nfs/dbraw/zinc/86/53/10/409865310.db2.gz OZUVAHWDZJYRPB-QWRGUYRKSA-N 1 3 198.354 2.282 20 0 AEADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCC1CCC1 665267056 409865638 /nfs/dbraw/zinc/86/56/38/409865638.db2.gz OZUVAHWDZJYRPB-GHMZBOCLSA-N 1 3 198.354 2.282 20 0 AEADHO CC1(C)C[C@]1(C)[NH2+][C@H]1CCC[C@@H](N)C1 665275242 409866120 /nfs/dbraw/zinc/86/61/20/409866120.db2.gz GEEJFZPQGOUAIA-SCVCMEIPSA-N 1 3 196.338 2.035 20 0 AEADHO CC1(C)C[C@]1(C)N[C@H]1CCC[C@@H]([NH3+])C1 665275242 409866126 /nfs/dbraw/zinc/86/61/26/409866126.db2.gz GEEJFZPQGOUAIA-SCVCMEIPSA-N 1 3 196.338 2.035 20 0 AEADHO C[C@@H](C[C@@H](C)N)[NH2+]CCCC1CCC1 665267057 409866307 /nfs/dbraw/zinc/86/63/07/409866307.db2.gz OZUVAHWDZJYRPB-MNOVXSKESA-N 1 3 198.354 2.282 20 0 AEADHO CC1(C)C[C@]1(C)[NH2+][C@@H]1CCC[C@H](N)C1 665275243 409866668 /nfs/dbraw/zinc/86/66/68/409866668.db2.gz GEEJFZPQGOUAIA-UMNHJUIQSA-N 1 3 196.338 2.035 20 0 AEADHO CC1(C)C[C@]1(C)N[C@@H]1CCC[C@H]([NH3+])C1 665275243 409866675 /nfs/dbraw/zinc/86/66/75/409866675.db2.gz GEEJFZPQGOUAIA-UMNHJUIQSA-N 1 3 196.338 2.035 20 0 AEADHO CC1(C)C[C@]1(C)[NH2+][C@@H]1CCC[C@@H](N)C1 665275240 409866738 /nfs/dbraw/zinc/86/67/38/409866738.db2.gz GEEJFZPQGOUAIA-FOGDFJRCSA-N 1 3 196.338 2.035 20 0 AEADHO CC1(C)C[C@]1(C)N[C@@H]1CCC[C@@H]([NH3+])C1 665275240 409866742 /nfs/dbraw/zinc/86/67/42/409866742.db2.gz GEEJFZPQGOUAIA-FOGDFJRCSA-N 1 3 196.338 2.035 20 0 AEADHO CC(C)[C@H]([NH3+])CCN(C)CC1(C)CC1 379829367 409866943 /nfs/dbraw/zinc/86/69/43/409866943.db2.gz ZDAUZZJKGLIEOI-LLVKDONJSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)[C@H](N)CC[N@H+](C)CC1(C)CC1 379829367 409866951 /nfs/dbraw/zinc/86/69/51/409866951.db2.gz ZDAUZZJKGLIEOI-LLVKDONJSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)[C@H](N)CC[N@@H+](C)CC1(C)CC1 379829367 409866958 /nfs/dbraw/zinc/86/69/58/409866958.db2.gz ZDAUZZJKGLIEOI-LLVKDONJSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)[C@@H]([NH3+])CCN(C)CC1(C)CC1 379829369 409867917 /nfs/dbraw/zinc/86/79/17/409867917.db2.gz ZDAUZZJKGLIEOI-NSHDSACASA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)[C@@H](N)CC[N@H+](C)CC1(C)CC1 379829369 409867922 /nfs/dbraw/zinc/86/79/22/409867922.db2.gz ZDAUZZJKGLIEOI-NSHDSACASA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)[C@@H](N)CC[N@@H+](C)CC1(C)CC1 379829369 409867928 /nfs/dbraw/zinc/86/79/28/409867928.db2.gz ZDAUZZJKGLIEOI-NSHDSACASA-N 1 3 198.354 2.092 20 0 AEADHO C[NH2+]C[C@H](C)N[C@H](C)CCC=C(C)C 665293819 409868422 /nfs/dbraw/zinc/86/84/22/409868422.db2.gz DIEPBNRJCHRZDL-NEPJUHHUSA-N 1 3 198.354 2.319 20 0 AEADHO CC[C@]1(C)CCC[N@@H+](CCCNC)C1 379959349 409869257 /nfs/dbraw/zinc/86/92/57/409869257.db2.gz WJSGBUWKMAKTBF-GFCCVEGCSA-N 1 3 198.354 2.108 20 0 AEADHO CC[C@]1(C)CCCN(CCC[NH2+]C)C1 379959349 409869246 /nfs/dbraw/zinc/86/92/46/409869246.db2.gz WJSGBUWKMAKTBF-GFCCVEGCSA-N 1 3 198.354 2.108 20 0 AEADHO CC[C@]1(C)CCC[N@H+](CCCNC)C1 379959349 409869251 /nfs/dbraw/zinc/86/92/51/409869251.db2.gz WJSGBUWKMAKTBF-GFCCVEGCSA-N 1 3 198.354 2.108 20 0 AEADHO CC[C@@]1(C)CCCN(CCC[NH2+]C)C1 379959356 409869293 /nfs/dbraw/zinc/86/92/93/409869293.db2.gz WJSGBUWKMAKTBF-LBPRGKRZSA-N 1 3 198.354 2.108 20 0 AEADHO CC[C@@]1(C)CCC[N@H+](CCCNC)C1 379959356 409869301 /nfs/dbraw/zinc/86/93/01/409869301.db2.gz WJSGBUWKMAKTBF-LBPRGKRZSA-N 1 3 198.354 2.108 20 0 AEADHO CC[C@@]1(C)CCC[N@@H+](CCCNC)C1 379959356 409869308 /nfs/dbraw/zinc/86/93/08/409869308.db2.gz WJSGBUWKMAKTBF-LBPRGKRZSA-N 1 3 198.354 2.108 20 0 AEADHO C[NH2+]C[C@H](C)N[C@@H](C)CCC=C(C)C 665293821 409869788 /nfs/dbraw/zinc/86/97/88/409869788.db2.gz DIEPBNRJCHRZDL-RYUDHWBXSA-N 1 3 198.354 2.319 20 0 AEADHO C[NH2+]C[C@@H](C)N[C@H](C)CCC=C(C)C 665293822 409869911 /nfs/dbraw/zinc/86/99/11/409869911.db2.gz DIEPBNRJCHRZDL-VXGBXAGGSA-N 1 3 198.354 2.319 20 0 AEADHO CCC(CC)[N@H+](CCCNC)C1CC1 379923499 409870007 /nfs/dbraw/zinc/87/00/07/409870007.db2.gz JNXCZUWCMMZIQS-UHFFFAOYSA-N 1 3 198.354 2.249 20 0 AEADHO CCC(CC)[N@@H+](CCCNC)C1CC1 379923499 409870012 /nfs/dbraw/zinc/87/00/12/409870012.db2.gz JNXCZUWCMMZIQS-UHFFFAOYSA-N 1 3 198.354 2.249 20 0 AEADHO C[NH2+]C[C@@H](C)N[C@@H](C)CCC=C(C)C 665293820 409870170 /nfs/dbraw/zinc/87/01/70/409870170.db2.gz DIEPBNRJCHRZDL-NWDGAFQWSA-N 1 3 198.354 2.319 20 0 AEADHO CNCCC[N@@H+](C1CCCC1)C1CC1 380001109 409871209 /nfs/dbraw/zinc/87/12/09/409871209.db2.gz MUIQMQQRIKHLFE-UHFFFAOYSA-N 1 3 196.338 2.003 20 0 AEADHO CNCCC[N@H+](C1CCCC1)C1CC1 380001109 409871213 /nfs/dbraw/zinc/87/12/13/409871213.db2.gz MUIQMQQRIKHLFE-UHFFFAOYSA-N 1 3 196.338 2.003 20 0 AEADHO C[NH2+]CCCN(C1CCCC1)C1CC1 380001109 409871224 /nfs/dbraw/zinc/87/12/24/409871224.db2.gz MUIQMQQRIKHLFE-UHFFFAOYSA-N 1 3 196.338 2.003 20 0 AEADHO CCC[C@H](N[C@@H](C)C[NH2+]C)C1CCC1 665297509 409871602 /nfs/dbraw/zinc/87/16/02/409871602.db2.gz HLBOBVGBDLWHGE-JQWIXIFHSA-N 1 3 198.354 2.153 20 0 AEADHO CCC[C@H](N[C@H](C)C[NH2+]C)C1CCC1 665297510 409871853 /nfs/dbraw/zinc/87/18/53/409871853.db2.gz HLBOBVGBDLWHGE-PWSUYJOCSA-N 1 3 198.354 2.153 20 0 AEADHO CCC[C@@H](N[C@H](C)C[NH2+]C)C1CCC1 665297511 409871873 /nfs/dbraw/zinc/87/18/73/409871873.db2.gz HLBOBVGBDLWHGE-ZYHUDNBSSA-N 1 3 198.354 2.153 20 0 AEADHO C[NH2+]C[C@H](C)N[C@@H]1C[C@@H](C)CC[C@H]1C 665297958 409872008 /nfs/dbraw/zinc/87/20/08/409872008.db2.gz PAVWLHVQGHCKQH-WHOHXGKFSA-N 1 3 198.354 2.009 20 0 AEADHO C[NH2+]C[C@@H](C)N[C@@H]1CCCC(C)(C)C1 665296134 409872140 /nfs/dbraw/zinc/87/21/40/409872140.db2.gz NHUXGQKRIMZAGX-GHMZBOCLSA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@@H]1CCCC[C@H]1N[C@@H](C)C[NH2+]C 665297980 409872199 /nfs/dbraw/zinc/87/21/99/409872199.db2.gz PTRFZQQEDDDBDP-QJPTWQEYSA-N 1 3 198.354 2.153 20 0 AEADHO C[NH2+]C[C@H](C)N[C@@H]1C[C@H](C)CC[C@@H]1C 665297957 409872572 /nfs/dbraw/zinc/87/25/72/409872572.db2.gz PAVWLHVQGHCKQH-NOOOWODRSA-N 1 3 198.354 2.009 20 0 AEADHO CCC[C@@H](N[C@@H](C)C[NH2+]C)C1CCC1 665297508 409872781 /nfs/dbraw/zinc/87/27/81/409872781.db2.gz HLBOBVGBDLWHGE-CMPLNLGQSA-N 1 3 198.354 2.153 20 0 AEADHO C[NH2+]C[C@H](C)N[C@H]1CCCC(C)(C)C1 665296136 409872837 /nfs/dbraw/zinc/87/28/37/409872837.db2.gz NHUXGQKRIMZAGX-QWRGUYRKSA-N 1 3 198.354 2.153 20 0 AEADHO C[NH2+]C[C@H](C)N[C@@H]1C[C@@H](C)CC[C@@H]1C 665297956 409873020 /nfs/dbraw/zinc/87/30/20/409873020.db2.gz PAVWLHVQGHCKQH-FIQHERPVSA-N 1 3 198.354 2.009 20 0 AEADHO C[NH2+]C[C@@H](C)N[C@H]1CCCC(C)(C)C1 665296135 409873113 /nfs/dbraw/zinc/87/31/13/409873113.db2.gz NHUXGQKRIMZAGX-MNOVXSKESA-N 1 3 198.354 2.153 20 0 AEADHO C[NH2+]C[C@H](C)N[C@@H]1CCCC(C)(C)C1 665296137 409873971 /nfs/dbraw/zinc/87/39/71/409873971.db2.gz NHUXGQKRIMZAGX-WDEREUQCSA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@@H]1CCCC[C@@H]1N[C@@H](C)C[NH2+]C 665297981 409874056 /nfs/dbraw/zinc/87/40/56/409874056.db2.gz PTRFZQQEDDDBDP-TUAOUCFPSA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@@H]1CCCC[C@H]1N[C@H](C)C[NH2+]C 665297979 409874173 /nfs/dbraw/zinc/87/41/73/409874173.db2.gz PTRFZQQEDDDBDP-IJLUTSLNSA-N 1 3 198.354 2.153 20 0 AEADHO C[NH2+]C[C@H](C)N[C@@H]1C[C@H](C)CC[C@H]1C 665297959 409874388 /nfs/dbraw/zinc/87/43/88/409874388.db2.gz PAVWLHVQGHCKQH-WISYIIOYSA-N 1 3 198.354 2.009 20 0 AEADHO CCC(C)(C)[C@H](C)N[C@@H](C)C[NH2+]C 665298338 409874903 /nfs/dbraw/zinc/87/49/03/409874903.db2.gz VBJQOUVAXHEKBH-UWVGGRQHSA-N 1 3 186.343 2.009 20 0 AEADHO C[NH2+]C[C@H](C)N[C@H]1CC(C)(C)C[C@@H]1C 665298065 409875715 /nfs/dbraw/zinc/87/57/15/409875715.db2.gz RDIAIEWXQFAAQQ-DCAQKATOSA-N 1 3 198.354 2.009 20 0 AEADHO C[NH2+]C[C@H](C)N[C@H]1CC(C)(C)C[C@H]1C 665298068 409875770 /nfs/dbraw/zinc/87/57/70/409875770.db2.gz RDIAIEWXQFAAQQ-VWYCJHECSA-N 1 3 198.354 2.009 20 0 AEADHO CNCCC[N@H+](C(C)C)C1CCCC1 380273961 409875836 /nfs/dbraw/zinc/87/58/36/409875836.db2.gz XFQWMSVXMMFRGS-UHFFFAOYSA-N 1 3 198.354 2.249 20 0 AEADHO CNCCC[N@@H+](C(C)C)C1CCCC1 380273961 409875843 /nfs/dbraw/zinc/87/58/43/409875843.db2.gz XFQWMSVXMMFRGS-UHFFFAOYSA-N 1 3 198.354 2.249 20 0 AEADHO C[NH2+]C[C@H](C)N[C@@H]1CC(C)(C)C[C@H]1C 665298067 409876224 /nfs/dbraw/zinc/87/62/24/409876224.db2.gz RDIAIEWXQFAAQQ-OUAUKWLOSA-N 1 3 198.354 2.009 20 0 AEADHO CCC(C)(C)[C@@H](C)N[C@@H](C)C[NH2+]C 665298339 409876251 /nfs/dbraw/zinc/87/62/51/409876251.db2.gz VBJQOUVAXHEKBH-VHSXEESVSA-N 1 3 186.343 2.009 20 0 AEADHO CCC(C)(C)[C@H](C)N[C@H](C)C[NH2+]C 665298340 409876436 /nfs/dbraw/zinc/87/64/36/409876436.db2.gz VBJQOUVAXHEKBH-ZJUUUORDSA-N 1 3 186.343 2.009 20 0 AEADHO C[NH2+]C[C@H](C)N[C@@H]1CC(C)(C)C[C@@H]1C 665298066 409876824 /nfs/dbraw/zinc/87/68/24/409876824.db2.gz RDIAIEWXQFAAQQ-GARJFASQSA-N 1 3 198.354 2.009 20 0 AEADHO CCC(C)(C)[C@@H](C)N[C@H](C)C[NH2+]C 665298337 409876861 /nfs/dbraw/zinc/87/68/61/409876861.db2.gz VBJQOUVAXHEKBH-NXEZZACHSA-N 1 3 186.343 2.009 20 0 AEADHO CC[C@@H]1CCCC[C@@H]1N[C@H](C)C[NH2+]C 665297982 409877247 /nfs/dbraw/zinc/87/72/47/409877247.db2.gz PTRFZQQEDDDBDP-UTUOFQBUSA-N 1 3 198.354 2.153 20 0 AEADHO C[N@H+](CCCN)CCCC1CCCC1 382076279 409887254 /nfs/dbraw/zinc/88/72/54/409887254.db2.gz JXIGIHYKIMVGDB-UHFFFAOYSA-N 1 3 198.354 2.237 20 0 AEADHO C[N@@H+](CCCN)CCCC1CCCC1 382076279 409887259 /nfs/dbraw/zinc/88/72/59/409887259.db2.gz JXIGIHYKIMVGDB-UHFFFAOYSA-N 1 3 198.354 2.237 20 0 AEADHO CN(CCC[NH3+])CCCC1CCCC1 382076279 409887264 /nfs/dbraw/zinc/88/72/64/409887264.db2.gz JXIGIHYKIMVGDB-UHFFFAOYSA-N 1 3 198.354 2.237 20 0 AEADHO CC[C@H](C)[C@@H](C)[NH2+]CCCNC1CC1 382597955 409906622 /nfs/dbraw/zinc/90/66/22/409906622.db2.gz OHAQMAXCDXUCSH-WDEREUQCSA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@@H](C)[C@H](C)[NH2+]CCCNC1CC1 382597953 409906079 /nfs/dbraw/zinc/90/60/79/409906079.db2.gz OHAQMAXCDXUCSH-MNOVXSKESA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@@H]([NH2+]C[C@H](C)CN)C1CCCC1 382773130 409906107 /nfs/dbraw/zinc/90/61/07/409906107.db2.gz AKXOCOQFXLDUGD-ZYHUDNBSSA-N 1 3 198.354 2.140 20 0 AEADHO CC[C@H]([NH2+]C[C@@H](C)CN)C1CCCC1 382773128 409906378 /nfs/dbraw/zinc/90/63/78/409906378.db2.gz AKXOCOQFXLDUGD-JQWIXIFHSA-N 1 3 198.354 2.140 20 0 AEADHO CC[C@@H]([NH2+]CCCNC1CC1)C(C)C 382577841 409906491 /nfs/dbraw/zinc/90/64/91/409906491.db2.gz CAIHJXNAITVPTG-GFCCVEGCSA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@@H]([NH2+]C[C@@H](C)CN)C1CCCC1 382773127 409907345 /nfs/dbraw/zinc/90/73/45/409907345.db2.gz AKXOCOQFXLDUGD-CMPLNLGQSA-N 1 3 198.354 2.140 20 0 AEADHO CC[C@@H](C)[C@@H](C)[NH2+]CCCNC1CC1 382597952 409907359 /nfs/dbraw/zinc/90/73/59/409907359.db2.gz OHAQMAXCDXUCSH-GHMZBOCLSA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@H](C)[C@H](C)[NH2+]CCCNC1CC1 382597954 409907414 /nfs/dbraw/zinc/90/74/14/409907414.db2.gz OHAQMAXCDXUCSH-QWRGUYRKSA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@H]([NH2+]CCCNC1CC1)C(C)C 382577843 409907630 /nfs/dbraw/zinc/90/76/30/409907630.db2.gz CAIHJXNAITVPTG-LBPRGKRZSA-N 1 3 198.354 2.153 20 0 AEADHO CC[C@H]([NH2+]C[C@H](C)CN)C1CCCC1 382773129 409908261 /nfs/dbraw/zinc/90/82/61/409908261.db2.gz AKXOCOQFXLDUGD-PWSUYJOCSA-N 1 3 198.354 2.140 20 0 AEADHO CC/C=C/C[NH2+][C@@H]1CCCC[C@H]1CN 384740218 409912830 /nfs/dbraw/zinc/91/28/30/409912830.db2.gz LRKGVXWECGVHIP-CXILLOQGSA-N 1 3 196.338 2.060 20 0 AEADHO CC/C=C/CN[C@@H]1CCCC[C@H]1C[NH3+] 384740218 409912837 /nfs/dbraw/zinc/91/28/37/409912837.db2.gz LRKGVXWECGVHIP-CXILLOQGSA-N 1 3 196.338 2.060 20 0 AEADHO CC/C=C\CNC1CC[NH+](CC)CC1 384795916 409913127 /nfs/dbraw/zinc/91/31/27/409913127.db2.gz WRHJSCPGWWXOAK-WAYWQWQTSA-N 1 3 196.338 2.027 20 0 AEADHO CC/C=C\C[NH2+][C@@H]1CCCC[C@H]1CN 384740221 409913473 /nfs/dbraw/zinc/91/34/73/409913473.db2.gz LRKGVXWECGVHIP-VCUMLDNESA-N 1 3 196.338 2.060 20 0 AEADHO CC/C=C\CN[C@@H]1CCCC[C@H]1C[NH3+] 384740221 409913477 /nfs/dbraw/zinc/91/34/77/409913477.db2.gz LRKGVXWECGVHIP-VCUMLDNESA-N 1 3 196.338 2.060 20 0 AEADHO CC/C=C\C[NH2+][C@@H]1CCCC[C@@H]1CN 384740215 409913496 /nfs/dbraw/zinc/91/34/96/409913496.db2.gz LRKGVXWECGVHIP-BCIKPAMSSA-N 1 3 196.338 2.060 20 0 AEADHO CC/C=C\CN[C@@H]1CCCC[C@@H]1C[NH3+] 384740215 409913502 /nfs/dbraw/zinc/91/35/02/409913502.db2.gz LRKGVXWECGVHIP-BCIKPAMSSA-N 1 3 196.338 2.060 20 0 AEADHO CC/C=C/CNC1CC[NH+](CC)CC1 384795915 409913922 /nfs/dbraw/zinc/91/39/22/409913922.db2.gz WRHJSCPGWWXOAK-AATRIKPKSA-N 1 3 196.338 2.027 20 0 AEADHO CC/C=C/C[NH2+][C@@H]1CCCC[C@@H]1CN 384740219 409914043 /nfs/dbraw/zinc/91/40/43/409914043.db2.gz LRKGVXWECGVHIP-JKNNBXRXSA-N 1 3 196.338 2.060 20 0 AEADHO CC/C=C/CN[C@@H]1CCCC[C@@H]1C[NH3+] 384740219 409914050 /nfs/dbraw/zinc/91/40/50/409914050.db2.gz LRKGVXWECGVHIP-JKNNBXRXSA-N 1 3 196.338 2.060 20 0 AEADHO CC(C)C[C@@H](C)CN(C)C1CC([NH3+])C1 384833130 409915126 /nfs/dbraw/zinc/91/51/26/409915126.db2.gz HERQXELNEHFCKE-VOMCLLRMSA-N 1 3 198.354 2.090 20 0 AEADHO CC(C)C[C@H](C)CN(C)C1CC([NH3+])C1 384833129 409915617 /nfs/dbraw/zinc/91/56/17/409915617.db2.gz HERQXELNEHFCKE-UNXYVOJBSA-N 1 3 198.354 2.090 20 0 AEADHO CC/C=C/C[NH2+][C@H](C)[C@H]1CCCCN1 386014971 409933299 /nfs/dbraw/zinc/93/32/99/409933299.db2.gz NKOSZLBULOWWIO-WBIIUDBISA-N 1 3 196.338 2.073 20 0 AEADHO CC(C)CCN[C@@H](C)[C@H]1CCCC[NH2+]1 386153464 409933536 /nfs/dbraw/zinc/93/35/36/409933536.db2.gz SOQCYUVXONNCLX-NWDGAFQWSA-N 1 3 198.354 2.153 20 0 AEADHO C[C@H](NCC(C)(C)C)[C@@H]1CCCC[NH2+]1 386129190 409933600 /nfs/dbraw/zinc/93/36/00/409933600.db2.gz OGFJKVGIGYCVBG-QWRGUYRKSA-N 1 3 198.354 2.153 20 0 AEADHO CCCCCN[C@@H](C)[C@H]1CCCC[NH2+]1 386109230 409933873 /nfs/dbraw/zinc/93/38/73/409933873.db2.gz LEAMCFVYWMZYMZ-NWDGAFQWSA-N 1 3 198.354 2.297 20 0 AEADHO CC(C)CCN[C@H](C)[C@H]1CCCC[NH2+]1 386153466 409934494 /nfs/dbraw/zinc/93/44/94/409934494.db2.gz SOQCYUVXONNCLX-VXGBXAGGSA-N 1 3 198.354 2.153 20 0 AEADHO C[C@@H](NCC(C)(C)C)[C@H]1CCCC[NH2+]1 386129188 409934666 /nfs/dbraw/zinc/93/46/66/409934666.db2.gz OGFJKVGIGYCVBG-GHMZBOCLSA-N 1 3 198.354 2.153 20 0 AEADHO CC/C=C/C[NH2+][C@H](C)[C@@H]1CCCCN1 386014972 409934812 /nfs/dbraw/zinc/93/48/12/409934812.db2.gz NKOSZLBULOWWIO-XCOQAZTISA-N 1 3 196.338 2.073 20 0 AEADHO CC/C=C\C[NH2+][C@H](C)[C@H]1CCCCN1 386014968 409934912 /nfs/dbraw/zinc/93/49/12/409934912.db2.gz NKOSZLBULOWWIO-CZVUKNJHSA-N 1 3 196.338 2.073 20 0 AEADHO CCCCCN[C@H](C)[C@@H]1CCCC[NH2+]1 386109229 409935007 /nfs/dbraw/zinc/93/50/07/409935007.db2.gz LEAMCFVYWMZYMZ-NEPJUHHUSA-N 1 3 198.354 2.297 20 0 AEADHO CC(C)CCN[C@H](C)[C@@H]1CCCC[NH2+]1 386153463 409935239 /nfs/dbraw/zinc/93/52/39/409935239.db2.gz SOQCYUVXONNCLX-NEPJUHHUSA-N 1 3 198.354 2.153 20 0 AEADHO CC(C)CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 386153465 409935516 /nfs/dbraw/zinc/93/55/16/409935516.db2.gz SOQCYUVXONNCLX-RYUDHWBXSA-N 1 3 198.354 2.153 20 0 AEADHO CCCCCN[C@@H](C)[C@@H]1CCCC[NH2+]1 386109234 409935773 /nfs/dbraw/zinc/93/57/73/409935773.db2.gz LEAMCFVYWMZYMZ-RYUDHWBXSA-N 1 3 198.354 2.297 20 0 AEADHO C[C@@H](NCC(C)(C)C)[C@@H]1CCCC[NH2+]1 386129189 409935756 /nfs/dbraw/zinc/93/57/56/409935756.db2.gz OGFJKVGIGYCVBG-MNOVXSKESA-N 1 3 198.354 2.153 20 0 AEADHO CCCCCN[C@H](C)[C@H]1CCCC[NH2+]1 386109235 409935793 /nfs/dbraw/zinc/93/57/93/409935793.db2.gz LEAMCFVYWMZYMZ-VXGBXAGGSA-N 1 3 198.354 2.297 20 0 AEADHO C[C@H](NCC(C)(C)C)[C@H]1CCCC[NH2+]1 386129191 409935813 /nfs/dbraw/zinc/93/58/13/409935813.db2.gz OGFJKVGIGYCVBG-WDEREUQCSA-N 1 3 198.354 2.153 20 0 AEADHO CC/C=C\C[NH2+][C@H](C)[C@@H]1CCCCN1 386014969 409935938 /nfs/dbraw/zinc/93/59/38/409935938.db2.gz NKOSZLBULOWWIO-GJJFQZOLSA-N 1 3 196.338 2.073 20 0 AEADHO CCC([NH3+])(CC)CN[C@H]1CCC1(C)C 389228749 409964547 /nfs/dbraw/zinc/96/45/47/409964547.db2.gz ACYMGCMQMCVZQA-JTQLQIEISA-N 1 3 198.354 2.282 20 0 AEADHO CCC([NH3+])(CC)CN[C@@H]1CCC1(C)C 389228751 409966199 /nfs/dbraw/zinc/96/61/99/409966199.db2.gz ACYMGCMQMCVZQA-SNVBAGLBSA-N 1 3 198.354 2.282 20 0 AEADHO C[C@H]1CCCC[C@H]1C[N@H+](C)CCCN 394827344 409998555 /nfs/dbraw/zinc/99/85/55/409998555.db2.gz LFWJNICEZYTOGH-RYUDHWBXSA-N 1 3 198.354 2.093 20 0 AEADHO C[C@H]1CCCC[C@H]1C[N@@H+](C)CCCN 394827344 409998564 /nfs/dbraw/zinc/99/85/64/409998564.db2.gz LFWJNICEZYTOGH-RYUDHWBXSA-N 1 3 198.354 2.093 20 0 AEADHO C[C@H]1CCCC[C@H]1CN(C)CCC[NH3+] 394827344 409998569 /nfs/dbraw/zinc/99/85/69/409998569.db2.gz LFWJNICEZYTOGH-RYUDHWBXSA-N 1 3 198.354 2.093 20 0 AEADHO C[C@@H]1CCCC[C@H]1C[N@H+](C)CCCN 394827339 409998938 /nfs/dbraw/zinc/99/89/38/409998938.db2.gz LFWJNICEZYTOGH-NEPJUHHUSA-N 1 3 198.354 2.093 20 0 AEADHO C[C@@H]1CCCC[C@H]1C[N@@H+](C)CCCN 394827339 409998944 /nfs/dbraw/zinc/99/89/44/409998944.db2.gz LFWJNICEZYTOGH-NEPJUHHUSA-N 1 3 198.354 2.093 20 0 AEADHO C[C@@H]1CCCC[C@H]1CN(C)CCC[NH3+] 394827339 409998950 /nfs/dbraw/zinc/99/89/50/409998950.db2.gz LFWJNICEZYTOGH-NEPJUHHUSA-N 1 3 198.354 2.093 20 0 AEADHO C[C@H]1CCCC[C@@H]1C[N@H+](C)CCCN 394827342 409999648 /nfs/dbraw/zinc/99/96/48/409999648.db2.gz LFWJNICEZYTOGH-NWDGAFQWSA-N 1 3 198.354 2.093 20 0 AEADHO C[C@H]1CCCC[C@@H]1C[N@@H+](C)CCCN 394827342 409999655 /nfs/dbraw/zinc/99/96/55/409999655.db2.gz LFWJNICEZYTOGH-NWDGAFQWSA-N 1 3 198.354 2.093 20 0 AEADHO C[C@H]1CCCC[C@@H]1CN(C)CCC[NH3+] 394827342 409999660 /nfs/dbraw/zinc/99/96/60/409999660.db2.gz LFWJNICEZYTOGH-NWDGAFQWSA-N 1 3 198.354 2.093 20 0 AEADHO C[C@@H]1CCCC[C@@H]1C[N@H+](C)CCCN 394827346 410000050 /nfs/dbraw/zinc/00/00/50/410000050.db2.gz LFWJNICEZYTOGH-VXGBXAGGSA-N 1 3 198.354 2.093 20 0 AEADHO C[C@@H]1CCCC[C@@H]1C[N@@H+](C)CCCN 394827346 410000054 /nfs/dbraw/zinc/00/00/54/410000054.db2.gz LFWJNICEZYTOGH-VXGBXAGGSA-N 1 3 198.354 2.093 20 0 AEADHO C[C@@H]1CCCC[C@@H]1CN(C)CCC[NH3+] 394827346 410000061 /nfs/dbraw/zinc/00/00/61/410000061.db2.gz LFWJNICEZYTOGH-VXGBXAGGSA-N 1 3 198.354 2.093 20 0 AEADHO CN(CCCC(C)(C)C)C1CC([NH3+])C1 394987219 410001933 /nfs/dbraw/zinc/00/19/33/410001933.db2.gz BCPKBSKJDHOFEJ-UHFFFAOYSA-N 1 3 198.354 2.234 20 0 AEADHO C[N@H+](CCCC(C)(C)C)C1CC(N)C1 394987219 410001938 /nfs/dbraw/zinc/00/19/38/410001938.db2.gz BCPKBSKJDHOFEJ-UHFFFAOYSA-N 1 3 198.354 2.234 20 0 AEADHO C[N@@H+](CCCC(C)(C)C)C1CC(N)C1 394987219 410001942 /nfs/dbraw/zinc/00/19/42/410001942.db2.gz BCPKBSKJDHOFEJ-UHFFFAOYSA-N 1 3 198.354 2.234 20 0 AEADHO CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCCCN1 395085422 410002048 /nfs/dbraw/zinc/00/20/48/410002048.db2.gz CMUKOAJPRUKGTD-RYUDHWBXSA-N 1 3 196.338 2.073 20 0 AEADHO CC(C)=CC[NH2+][C@H](C)[C@H]1CCCCN1 395085426 410002145 /nfs/dbraw/zinc/00/21/45/410002145.db2.gz CMUKOAJPRUKGTD-VXGBXAGGSA-N 1 3 196.338 2.073 20 0 AEADHO CC(C)=CC[NH2+][C@H](C)[C@@H]1CCCCN1 395085415 410002541 /nfs/dbraw/zinc/00/25/41/410002541.db2.gz CMUKOAJPRUKGTD-NEPJUHHUSA-N 1 3 196.338 2.073 20 0 AEADHO CC(C)=CC[NH2+][C@@H](C)[C@H]1CCCCN1 395085420 410003521 /nfs/dbraw/zinc/00/35/21/410003521.db2.gz CMUKOAJPRUKGTD-NWDGAFQWSA-N 1 3 196.338 2.073 20 0 AEADHO CNCCC[N@@H+]1CCC[C@@H]1CC(C)C 397043563 410009988 /nfs/dbraw/zinc/00/99/88/410009988.db2.gz CJAMXVJMIQVQNH-GFCCVEGCSA-N 1 3 198.354 2.106 20 0 AEADHO CNCCC[N@H+]1CCC[C@@H]1CC(C)C 397043563 410009995 /nfs/dbraw/zinc/00/99/95/410009995.db2.gz CJAMXVJMIQVQNH-GFCCVEGCSA-N 1 3 198.354 2.106 20 0 AEADHO CCCC[N@@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C 397297681 410010698 /nfs/dbraw/zinc/01/06/98/410010698.db2.gz JINXISUFDJEOIB-WOPDTQHZSA-N 1 3 198.354 2.092 20 0 AEADHO CCCC[N@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C 397297681 410010706 /nfs/dbraw/zinc/01/07/06/410010706.db2.gz JINXISUFDJEOIB-WOPDTQHZSA-N 1 3 198.354 2.092 20 0 AEADHO CCCC[N@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C 397297677 410011265 /nfs/dbraw/zinc/01/12/65/410011265.db2.gz JINXISUFDJEOIB-TUAOUCFPSA-N 1 3 198.354 2.092 20 0 AEADHO CCCC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C 397297677 410011257 /nfs/dbraw/zinc/01/12/57/410011257.db2.gz JINXISUFDJEOIB-TUAOUCFPSA-N 1 3 198.354 2.092 20 0 AEADHO CCCC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C 397297675 410011305 /nfs/dbraw/zinc/01/13/05/410011305.db2.gz JINXISUFDJEOIB-SRVKXCTJSA-N 1 3 198.354 2.092 20 0 AEADHO CCCC[N@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C 397297675 410011310 /nfs/dbraw/zinc/01/13/10/410011310.db2.gz JINXISUFDJEOIB-SRVKXCTJSA-N 1 3 198.354 2.092 20 0 AEADHO CNCCC[N@@H+]1CCC[C@H]1CC(C)C 397043565 410011792 /nfs/dbraw/zinc/01/17/92/410011792.db2.gz CJAMXVJMIQVQNH-LBPRGKRZSA-N 1 3 198.354 2.106 20 0 AEADHO CNCCC[N@H+]1CCC[C@H]1CC(C)C 397043565 410011794 /nfs/dbraw/zinc/01/17/94/410011794.db2.gz CJAMXVJMIQVQNH-LBPRGKRZSA-N 1 3 198.354 2.106 20 0 AEADHO CCCC[N@@H+]1C[C@H](CN)[C@H](C)C[C@H]1C 397297679 410012335 /nfs/dbraw/zinc/01/23/35/410012335.db2.gz JINXISUFDJEOIB-UTUOFQBUSA-N 1 3 198.354 2.092 20 0 AEADHO CCCC[N@H+]1C[C@H](CN)[C@H](C)C[C@H]1C 397297679 410012343 /nfs/dbraw/zinc/01/23/43/410012343.db2.gz JINXISUFDJEOIB-UTUOFQBUSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)=CCC[NH2+][C@@H]1CCC[C@@H]1CN 397832495 410017670 /nfs/dbraw/zinc/01/76/70/410017670.db2.gz RWCAYTAVOOYJFN-VXGBXAGGSA-N 1 3 196.338 2.060 20 0 AEADHO CC(C)=CCC[NH2+][C@H]1CCC[C@H]1CN 397832493 410018572 /nfs/dbraw/zinc/01/85/72/410018572.db2.gz RWCAYTAVOOYJFN-RYUDHWBXSA-N 1 3 196.338 2.060 20 0 AEADHO CC(C)=CCC[NH2+][C@H]1CCC[C@@H]1CN 397832487 410018751 /nfs/dbraw/zinc/01/87/51/410018751.db2.gz RWCAYTAVOOYJFN-NEPJUHHUSA-N 1 3 196.338 2.060 20 0 AEADHO CC(C)=CCC[NH2+][C@@H]1CCC[C@H]1CN 397832490 410018866 /nfs/dbraw/zinc/01/88/66/410018866.db2.gz RWCAYTAVOOYJFN-NWDGAFQWSA-N 1 3 196.338 2.060 20 0 AEADHO CCNCCC[NH2+][C@@H](C)CCC1CC1 398240361 410019502 /nfs/dbraw/zinc/01/95/02/410019502.db2.gz YMRJHBUNAGRJKW-NSHDSACASA-N 1 3 198.354 2.154 20 0 AEADHO CCNCCC[NH2+][C@H](C)CCC1CC1 398240360 410021597 /nfs/dbraw/zinc/02/15/97/410021597.db2.gz YMRJHBUNAGRJKW-LLVKDONJSA-N 1 3 198.354 2.154 20 0 AEADHO CC(C)C[N@@H+]1CCC[C@H](C)[C@@H]1CCN 404293849 410041708 /nfs/dbraw/zinc/04/17/08/410041708.db2.gz MNQYSLLSOOEWAL-RYUDHWBXSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)C[N@H+]1CCC[C@H](C)[C@@H]1CCN 404293849 410041712 /nfs/dbraw/zinc/04/17/12/410041712.db2.gz MNQYSLLSOOEWAL-RYUDHWBXSA-N 1 3 198.354 2.092 20 0 AEADHO CCCC[N@@H+]1CCC[C@H](C)[C@H]1CCN 404293271 410041842 /nfs/dbraw/zinc/04/18/42/410041842.db2.gz MHKNHTCCLBZIIN-NWDGAFQWSA-N 1 3 198.354 2.236 20 0 AEADHO CCCC[N@H+]1CCC[C@H](C)[C@H]1CCN 404293271 410041846 /nfs/dbraw/zinc/04/18/46/410041846.db2.gz MHKNHTCCLBZIIN-NWDGAFQWSA-N 1 3 198.354 2.236 20 0 AEADHO CC(C)C[N@@H+]1CCC[C@@H](C)[C@H]1CCN 404293852 410041868 /nfs/dbraw/zinc/04/18/68/410041868.db2.gz MNQYSLLSOOEWAL-VXGBXAGGSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)C[N@H+]1CCC[C@@H](C)[C@H]1CCN 404293852 410041870 /nfs/dbraw/zinc/04/18/70/410041870.db2.gz MNQYSLLSOOEWAL-VXGBXAGGSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)C[N@@H+]1CCC[C@@H](C)[C@@H]1CCN 404293845 410042021 /nfs/dbraw/zinc/04/20/21/410042021.db2.gz MNQYSLLSOOEWAL-NEPJUHHUSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)C[N@H+]1CCC[C@@H](C)[C@@H]1CCN 404293845 410042024 /nfs/dbraw/zinc/04/20/24/410042024.db2.gz MNQYSLLSOOEWAL-NEPJUHHUSA-N 1 3 198.354 2.092 20 0 AEADHO CCCC[N@@H+]1CCC[C@@H](C)[C@H]1CCN 404293273 410042121 /nfs/dbraw/zinc/04/21/21/410042121.db2.gz MHKNHTCCLBZIIN-VXGBXAGGSA-N 1 3 198.354 2.236 20 0 AEADHO CCCC[N@H+]1CCC[C@@H](C)[C@H]1CCN 404293273 410042125 /nfs/dbraw/zinc/04/21/25/410042125.db2.gz MHKNHTCCLBZIIN-VXGBXAGGSA-N 1 3 198.354 2.236 20 0 AEADHO CCCC[N@@H+]1CCC[C@H](C)[C@@H]1CCN 404293272 410042162 /nfs/dbraw/zinc/04/21/62/410042162.db2.gz MHKNHTCCLBZIIN-RYUDHWBXSA-N 1 3 198.354 2.236 20 0 AEADHO CCCC[N@H+]1CCC[C@H](C)[C@@H]1CCN 404293272 410042165 /nfs/dbraw/zinc/04/21/65/410042165.db2.gz MHKNHTCCLBZIIN-RYUDHWBXSA-N 1 3 198.354 2.236 20 0 AEADHO CC(C)C[N@@H+]1CCC[C@H](C)[C@H]1CCN 404293847 410042404 /nfs/dbraw/zinc/04/24/04/410042404.db2.gz MNQYSLLSOOEWAL-NWDGAFQWSA-N 1 3 198.354 2.092 20 0 AEADHO CC(C)C[N@H+]1CCC[C@H](C)[C@H]1CCN 404293847 410042409 /nfs/dbraw/zinc/04/24/09/410042409.db2.gz MNQYSLLSOOEWAL-NWDGAFQWSA-N 1 3 198.354 2.092 20 0 AEADHO CCCC[N@@H+]1CCC[C@@H](C)[C@@H]1CCN 404293270 410042701 /nfs/dbraw/zinc/04/27/01/410042701.db2.gz MHKNHTCCLBZIIN-NEPJUHHUSA-N 1 3 198.354 2.236 20 0 AEADHO CCCC[N@H+]1CCC[C@@H](C)[C@@H]1CCN 404293270 410042707 /nfs/dbraw/zinc/04/27/07/410042707.db2.gz MHKNHTCCLBZIIN-NEPJUHHUSA-N 1 3 198.354 2.236 20 0 AEADHO C[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)N 308557279 573348620 /nfs/dbraw/zinc/34/86/20/573348620.db2.gz UTDDECYGPHQTNQ-GHMZBOCLSA-N 1 3 198.354 2.282 20 0 AEADHO CCC(CC)C[NH2+]CCC(C)(C)N 130416888 573532535 /nfs/dbraw/zinc/53/25/35/573532535.db2.gz QPOOAFBULWNAMY-UHFFFAOYSA-N 1 3 186.343 2.140 20 0 AEADHO CCCC[NH2+]C[C@@H]1CCN(C(C)C)C1 40621941 573878434 /nfs/dbraw/zinc/87/84/34/573878434.db2.gz CWCRDTLOQLJAPL-LBPRGKRZSA-N 1 3 198.354 2.106 20 0 AEADHO CCCCC[C@@H](C)NCC[NH2+]C1CC1 42574176 573985698 /nfs/dbraw/zinc/98/56/98/573985698.db2.gz BUMKQNZJVSVNFQ-LLVKDONJSA-N 1 3 198.354 2.297 20 0 AEADHO CCCCC[C@@H](C)[NH2+]CC[C@H](C)N 42574172 573985514 /nfs/dbraw/zinc/98/55/14/573985514.db2.gz ASWBIANPEZPQCZ-WDEREUQCSA-N 1 3 186.343 2.282 20 0 AEADHO C[C@H]1C[C@@H]([NH+]2CCCCCC2)CCN1 229540396 629903466 /nfs/dbraw/zinc/90/34/66/629903466.db2.gz SSYZZEGNZVAICJ-RYUDHWBXSA-N 1 3 196.338 2.003 20 0 AEADHO C[C@@H]1C[C@@H]([NH+]2CCCCCC2)CCN1 229540387 629909410 /nfs/dbraw/zinc/90/94/10/629909410.db2.gz SSYZZEGNZVAICJ-NEPJUHHUSA-N 1 3 196.338 2.003 20 0 AEADHO CC(C)(C)CC[C@@H](N)C[NH+]1CCCC1 328373598 630015357 /nfs/dbraw/zinc/01/53/57/630015357.db2.gz SUSFQWCQPFKRSF-LLVKDONJSA-N 1 3 198.354 2.236 20 0 AEADHO C[C@H](CN)C[NH2+]C1CCCCCCC1 308581808 630016593 /nfs/dbraw/zinc/01/65/93/630016593.db2.gz PPFIRBTXAWRIHG-LLVKDONJSA-N 1 3 198.354 2.284 20 0 AEADHO CC(C)(C)CC[C@H](N)C[NH+]1CCCC1 328373599 630017368 /nfs/dbraw/zinc/01/73/68/630017368.db2.gz SUSFQWCQPFKRSF-NSHDSACASA-N 1 3 198.354 2.236 20 0 AEADHO C[C@@H](CN)C[NH2+]C1CCCCCCC1 308581809 630017804 /nfs/dbraw/zinc/01/78/04/630017804.db2.gz PPFIRBTXAWRIHG-NSHDSACASA-N 1 3 198.354 2.284 20 0 AEADHO CCC[C@H](C)CC[NH2+][C@H](C)C1CNC1 925734451 630047563 /nfs/dbraw/zinc/04/75/63/630047563.db2.gz RABDKEMQMHHMAK-WDEREUQCSA-N 1 3 198.354 2.010 20 0 AEADHO CCC[C@H](C)CC[NH2+][C@@H](C)C1CNC1 925734350 630047638 /nfs/dbraw/zinc/04/76/38/630047638.db2.gz RABDKEMQMHHMAK-QWRGUYRKSA-N 1 3 198.354 2.010 20 0 AEADHO CCC[C@@H](C)CC[NH2+][C@@H](C)C1CNC1 925734349 630047827 /nfs/dbraw/zinc/04/78/27/630047827.db2.gz RABDKEMQMHHMAK-MNOVXSKESA-N 1 3 198.354 2.010 20 0 AEADHO CCC[C@@H](C)CC[NH2+][C@H](C)C1CNC1 925734348 630048407 /nfs/dbraw/zinc/04/84/07/630048407.db2.gz RABDKEMQMHHMAK-GHMZBOCLSA-N 1 3 198.354 2.010 20 0 AEADHO CC[C@H](C)C[C@@H](CN)[C@H]1CCCC[NH2+]1 238856896 523898566 /nfs/dbraw/zinc/89/85/66/523898566.db2.gz XPBPZMFLTQXTQK-SDDRHHMPSA-N 1 3 198.354 2.140 20 0 AEADHO CC[C@H](C)C[C@H](CN)[C@H]1CCCC[NH2+]1 238856895 523904052 /nfs/dbraw/zinc/90/40/52/523904052.db2.gz XPBPZMFLTQXTQK-QJPTWQEYSA-N 1 3 198.354 2.140 20 0 AEADHO NC1CC([NH2+]CC2CCCCCC2)C1 307374386 630163055 /nfs/dbraw/zinc/16/30/55/630163055.db2.gz XXNPSVUMUJTBOF-UHFFFAOYSA-N 1 3 196.338 2.036 20 0 AEADHO CCCCC[C@@H](C)[NH2+]C[C@H](C)CN 54345862 630259119 /nfs/dbraw/zinc/25/91/19/630259119.db2.gz MVVLEWJDNIXVRE-GHMZBOCLSA-N 1 3 186.343 2.140 20 0 AEADHO CCCCC[C@H](C)[NH2+]C[C@H](C)CN 54345865 630260113 /nfs/dbraw/zinc/26/01/13/630260113.db2.gz MVVLEWJDNIXVRE-MNOVXSKESA-N 1 3 186.343 2.140 20 0 AEADHO CCCCC[C@H](C)[NH2+]C[C@@H](C)CN 54345858 630261514 /nfs/dbraw/zinc/26/15/14/630261514.db2.gz MVVLEWJDNIXVRE-QWRGUYRKSA-N 1 3 186.343 2.140 20 0 AEADHO N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 906508747 630753413 /nfs/dbraw/zinc/75/34/13/630753413.db2.gz XXNPSVUMUJTBOF-HAQNSBGRSA-N 1 3 196.338 2.036 20 0 AEADHO CCCCCC[N@@H+]1CC[C@@](C)(CN)C1 232937457 630820214 /nfs/dbraw/zinc/82/02/14/630820214.db2.gz LQUGMGRLGGXWME-LBPRGKRZSA-N 1 3 198.354 2.237 20 0 AEADHO CCCCCC[N@H+]1CC[C@@](C)(CN)C1 232937457 630820222 /nfs/dbraw/zinc/82/02/22/630820222.db2.gz LQUGMGRLGGXWME-LBPRGKRZSA-N 1 3 198.354 2.237 20 0 AEADHO CCCCCC[N@@H+]1CC[C@](C)(CN)C1 232937828 630821629 /nfs/dbraw/zinc/82/16/29/630821629.db2.gz LQUGMGRLGGXWME-GFCCVEGCSA-N 1 3 198.354 2.237 20 0 AEADHO CCCCCC[N@H+]1CC[C@](C)(CN)C1 232937828 630821633 /nfs/dbraw/zinc/82/16/33/630821633.db2.gz LQUGMGRLGGXWME-GFCCVEGCSA-N 1 3 198.354 2.237 20 0 AEADHO CCCC[NH2+]CCCN(C)C(C)C 221791430 630831242 /nfs/dbraw/zinc/83/12/42/630831242.db2.gz BWILUNIBAMGMIX-UHFFFAOYSA-N 1 3 186.343 2.106 20 0 AEADHO CC[NH2+]CCNC1CCCCCCC1 58851778 630850236 /nfs/dbraw/zinc/85/02/36/630850236.db2.gz SITLKJZELHCUFF-UHFFFAOYSA-N 1 3 198.354 2.298 20 0 AEADHO C[N@H+](CCCN)C1CCCCCCC1 227744305 630859165 /nfs/dbraw/zinc/85/91/65/630859165.db2.gz ZDFWCNYJOKXCAG-UHFFFAOYSA-N 1 3 198.354 2.380 20 0 AEADHO C[N@@H+](CCCN)C1CCCCCCC1 227744305 630859174 /nfs/dbraw/zinc/85/91/74/630859174.db2.gz ZDFWCNYJOKXCAG-UHFFFAOYSA-N 1 3 198.354 2.380 20 0 AEADHO CC[C@H]([NH2+]CC[C@H](C)N(C)C)C1CC1 700507565 630880649 /nfs/dbraw/zinc/88/06/49/630880649.db2.gz LFMSKXLUXCAPRB-JQWIXIFHSA-N 1 3 198.354 2.105 20 0 AEADHO C[C@@H]1CC[C@@H]([NH2+]CC[C@@H](C)N(C)C)C1 700508878 630881216 /nfs/dbraw/zinc/88/12/16/630881216.db2.gz ZCAGNBRWZRQMQK-IJLUTSLNSA-N 1 3 198.354 2.105 20 0 AEADHO CC[C@H]([NH2+]CC[C@@H](C)N(C)C)C1CC1 700507566 630881289 /nfs/dbraw/zinc/88/12/89/630881289.db2.gz LFMSKXLUXCAPRB-PWSUYJOCSA-N 1 3 198.354 2.105 20 0 AEADHO C[C@@H](CC[NH2+][C@H]1CC[C@@H](C)C1)N(C)C 700508880 630881587 /nfs/dbraw/zinc/88/15/87/630881587.db2.gz ZCAGNBRWZRQMQK-WOPDTQHZSA-N 1 3 198.354 2.105 20 0 AEADHO C[C@@H](CC[NH2+][C@@H]1CC[C@@H](C)C1)N(C)C 700508877 630881736 /nfs/dbraw/zinc/88/17/36/630881736.db2.gz ZCAGNBRWZRQMQK-GRYCIOLGSA-N 1 3 198.354 2.105 20 0 AEADHO CC[C@@H]([NH2+]CC[C@H](C)N(C)C)C1CC1 700507564 630881793 /nfs/dbraw/zinc/88/17/93/630881793.db2.gz LFMSKXLUXCAPRB-CMPLNLGQSA-N 1 3 198.354 2.105 20 0 AEADHO CC[C@@H]([NH2+]CC[C@@H](C)N(C)C)C1CC1 700507567 630882302 /nfs/dbraw/zinc/88/23/02/630882302.db2.gz LFMSKXLUXCAPRB-ZYHUDNBSSA-N 1 3 198.354 2.105 20 0 AEADHO C[C@@H]1CC[C@H]([NH2+]CC[C@@H](C)N(C)C)C1 700508879 630882654 /nfs/dbraw/zinc/88/26/54/630882654.db2.gz ZCAGNBRWZRQMQK-UTUOFQBUSA-N 1 3 198.354 2.105 20 0 AEADHO CCC[N@H+](CC)C[C@]1(C)CCCNC1 62861921 630882829 /nfs/dbraw/zinc/88/28/29/630882829.db2.gz MKNWCTCMMVYTPB-GFCCVEGCSA-N 1 3 198.354 2.108 20 0 AEADHO CCC[N@@H+](CC)C[C@]1(C)CCCNC1 62861921 630882835 /nfs/dbraw/zinc/88/28/35/630882835.db2.gz MKNWCTCMMVYTPB-GFCCVEGCSA-N 1 3 198.354 2.108 20 0 AEADHO CCC[N@@H+](CC)C[C@@]1(C)CCCNC1 62861922 630883919 /nfs/dbraw/zinc/88/39/19/630883919.db2.gz MKNWCTCMMVYTPB-LBPRGKRZSA-N 1 3 198.354 2.108 20 0 AEADHO CCC[N@H+](CC)C[C@@]1(C)CCCNC1 62861922 630883918 /nfs/dbraw/zinc/88/39/18/630883918.db2.gz MKNWCTCMMVYTPB-LBPRGKRZSA-N 1 3 198.354 2.108 20 0 AEADHO CC[N@H+](C[C@]1(C)CCCNC1)C(C)C 62861903 630884217 /nfs/dbraw/zinc/88/42/17/630884217.db2.gz ROOJDBJBZKKRJX-GFCCVEGCSA-N 1 3 198.354 2.106 20 0 AEADHO CC[N@@H+](C[C@]1(C)CCCNC1)C(C)C 62861903 630884224 /nfs/dbraw/zinc/88/42/24/630884224.db2.gz ROOJDBJBZKKRJX-GFCCVEGCSA-N 1 3 198.354 2.106 20 0 AEADHO CC[N@H+](C[C@@]1(C)CCCNC1)C(C)C 62861904 630884309 /nfs/dbraw/zinc/88/43/09/630884309.db2.gz ROOJDBJBZKKRJX-LBPRGKRZSA-N 1 3 198.354 2.106 20 0 AEADHO CC[N@@H+](C[C@@]1(C)CCCNC1)C(C)C 62861904 630884312 /nfs/dbraw/zinc/88/43/12/630884312.db2.gz ROOJDBJBZKKRJX-LBPRGKRZSA-N 1 3 198.354 2.106 20 0 AEADHO CCCCN(C)C[C@]1(C)CCC[NH2+]C1 62861703 630885320 /nfs/dbraw/zinc/88/53/20/630885320.db2.gz YCTQZRXYVNHGLO-GFCCVEGCSA-N 1 3 198.354 2.108 20 0 AEADHO CCCC[N@H+](C)C[C@]1(C)CCCNC1 62861703 630885329 /nfs/dbraw/zinc/88/53/29/630885329.db2.gz YCTQZRXYVNHGLO-GFCCVEGCSA-N 1 3 198.354 2.108 20 0 AEADHO CCCC[N@@H+](C)C[C@]1(C)CCCNC1 62861703 630885333 /nfs/dbraw/zinc/88/53/33/630885333.db2.gz YCTQZRXYVNHGLO-GFCCVEGCSA-N 1 3 198.354 2.108 20 0 AEADHO C[NH2+]C[C@H](C)N[C@@H](C)CC(C)(C)C 854232001 630986011 /nfs/dbraw/zinc/98/60/11/630986011.db2.gz MUTRTVKPEZLBNM-UWVGGRQHSA-N 1 3 186.343 2.009 20 0 AEADHO C[NH2+]C[C@@H](C)N[C@@H](C)CC(C)(C)C 854232002 630986876 /nfs/dbraw/zinc/98/68/76/630986876.db2.gz MUTRTVKPEZLBNM-VHSXEESVSA-N 1 3 186.343 2.009 20 0 AEADHO C[NH2+]C[C@@H](C)N[C@H](C)CC(C)(C)C 854232000 630988623 /nfs/dbraw/zinc/98/86/23/630988623.db2.gz MUTRTVKPEZLBNM-NXEZZACHSA-N 1 3 186.343 2.009 20 0 AEADHO C[NH2+]C[C@H](C)N[C@H](C)CC(C)(C)C 854232003 630989536 /nfs/dbraw/zinc/98/95/36/630989536.db2.gz MUTRTVKPEZLBNM-ZJUUUORDSA-N 1 3 186.343 2.009 20 0 AEADHO NC[C@@H]1CCC[C@H]1[NH2+]C1CCCCC1 84217300 527216767 /nfs/dbraw/zinc/21/67/67/527216767.db2.gz PTJZOYUTSWWNMD-CMPLNLGQSA-N 1 3 196.338 2.036 20 0 AEADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CCCC1 84215414 527233233 /nfs/dbraw/zinc/23/32/33/527233233.db2.gz RTUFAYPAELAHGF-ZYHUDNBSSA-N 1 3 196.338 2.036 20 0 AEADHO NC[C@H]1CCC[C@@H]1[NH2+]C1CCCCC1 84217298 527235150 /nfs/dbraw/zinc/23/51/50/527235150.db2.gz PTJZOYUTSWWNMD-PWSUYJOCSA-N 1 3 196.338 2.036 20 0 AEADHO